USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 907 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 566 THR OG1 : rot 180:sc= -0.0964 USER MOD Set 1.2: A 570 GLN : amide:sc= 0.44 X(o=0.34,f=0.054) USER MOD Set 2.1: A 565 TYR OH : rot 144:sc= 0.332 USER MOD Set 2.2: A 616 HIS : no HD1:sc= -0.317 X(o=0.015,f=-0.37) USER MOD Set 3.1: A 563 MET CE :methyl 154:sc= -4.27 (180deg=-6.46!) USER MOD Set 3.2: A 572 MET CE :methyl -163:sc= -3.26 (180deg=-3.63) USER MOD Set 4.1: A 556 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 558 GLN : amide:sc= -0.571 K(o=-0.57,f=-4.1!) USER MOD Set 5.1: A 553 MET CE :methyl -166:sc= 0 (180deg=-0.204) USER MOD Set 5.2: A 596 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 548 THR OG1 : rot -120:sc= -3.11! USER MOD Set 6.2: A 549 ASN : amide:sc= -0.63 K(o=-3.7,f=-4.5) USER MOD Set 7.1: A 514 GLN : amide:sc= -1.39 K(o=-1,f=-7.2!) USER MOD Set 7.2: A 597 LYS NZ :NH3+ 165:sc= 0.397 (180deg=-0.335) USER MOD Set 8.1: A 512 MET CE :methyl 157:sc= -0.384 (180deg=-1.41) USER MOD Set 8.2: A 600 GLN : amide:sc= -0.0362 K(o=-0.42,f=-0.99) USER MOD Single : A 516 LYS NZ :NH3+ 165:sc= 0.813 (180deg=0.705) USER MOD Single : A 523 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-3!) USER MOD Single : A 525 CYS SG : rot -27:sc= 1.32 USER MOD Single : A 526 ASN : amide:sc= -0.849 K(o=-0.85,f=0) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 532 CYS SG : rot 80:sc= -3.42! USER MOD Single : A 533 THR OG1 : rot -76:sc= 1.56 USER MOD Single : A 535 ASN : amide:sc= -0.0173 K(o=-0.017,f=-4!) USER MOD Single : A 539 ASN : amide:sc= -0.234 K(o=-0.23,f=-4.1!) USER MOD Single : A 546 LYS NZ :NH3+ 163:sc= -0.094 (180deg=-0.443) USER MOD Single : A 550 TYR OH : rot 36:sc= 1.21 USER MOD Single : A 554 LYS NZ :NH3+ -160:sc= -0.058 (180deg=-0.407) USER MOD Single : A 555 SER OG : rot 180:sc= 0 USER MOD Single : A 557 ASN : amide:sc= 0 X(o=0,f=0.098) USER MOD Single : A 574 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 575 TYR OH : rot 180:sc= 0 USER MOD Single : A 576 TYR OH : rot 90:sc= 0.603 USER MOD Single : A 577 GLN : amide:sc= -0.335 K(o=-0.34,f=-2.4!) USER MOD Single : A 579 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.1) USER MOD Single : A 587 LYS NZ :NH3+ -164:sc= -0.0476 (180deg=-0.291) USER MOD Single : A 592 MET CE :methyl -165:sc= -3.84 (180deg=-4.33!) USER MOD Single : A 593 SER OG : rot 180:sc= 0.0989 USER MOD Single : A 594 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 602 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0517) USER MOD Single : A 603 LYS NZ :NH3+ 165:sc= -0.0277 (180deg=-0.262) USER MOD Single : A 606 LYS NZ :NH3+ 161:sc= 0.888 (180deg=0.668) USER MOD Single : A 607 ASN : amide:sc= 0.477 K(o=0.48,f=-3!) USER MOD Single : A 613 GLN : amide:sc= -0.0759 X(o=-0.076,f=-0.22) USER MOD Single : A 617 SER OG : rot -150:sc= -0.0188 USER MOD Single : A 618 GLN : amide:sc= -0.0995 X(o=-0.1,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 510 15.912 -6.731 4.216 1.00 6.72 N ATOM 2 CA GLY A 510 14.632 -7.474 4.248 1.00 6.11 C ATOM 3 C GLY A 510 13.614 -6.878 3.301 1.00 5.41 C ATOM 4 O GLY A 510 13.791 -5.756 2.819 1.00 5.49 O ATOM 0 HA2 GLY A 510 14.810 -8.516 3.982 1.00 6.11 H new ATOM 0 HA3 GLY A 510 14.233 -7.467 5.262 1.00 6.11 H new ATOM 10 N ALA A 511 12.546 -7.619 3.039 1.00 5.07 N ATOM 11 CA ALA A 511 11.493 -7.158 2.145 1.00 4.74 C ATOM 12 C ALA A 511 10.589 -6.168 2.862 1.00 3.92 C ATOM 13 O ALA A 511 9.593 -6.551 3.475 1.00 4.05 O ATOM 14 CB ALA A 511 10.683 -8.336 1.627 1.00 5.43 C ATOM 0 H ALA A 511 12.386 -8.545 3.435 1.00 5.07 H new ATOM 0 HA ALA A 511 11.954 -6.656 1.295 1.00 4.74 H new ATOM 0 HB1 ALA A 511 9.900 -7.974 0.960 1.00 5.43 H new ATOM 0 HB2 ALA A 511 11.338 -9.016 1.082 1.00 5.43 H new ATOM 0 HB3 ALA A 511 10.230 -8.863 2.467 1.00 5.43 H new ATOM 20 N MET A 512 10.954 -4.898 2.798 1.00 3.55 N ATOM 21 CA MET A 512 10.205 -3.852 3.473 1.00 3.19 C ATOM 22 C MET A 512 10.415 -2.519 2.773 1.00 2.53 C ATOM 23 O MET A 512 11.252 -2.406 1.874 1.00 2.66 O ATOM 24 CB MET A 512 10.632 -3.757 4.940 1.00 3.90 C ATOM 25 CG MET A 512 12.087 -3.355 5.129 1.00 4.46 C ATOM 26 SD MET A 512 12.667 -3.623 6.814 1.00 5.50 S ATOM 27 CE MET A 512 12.584 -5.410 6.906 1.00 6.23 C ATOM 0 H MET A 512 11.769 -4.566 2.282 1.00 3.55 H new ATOM 0 HA MET A 512 9.144 -4.101 3.435 1.00 3.19 H new ATOM 0 HB2 MET A 512 9.995 -3.033 5.448 1.00 3.90 H new ATOM 0 HB3 MET A 512 10.465 -4.721 5.421 1.00 3.90 H new ATOM 0 HG2 MET A 512 12.710 -3.925 4.439 1.00 4.46 H new ATOM 0 HG3 MET A 512 12.206 -2.303 4.871 1.00 4.46 H new ATOM 0 HE1 MET A 512 13.262 -5.766 7.681 1.00 6.23 H new ATOM 0 HE2 MET A 512 11.566 -5.715 7.147 1.00 6.23 H new ATOM 0 HE3 MET A 512 12.873 -5.838 5.946 1.00 6.23 H new ATOM 37 N ALA A 513 9.662 -1.514 3.187 1.00 2.28 N ATOM 38 CA ALA A 513 9.735 -0.206 2.563 1.00 1.87 C ATOM 39 C ALA A 513 10.620 0.746 3.363 1.00 1.74 C ATOM 40 O ALA A 513 11.705 0.365 3.809 1.00 2.04 O ATOM 41 CB ALA A 513 8.337 0.362 2.393 1.00 2.09 C ATOM 0 H ALA A 513 8.993 -1.580 3.954 1.00 2.28 H new ATOM 0 HA ALA A 513 10.192 -0.319 1.580 1.00 1.87 H new ATOM 0 HB1 ALA A 513 8.398 1.344 1.924 1.00 2.09 H new ATOM 0 HB2 ALA A 513 7.747 -0.305 1.764 1.00 2.09 H new ATOM 0 HB3 ALA A 513 7.861 0.455 3.369 1.00 2.09 H new ATOM 47 N GLN A 514 10.155 1.993 3.514 1.00 1.72 N ATOM 48 CA GLN A 514 10.911 3.062 4.178 1.00 1.96 C ATOM 49 C GLN A 514 12.111 3.479 3.336 1.00 1.56 C ATOM 50 O GLN A 514 12.937 4.281 3.762 1.00 2.04 O ATOM 51 CB GLN A 514 11.376 2.644 5.574 1.00 2.59 C ATOM 52 CG GLN A 514 10.242 2.311 6.528 1.00 3.66 C ATOM 53 CD GLN A 514 10.736 1.930 7.908 1.00 4.48 C ATOM 54 OE1 GLN A 514 10.079 2.206 8.911 1.00 4.92 O ATOM 55 NE2 GLN A 514 11.891 1.286 7.970 1.00 5.14 N ATOM 0 H GLN A 514 9.239 2.290 3.177 1.00 1.72 H new ATOM 0 HA GLN A 514 10.238 3.912 4.286 1.00 1.96 H new ATOM 0 HB2 GLN A 514 12.028 1.775 5.484 1.00 2.59 H new ATOM 0 HB3 GLN A 514 11.974 3.448 6.003 1.00 2.59 H new ATOM 0 HG2 GLN A 514 9.576 3.170 6.609 1.00 3.66 H new ATOM 0 HG3 GLN A 514 9.655 1.490 6.117 1.00 3.66 H new ATOM 0 HE21 GLN A 514 12.405 1.076 7.114 1.00 5.14 H new ATOM 0 HE22 GLN A 514 12.267 0.999 8.874 1.00 5.14 H new ATOM 64 N ARG A 515 12.181 2.942 2.126 1.00 1.77 N ATOM 65 CA ARG A 515 13.287 3.212 1.219 1.00 2.51 C ATOM 66 C ARG A 515 13.282 4.669 0.781 1.00 2.36 C ATOM 67 O ARG A 515 14.328 5.308 0.683 1.00 3.08 O ATOM 68 CB ARG A 515 13.189 2.296 -0.002 1.00 3.41 C ATOM 69 CG ARG A 515 13.196 0.815 0.348 1.00 3.98 C ATOM 70 CD ARG A 515 14.458 0.438 1.112 1.00 4.69 C ATOM 71 NE ARG A 515 14.550 -0.998 1.357 1.00 5.20 N ATOM 72 CZ ARG A 515 15.210 -1.536 2.381 1.00 5.89 C ATOM 73 NH1 ARG A 515 15.789 -0.759 3.290 1.00 6.16 N ATOM 74 NH2 ARG A 515 15.291 -2.854 2.491 1.00 6.60 N ATOM 0 H ARG A 515 11.476 2.310 1.747 1.00 1.77 H new ATOM 0 HA ARG A 515 14.223 3.016 1.743 1.00 2.51 H new ATOM 0 HB2 ARG A 515 12.274 2.528 -0.548 1.00 3.41 H new ATOM 0 HB3 ARG A 515 14.022 2.507 -0.672 1.00 3.41 H new ATOM 0 HG2 ARG A 515 12.318 0.576 0.949 1.00 3.98 H new ATOM 0 HG3 ARG A 515 13.129 0.222 -0.564 1.00 3.98 H new ATOM 0 HD2 ARG A 515 15.332 0.765 0.549 1.00 4.69 H new ATOM 0 HD3 ARG A 515 14.476 0.968 2.064 1.00 4.69 H new ATOM 0 HE ARG A 515 14.081 -1.627 0.705 1.00 5.20 H new ATOM 0 HH11 ARG A 515 15.729 0.256 3.206 1.00 6.16 H new ATOM 0 HH12 ARG A 515 16.293 -1.177 4.072 1.00 6.16 H new ATOM 0 HH21 ARG A 515 14.849 -3.452 1.793 1.00 6.60 H new ATOM 0 HH22 ARG A 515 15.795 -3.270 3.274 1.00 6.60 H new ATOM 88 N LYS A 516 12.090 5.187 0.527 1.00 1.89 N ATOM 89 CA LYS A 516 11.928 6.578 0.127 1.00 2.04 C ATOM 90 C LYS A 516 11.847 7.494 1.346 1.00 2.12 C ATOM 91 O LYS A 516 11.717 8.710 1.210 1.00 2.60 O ATOM 92 CB LYS A 516 10.678 6.759 -0.741 1.00 2.27 C ATOM 93 CG LYS A 516 10.800 6.255 -2.178 1.00 2.95 C ATOM 94 CD LYS A 516 11.053 4.756 -2.270 1.00 3.65 C ATOM 95 CE LYS A 516 10.947 4.275 -3.709 1.00 4.50 C ATOM 96 NZ LYS A 516 11.447 2.884 -3.882 1.00 5.25 N ATOM 0 H LYS A 516 11.217 4.663 0.591 1.00 1.89 H new ATOM 0 HA LYS A 516 12.805 6.852 -0.459 1.00 2.04 H new ATOM 0 HB2 LYS A 516 9.846 6.243 -0.262 1.00 2.27 H new ATOM 0 HB3 LYS A 516 10.424 7.819 -0.766 1.00 2.27 H new ATOM 0 HG2 LYS A 516 9.885 6.496 -2.719 1.00 2.95 H new ATOM 0 HG3 LYS A 516 11.613 6.785 -2.674 1.00 2.95 H new ATOM 0 HD2 LYS A 516 12.043 4.526 -1.877 1.00 3.65 H new ATOM 0 HD3 LYS A 516 10.332 4.223 -1.650 1.00 3.65 H new ATOM 0 HE2 LYS A 516 9.907 4.327 -4.030 1.00 4.50 H new ATOM 0 HE3 LYS A 516 11.514 4.945 -4.356 1.00 4.50 H new ATOM 0 HZ1 LYS A 516 11.128 2.512 -4.799 1.00 5.25 H new ATOM 0 HZ2 LYS A 516 12.487 2.882 -3.850 1.00 5.25 H new ATOM 0 HZ3 LYS A 516 11.076 2.284 -3.117 1.00 5.25 H new ATOM 110 N GLY A 517 11.924 6.911 2.535 1.00 2.45 N ATOM 111 CA GLY A 517 11.900 7.709 3.743 1.00 3.03 C ATOM 112 C GLY A 517 11.016 7.125 4.820 1.00 2.73 C ATOM 113 O GLY A 517 11.463 6.308 5.625 1.00 3.29 O ATOM 0 H GLY A 517 12.002 5.905 2.683 1.00 2.45 H new ATOM 0 HA2 GLY A 517 12.915 7.806 4.127 1.00 3.03 H new ATOM 0 HA3 GLY A 517 11.553 8.714 3.501 1.00 3.03 H new ATOM 117 N ALA A 518 9.758 7.533 4.824 1.00 2.05 N ATOM 118 CA ALA A 518 8.836 7.164 5.887 1.00 1.89 C ATOM 119 C ALA A 518 8.386 5.718 5.773 1.00 1.38 C ATOM 120 O ALA A 518 8.707 4.900 6.635 1.00 1.92 O ATOM 121 CB ALA A 518 7.628 8.083 5.877 1.00 2.38 C ATOM 0 H ALA A 518 9.349 8.123 4.099 1.00 2.05 H new ATOM 0 HA ALA A 518 9.369 7.272 6.832 1.00 1.89 H new ATOM 0 HB1 ALA A 518 6.946 7.796 6.677 1.00 2.38 H new ATOM 0 HB2 ALA A 518 7.953 9.112 6.029 1.00 2.38 H new ATOM 0 HB3 ALA A 518 7.117 8.001 4.918 1.00 2.38 H new ATOM 127 N GLY A 519 7.656 5.404 4.710 1.00 1.20 N ATOM 128 CA GLY A 519 7.053 4.092 4.593 1.00 1.57 C ATOM 129 C GLY A 519 5.894 3.934 5.555 1.00 1.34 C ATOM 130 O GLY A 519 6.099 3.728 6.756 1.00 1.58 O ATOM 0 H GLY A 519 7.472 6.033 3.929 1.00 1.20 H new ATOM 0 HA2 GLY A 519 6.705 3.939 3.572 1.00 1.57 H new ATOM 0 HA3 GLY A 519 7.802 3.326 4.793 1.00 1.57 H new ATOM 134 N ARG A 520 4.682 4.062 5.036 1.00 1.03 N ATOM 135 CA ARG A 520 3.484 3.965 5.853 1.00 0.79 C ATOM 136 C ARG A 520 2.435 3.116 5.156 1.00 0.59 C ATOM 137 O ARG A 520 2.239 3.219 3.943 1.00 0.65 O ATOM 138 CB ARG A 520 2.919 5.354 6.167 1.00 0.75 C ATOM 139 CG ARG A 520 3.761 6.142 7.158 1.00 0.92 C ATOM 140 CD ARG A 520 3.151 7.502 7.465 1.00 0.99 C ATOM 141 NE ARG A 520 1.782 7.402 7.974 1.00 1.42 N ATOM 142 CZ ARG A 520 1.112 8.417 8.524 1.00 1.55 C ATOM 143 NH1 ARG A 520 1.714 9.581 8.738 1.00 1.28 N ATOM 144 NH2 ARG A 520 -0.153 8.259 8.890 1.00 2.39 N ATOM 0 H ARG A 520 4.503 4.234 4.047 1.00 1.03 H new ATOM 0 HA ARG A 520 3.755 3.487 6.794 1.00 0.79 H new ATOM 0 HB2 ARG A 520 2.837 5.922 5.240 1.00 0.75 H new ATOM 0 HB3 ARG A 520 1.910 5.246 6.565 1.00 0.75 H new ATOM 0 HG2 ARG A 520 3.862 5.573 8.082 1.00 0.92 H new ATOM 0 HG3 ARG A 520 4.765 6.277 6.755 1.00 0.92 H new ATOM 0 HD2 ARG A 520 3.771 8.017 8.199 1.00 0.99 H new ATOM 0 HD3 ARG A 520 3.155 8.111 6.561 1.00 0.99 H new ATOM 0 HE ARG A 520 1.311 6.500 7.904 1.00 1.42 H new ATOM 0 HH11 ARG A 520 2.694 9.703 8.482 1.00 1.28 H new ATOM 0 HH12 ARG A 520 1.197 10.353 9.159 1.00 1.28 H new ATOM 0 HH21 ARG A 520 -0.616 7.361 8.751 1.00 2.39 H new ATOM 0 HH22 ARG A 520 -0.663 9.036 9.310 1.00 2.39 H new ATOM 158 N VAL A 521 1.734 2.314 5.940 1.00 0.44 N ATOM 159 CA VAL A 521 0.785 1.360 5.400 1.00 0.28 C ATOM 160 C VAL A 521 -0.629 1.918 5.389 1.00 0.24 C ATOM 161 O VAL A 521 -1.092 2.522 6.363 1.00 0.32 O ATOM 162 CB VAL A 521 0.796 0.043 6.203 1.00 0.21 C ATOM 163 CG1 VAL A 521 -0.205 -0.957 5.640 1.00 0.21 C ATOM 164 CG2 VAL A 521 2.188 -0.556 6.217 1.00 0.26 C ATOM 0 H VAL A 521 1.806 2.306 6.957 1.00 0.44 H new ATOM 0 HA VAL A 521 1.096 1.162 4.374 1.00 0.28 H new ATOM 0 HB VAL A 521 0.501 0.273 7.227 1.00 0.21 H new ATOM 0 HG11 VAL A 521 -0.173 -1.874 6.228 1.00 0.21 H new ATOM 0 HG12 VAL A 521 -1.208 -0.532 5.685 1.00 0.21 H new ATOM 0 HG13 VAL A 521 0.048 -1.181 4.604 1.00 0.21 H new ATOM 0 HG21 VAL A 521 2.179 -1.485 6.788 1.00 0.26 H new ATOM 0 HG22 VAL A 521 2.506 -0.761 5.195 1.00 0.26 H new ATOM 0 HG23 VAL A 521 2.882 0.147 6.679 1.00 0.26 H new ATOM 174 N VAL A 522 -1.296 1.721 4.269 1.00 0.19 N ATOM 175 CA VAL A 522 -2.699 2.039 4.124 1.00 0.17 C ATOM 176 C VAL A 522 -3.503 0.749 4.154 1.00 0.17 C ATOM 177 O VAL A 522 -3.127 -0.228 3.514 1.00 0.19 O ATOM 178 CB VAL A 522 -2.967 2.771 2.795 1.00 0.19 C ATOM 179 CG1 VAL A 522 -4.439 3.065 2.624 1.00 0.21 C ATOM 180 CG2 VAL A 522 -2.156 4.049 2.712 1.00 0.25 C ATOM 0 H VAL A 522 -0.873 1.332 3.427 1.00 0.19 H new ATOM 0 HA VAL A 522 -2.994 2.694 4.944 1.00 0.17 H new ATOM 0 HB VAL A 522 -2.657 2.113 1.983 1.00 0.19 H new ATOM 0 HG11 VAL A 522 -4.599 3.582 1.678 1.00 0.21 H new ATOM 0 HG12 VAL A 522 -4.999 2.130 2.626 1.00 0.21 H new ATOM 0 HG13 VAL A 522 -4.782 3.695 3.444 1.00 0.21 H new ATOM 0 HG21 VAL A 522 -2.361 4.549 1.765 1.00 0.25 H new ATOM 0 HG22 VAL A 522 -2.429 4.707 3.537 1.00 0.25 H new ATOM 0 HG23 VAL A 522 -1.094 3.811 2.774 1.00 0.25 H new ATOM 190 N HIS A 523 -4.587 0.724 4.904 1.00 0.20 N ATOM 191 CA HIS A 523 -5.402 -0.474 4.968 1.00 0.26 C ATOM 192 C HIS A 523 -6.712 -0.244 4.227 1.00 0.23 C ATOM 193 O HIS A 523 -7.334 0.813 4.346 1.00 0.28 O ATOM 194 CB HIS A 523 -5.640 -0.918 6.424 1.00 0.39 C ATOM 195 CG HIS A 523 -6.825 -0.298 7.106 1.00 0.61 C ATOM 196 ND1 HIS A 523 -6.735 0.762 7.978 1.00 1.15 N ATOM 197 CD2 HIS A 523 -8.132 -0.636 7.064 1.00 1.21 C ATOM 198 CE1 HIS A 523 -7.934 1.044 8.445 1.00 1.67 C ATOM 199 NE2 HIS A 523 -8.804 0.210 7.908 1.00 1.75 N ATOM 0 H HIS A 523 -4.920 1.505 5.469 1.00 0.20 H new ATOM 0 HA HIS A 523 -4.867 -1.288 4.479 1.00 0.26 H new ATOM 0 HB2 HIS A 523 -5.760 -2.001 6.440 1.00 0.39 H new ATOM 0 HB3 HIS A 523 -4.747 -0.688 7.006 1.00 0.39 H new ATOM 0 HD2 HIS A 523 -8.568 -1.428 6.473 1.00 1.21 H new ATOM 0 HE1 HIS A 523 -8.166 1.828 9.151 1.00 1.67 H new ATOM 0 HE2 HIS A 523 -9.808 0.197 8.090 1.00 1.75 H new ATOM 208 N ILE A 524 -7.115 -1.229 3.456 1.00 0.21 N ATOM 209 CA ILE A 524 -8.333 -1.139 2.682 1.00 0.22 C ATOM 210 C ILE A 524 -9.355 -2.145 3.188 1.00 0.27 C ATOM 211 O ILE A 524 -9.030 -3.310 3.425 1.00 0.28 O ATOM 212 CB ILE A 524 -8.046 -1.350 1.181 1.00 0.21 C ATOM 213 CG1 ILE A 524 -7.100 -0.251 0.687 1.00 0.22 C ATOM 214 CG2 ILE A 524 -9.337 -1.358 0.375 1.00 0.24 C ATOM 215 CD1 ILE A 524 -6.696 -0.388 -0.762 1.00 0.26 C ATOM 0 H ILE A 524 -6.612 -2.110 3.348 1.00 0.21 H new ATOM 0 HA ILE A 524 -8.747 -0.138 2.804 1.00 0.22 H new ATOM 0 HB ILE A 524 -7.570 -2.321 1.043 1.00 0.21 H new ATOM 0 HG12 ILE A 524 -7.580 0.717 0.829 1.00 0.22 H new ATOM 0 HG13 ILE A 524 -6.202 -0.255 1.305 1.00 0.22 H new ATOM 0 HG21 ILE A 524 -9.107 -1.508 -0.680 1.00 0.24 H new ATOM 0 HG22 ILE A 524 -9.979 -2.166 0.725 1.00 0.24 H new ATOM 0 HG23 ILE A 524 -9.851 -0.405 0.502 1.00 0.24 H new ATOM 0 HD11 ILE A 524 -6.027 0.429 -1.032 1.00 0.26 H new ATOM 0 HD12 ILE A 524 -6.185 -1.340 -0.909 1.00 0.26 H new ATOM 0 HD13 ILE A 524 -7.584 -0.352 -1.392 1.00 0.26 H new ATOM 227 N CYS A 525 -10.574 -1.674 3.385 1.00 0.33 N ATOM 228 CA CYS A 525 -11.640 -2.496 3.927 1.00 0.40 C ATOM 229 C CYS A 525 -12.860 -2.454 3.015 1.00 0.43 C ATOM 230 O CYS A 525 -12.857 -1.737 2.010 1.00 0.44 O ATOM 231 CB CYS A 525 -12.001 -2.025 5.336 1.00 0.51 C ATOM 232 SG CYS A 525 -12.352 -0.256 5.465 1.00 1.28 S ATOM 0 H CYS A 525 -10.851 -0.715 3.175 1.00 0.33 H new ATOM 0 HA CYS A 525 -11.294 -3.528 3.985 1.00 0.40 H new ATOM 0 HB2 CYS A 525 -12.873 -2.582 5.680 1.00 0.51 H new ATOM 0 HB3 CYS A 525 -11.180 -2.270 6.009 1.00 0.51 H new ATOM 0 HG CYS A 525 -11.709 0.383 4.534 1.00 1.28 H new ATOM 238 N ASN A 526 -13.888 -3.230 3.371 1.00 0.49 N ATOM 239 CA ASN A 526 -15.113 -3.345 2.574 1.00 0.54 C ATOM 240 C ASN A 526 -14.833 -4.089 1.276 1.00 0.49 C ATOM 241 O ASN A 526 -15.536 -3.910 0.279 1.00 0.49 O ATOM 242 CB ASN A 526 -15.720 -1.966 2.260 1.00 0.58 C ATOM 243 CG ASN A 526 -16.106 -1.173 3.496 1.00 0.68 C ATOM 244 OD1 ASN A 526 -16.026 0.055 3.505 1.00 1.22 O ATOM 245 ND2 ASN A 526 -16.542 -1.859 4.540 1.00 1.16 N ATOM 0 H ASN A 526 -13.894 -3.796 4.220 1.00 0.49 H new ATOM 0 HA ASN A 526 -15.835 -3.906 3.167 1.00 0.54 H new ATOM 0 HB2 ASN A 526 -15.003 -1.388 1.677 1.00 0.58 H new ATOM 0 HB3 ASN A 526 -16.603 -2.101 1.636 1.00 0.58 H new ATOM 0 HD21 ASN A 526 -16.826 -1.370 5.389 1.00 1.16 H new ATOM 0 HD22 ASN A 526 -16.595 -2.877 4.496 1.00 1.16 H new ATOM 252 N LEU A 527 -13.817 -4.940 1.307 1.00 0.46 N ATOM 253 CA LEU A 527 -13.383 -5.662 0.120 1.00 0.43 C ATOM 254 C LEU A 527 -14.196 -6.939 -0.066 1.00 0.50 C ATOM 255 O LEU A 527 -14.227 -7.797 0.819 1.00 0.60 O ATOM 256 CB LEU A 527 -11.893 -6.007 0.252 1.00 0.39 C ATOM 257 CG LEU A 527 -10.943 -4.807 0.209 1.00 0.31 C ATOM 258 CD1 LEU A 527 -9.535 -5.209 0.616 1.00 0.30 C ATOM 259 CD2 LEU A 527 -10.923 -4.206 -1.183 1.00 0.30 C ATOM 0 H LEU A 527 -13.276 -5.148 2.146 1.00 0.46 H new ATOM 0 HA LEU A 527 -13.539 -5.028 -0.753 1.00 0.43 H new ATOM 0 HB2 LEU A 527 -11.741 -6.538 1.192 1.00 0.39 H new ATOM 0 HB3 LEU A 527 -11.622 -6.694 -0.550 1.00 0.39 H new ATOM 0 HG LEU A 527 -11.307 -4.064 0.918 1.00 0.31 H new ATOM 0 HD11 LEU A 527 -8.882 -4.337 0.576 1.00 0.30 H new ATOM 0 HD12 LEU A 527 -9.549 -5.606 1.631 1.00 0.30 H new ATOM 0 HD13 LEU A 527 -9.163 -5.973 -0.067 1.00 0.30 H new ATOM 0 HD21 LEU A 527 -10.244 -3.353 -1.201 1.00 0.30 H new ATOM 0 HD22 LEU A 527 -10.584 -4.956 -1.898 1.00 0.30 H new ATOM 0 HD23 LEU A 527 -11.927 -3.876 -1.451 1.00 0.30 H new ATOM 271 N PRO A 528 -14.890 -7.077 -1.209 1.00 0.50 N ATOM 272 CA PRO A 528 -15.567 -8.323 -1.564 1.00 0.58 C ATOM 273 C PRO A 528 -14.569 -9.433 -1.873 1.00 0.61 C ATOM 274 O PRO A 528 -13.626 -9.241 -2.649 1.00 0.59 O ATOM 275 CB PRO A 528 -16.377 -7.966 -2.820 1.00 0.58 C ATOM 276 CG PRO A 528 -16.377 -6.474 -2.885 1.00 0.62 C ATOM 277 CD PRO A 528 -15.114 -6.027 -2.212 1.00 0.47 C ATOM 0 HA PRO A 528 -16.187 -8.697 -0.749 1.00 0.58 H new ATOM 0 HB2 PRO A 528 -15.926 -8.398 -3.714 1.00 0.58 H new ATOM 0 HB3 PRO A 528 -17.393 -8.356 -2.756 1.00 0.58 H new ATOM 0 HG2 PRO A 528 -16.411 -6.129 -3.918 1.00 0.62 H new ATOM 0 HG3 PRO A 528 -17.253 -6.062 -2.383 1.00 0.62 H new ATOM 0 HD2 PRO A 528 -14.284 -5.956 -2.915 1.00 0.47 H new ATOM 0 HD3 PRO A 528 -15.227 -5.045 -1.752 1.00 0.47 H new ATOM 285 N GLU A 529 -14.787 -10.591 -1.267 1.00 0.72 N ATOM 286 CA GLU A 529 -13.922 -11.746 -1.465 1.00 0.81 C ATOM 287 C GLU A 529 -14.063 -12.312 -2.871 1.00 0.79 C ATOM 288 O GLU A 529 -15.173 -12.453 -3.385 1.00 0.77 O ATOM 289 CB GLU A 529 -14.229 -12.819 -0.424 1.00 0.96 C ATOM 290 CG GLU A 529 -13.847 -12.404 0.986 1.00 1.57 C ATOM 291 CD GLU A 529 -14.227 -13.434 2.022 1.00 2.26 C ATOM 292 OE1 GLU A 529 -15.111 -13.144 2.855 1.00 2.98 O ATOM 293 OE2 GLU A 529 -13.637 -14.534 2.017 1.00 2.50 O ATOM 0 H GLU A 529 -15.564 -10.757 -0.627 1.00 0.72 H new ATOM 0 HA GLU A 529 -12.890 -11.418 -1.342 1.00 0.81 H new ATOM 0 HB2 GLU A 529 -15.294 -13.051 -0.453 1.00 0.96 H new ATOM 0 HB3 GLU A 529 -13.696 -13.733 -0.685 1.00 0.96 H new ATOM 0 HG2 GLU A 529 -12.772 -12.231 1.030 1.00 1.57 H new ATOM 0 HG3 GLU A 529 -14.333 -11.458 1.226 1.00 1.57 H new ATOM 300 N GLY A 530 -12.934 -12.613 -3.491 1.00 0.84 N ATOM 301 CA GLY A 530 -12.940 -13.224 -4.808 1.00 0.88 C ATOM 302 C GLY A 530 -13.059 -12.211 -5.929 1.00 0.83 C ATOM 303 O GLY A 530 -12.743 -12.514 -7.080 1.00 0.94 O ATOM 0 H GLY A 530 -12.005 -12.445 -3.105 1.00 0.84 H new ATOM 0 HA2 GLY A 530 -12.023 -13.798 -4.940 1.00 0.88 H new ATOM 0 HA3 GLY A 530 -13.769 -13.928 -4.872 1.00 0.88 H new ATOM 307 N SER A 531 -13.509 -11.010 -5.599 1.00 0.70 N ATOM 308 CA SER A 531 -13.680 -9.965 -6.596 1.00 0.69 C ATOM 309 C SER A 531 -12.449 -9.069 -6.660 1.00 0.62 C ATOM 310 O SER A 531 -12.063 -8.596 -7.726 1.00 0.64 O ATOM 311 CB SER A 531 -14.907 -9.124 -6.254 1.00 0.70 C ATOM 312 OG SER A 531 -16.011 -9.947 -5.919 1.00 1.17 O ATOM 0 H SER A 531 -13.762 -10.735 -4.650 1.00 0.70 H new ATOM 0 HA SER A 531 -13.816 -10.437 -7.569 1.00 0.69 H new ATOM 0 HB2 SER A 531 -14.677 -8.461 -5.420 1.00 0.70 H new ATOM 0 HB3 SER A 531 -15.166 -8.490 -7.102 1.00 0.70 H new ATOM 0 HG SER A 531 -16.784 -9.385 -5.702 1.00 1.17 H new ATOM 318 N CYS A 532 -11.836 -8.848 -5.509 1.00 0.56 N ATOM 319 CA CYS A 532 -10.678 -7.980 -5.419 1.00 0.52 C ATOM 320 C CYS A 532 -9.400 -8.748 -5.718 1.00 0.44 C ATOM 321 O CYS A 532 -9.172 -9.825 -5.169 1.00 0.47 O ATOM 322 CB CYS A 532 -10.604 -7.362 -4.026 1.00 0.57 C ATOM 323 SG CYS A 532 -12.141 -6.575 -3.505 1.00 0.77 S ATOM 0 H CYS A 532 -12.124 -9.260 -4.622 1.00 0.56 H new ATOM 0 HA CYS A 532 -10.780 -7.188 -6.161 1.00 0.52 H new ATOM 0 HB2 CYS A 532 -10.340 -8.137 -3.307 1.00 0.57 H new ATOM 0 HB3 CYS A 532 -9.802 -6.624 -4.007 1.00 0.57 H new ATOM 0 HG CYS A 532 -12.974 -7.482 -3.088 1.00 0.77 H new ATOM 329 N THR A 533 -8.583 -8.203 -6.600 1.00 0.39 N ATOM 330 CA THR A 533 -7.281 -8.777 -6.885 1.00 0.35 C ATOM 331 C THR A 533 -6.196 -7.891 -6.300 1.00 0.29 C ATOM 332 O THR A 533 -6.485 -6.774 -5.863 1.00 0.29 O ATOM 333 CB THR A 533 -7.040 -8.917 -8.400 1.00 0.41 C ATOM 334 OG1 THR A 533 -7.075 -7.624 -9.018 1.00 0.43 O ATOM 335 CG2 THR A 533 -8.086 -9.817 -9.036 1.00 0.54 C ATOM 0 H THR A 533 -8.799 -7.361 -7.133 1.00 0.39 H new ATOM 0 HA THR A 533 -7.252 -9.770 -6.436 1.00 0.35 H new ATOM 0 HB THR A 533 -6.060 -9.369 -8.551 1.00 0.41 H new ATOM 0 HG1 THR A 533 -8.005 -7.325 -9.098 1.00 0.43 H new ATOM 0 HG21 THR A 533 -7.893 -9.899 -10.106 1.00 0.54 H new ATOM 0 HG22 THR A 533 -8.039 -10.807 -8.582 1.00 0.54 H new ATOM 0 HG23 THR A 533 -9.077 -9.392 -8.878 1.00 0.54 H new ATOM 343 N GLU A 534 -4.959 -8.365 -6.289 1.00 0.29 N ATOM 344 CA GLU A 534 -3.855 -7.524 -5.862 1.00 0.28 C ATOM 345 C GLU A 534 -3.758 -6.329 -6.792 1.00 0.23 C ATOM 346 O GLU A 534 -3.526 -5.205 -6.359 1.00 0.25 O ATOM 347 CB GLU A 534 -2.547 -8.304 -5.834 1.00 0.33 C ATOM 348 CG GLU A 534 -1.974 -8.546 -7.199 1.00 0.58 C ATOM 349 CD GLU A 534 -0.561 -9.086 -7.163 1.00 0.82 C ATOM 350 OE1 GLU A 534 0.349 -8.420 -7.700 1.00 1.32 O ATOM 351 OE2 GLU A 534 -0.353 -10.181 -6.603 1.00 0.83 O ATOM 0 H GLU A 534 -4.699 -9.311 -6.566 1.00 0.29 H new ATOM 0 HA GLU A 534 -4.041 -7.177 -4.846 1.00 0.28 H new ATOM 0 HB2 GLU A 534 -1.819 -7.759 -5.233 1.00 0.33 H new ATOM 0 HB3 GLU A 534 -2.713 -9.262 -5.342 1.00 0.33 H new ATOM 0 HG2 GLU A 534 -2.612 -9.249 -7.735 1.00 0.58 H new ATOM 0 HG3 GLU A 534 -1.986 -7.613 -7.762 1.00 0.58 H new ATOM 358 N ASN A 535 -4.005 -6.587 -8.068 1.00 0.22 N ATOM 359 CA ASN A 535 -3.961 -5.547 -9.085 1.00 0.23 C ATOM 360 C ASN A 535 -4.958 -4.445 -8.770 1.00 0.21 C ATOM 361 O ASN A 535 -4.620 -3.271 -8.830 1.00 0.24 O ATOM 362 CB ASN A 535 -4.266 -6.118 -10.474 1.00 0.28 C ATOM 363 CG ASN A 535 -3.155 -6.991 -11.023 1.00 1.14 C ATOM 364 OD1 ASN A 535 -2.430 -7.646 -10.276 1.00 1.58 O ATOM 365 ND2 ASN A 535 -3.013 -7.006 -12.338 1.00 1.95 N ATOM 0 H ASN A 535 -4.239 -7.513 -8.425 1.00 0.22 H new ATOM 0 HA ASN A 535 -2.952 -5.135 -9.085 1.00 0.23 H new ATOM 0 HB2 ASN A 535 -5.186 -6.701 -10.425 1.00 0.28 H new ATOM 0 HB3 ASN A 535 -4.447 -5.295 -11.165 1.00 0.28 H new ATOM 0 HD21 ASN A 535 -2.282 -7.575 -12.766 1.00 1.95 H new ATOM 0 HD22 ASN A 535 -3.634 -6.449 -12.924 1.00 1.95 H new ATOM 372 N ASP A 536 -6.171 -4.818 -8.386 1.00 0.20 N ATOM 373 CA ASP A 536 -7.201 -3.822 -8.116 1.00 0.20 C ATOM 374 C ASP A 536 -6.867 -3.012 -6.877 1.00 0.17 C ATOM 375 O ASP A 536 -6.909 -1.786 -6.905 1.00 0.18 O ATOM 376 CB ASP A 536 -8.579 -4.461 -7.939 1.00 0.26 C ATOM 377 CG ASP A 536 -9.151 -5.009 -9.229 1.00 0.40 C ATOM 378 OD1 ASP A 536 -9.502 -4.204 -10.118 1.00 0.51 O ATOM 379 OD2 ASP A 536 -9.261 -6.250 -9.357 1.00 0.52 O ATOM 0 H ASP A 536 -6.464 -5.786 -8.256 1.00 0.20 H new ATOM 0 HA ASP A 536 -7.231 -3.163 -8.984 1.00 0.20 H new ATOM 0 HB2 ASP A 536 -8.508 -5.267 -7.209 1.00 0.26 H new ATOM 0 HB3 ASP A 536 -9.266 -3.720 -7.530 1.00 0.26 H new ATOM 384 N VAL A 537 -6.504 -3.705 -5.806 1.00 0.18 N ATOM 385 CA VAL A 537 -6.224 -3.058 -4.529 1.00 0.19 C ATOM 386 C VAL A 537 -5.020 -2.122 -4.644 1.00 0.18 C ATOM 387 O VAL A 537 -5.065 -0.976 -4.196 1.00 0.19 O ATOM 388 CB VAL A 537 -5.974 -4.112 -3.423 1.00 0.22 C ATOM 389 CG1 VAL A 537 -5.662 -3.458 -2.091 1.00 0.25 C ATOM 390 CG2 VAL A 537 -7.178 -5.030 -3.284 1.00 0.25 C ATOM 0 H VAL A 537 -6.396 -4.719 -5.795 1.00 0.18 H new ATOM 0 HA VAL A 537 -7.098 -2.466 -4.256 1.00 0.19 H new ATOM 0 HB VAL A 537 -5.107 -4.702 -3.719 1.00 0.22 H new ATOM 0 HG11 VAL A 537 -5.492 -4.228 -1.338 1.00 0.25 H new ATOM 0 HG12 VAL A 537 -4.768 -2.842 -2.188 1.00 0.25 H new ATOM 0 HG13 VAL A 537 -6.502 -2.833 -1.787 1.00 0.25 H new ATOM 0 HG21 VAL A 537 -6.987 -5.765 -2.503 1.00 0.25 H new ATOM 0 HG22 VAL A 537 -8.056 -4.441 -3.020 1.00 0.25 H new ATOM 0 HG23 VAL A 537 -7.355 -5.543 -4.229 1.00 0.25 H new ATOM 400 N ILE A 538 -3.962 -2.611 -5.274 1.00 0.18 N ATOM 401 CA ILE A 538 -2.744 -1.834 -5.454 1.00 0.19 C ATOM 402 C ILE A 538 -2.974 -0.653 -6.401 1.00 0.19 C ATOM 403 O ILE A 538 -2.574 0.476 -6.110 1.00 0.23 O ATOM 404 CB ILE A 538 -1.604 -2.729 -5.986 1.00 0.20 C ATOM 405 CG1 ILE A 538 -1.288 -3.832 -4.971 1.00 0.22 C ATOM 406 CG2 ILE A 538 -0.357 -1.910 -6.283 1.00 0.23 C ATOM 407 CD1 ILE A 538 -0.309 -4.867 -5.478 1.00 0.24 C ATOM 0 H ILE A 538 -3.923 -3.549 -5.672 1.00 0.18 H new ATOM 0 HA ILE A 538 -2.456 -1.437 -4.480 1.00 0.19 H new ATOM 0 HB ILE A 538 -1.934 -3.186 -6.919 1.00 0.20 H new ATOM 0 HG12 ILE A 538 -0.884 -3.376 -4.067 1.00 0.22 H new ATOM 0 HG13 ILE A 538 -2.216 -4.330 -4.690 1.00 0.22 H new ATOM 0 HG21 ILE A 538 0.429 -2.566 -6.656 1.00 0.23 H new ATOM 0 HG22 ILE A 538 -0.588 -1.156 -7.036 1.00 0.23 H new ATOM 0 HG23 ILE A 538 -0.018 -1.420 -5.370 1.00 0.23 H new ATOM 0 HD11 ILE A 538 -0.136 -5.614 -4.703 1.00 0.24 H new ATOM 0 HD12 ILE A 538 -0.718 -5.352 -6.364 1.00 0.24 H new ATOM 0 HD13 ILE A 538 0.634 -4.382 -5.732 1.00 0.24 H new ATOM 419 N ASN A 539 -3.650 -0.915 -7.516 1.00 0.17 N ATOM 420 CA ASN A 539 -3.911 0.115 -8.523 1.00 0.21 C ATOM 421 C ASN A 539 -4.769 1.244 -7.975 1.00 0.21 C ATOM 422 O ASN A 539 -4.701 2.362 -8.473 1.00 0.25 O ATOM 423 CB ASN A 539 -4.571 -0.467 -9.777 1.00 0.26 C ATOM 424 CG ASN A 539 -3.585 -1.171 -10.690 1.00 0.36 C ATOM 425 OD1 ASN A 539 -2.402 -0.834 -10.733 1.00 1.07 O ATOM 426 ND2 ASN A 539 -4.068 -2.144 -11.447 1.00 1.06 N ATOM 0 H ASN A 539 -4.029 -1.833 -7.747 1.00 0.17 H new ATOM 0 HA ASN A 539 -2.937 0.521 -8.797 1.00 0.21 H new ATOM 0 HB2 ASN A 539 -5.349 -1.170 -9.479 1.00 0.26 H new ATOM 0 HB3 ASN A 539 -5.061 0.335 -10.329 1.00 0.26 H new ATOM 0 HD21 ASN A 539 -3.454 -2.641 -12.092 1.00 1.06 H new ATOM 0 HD22 ASN A 539 -5.054 -2.397 -11.385 1.00 1.06 H new ATOM 433 N LEU A 540 -5.602 0.949 -6.983 1.00 0.19 N ATOM 434 CA LEU A 540 -6.470 1.968 -6.400 1.00 0.20 C ATOM 435 C LEU A 540 -5.687 2.978 -5.571 1.00 0.18 C ATOM 436 O LEU A 540 -6.022 4.156 -5.556 1.00 0.18 O ATOM 437 CB LEU A 540 -7.558 1.336 -5.537 1.00 0.25 C ATOM 438 CG LEU A 540 -8.603 0.520 -6.294 1.00 0.31 C ATOM 439 CD1 LEU A 540 -9.698 0.068 -5.349 1.00 0.36 C ATOM 440 CD2 LEU A 540 -9.185 1.319 -7.448 1.00 0.33 C ATOM 0 H LEU A 540 -5.695 0.022 -6.568 1.00 0.19 H new ATOM 0 HA LEU A 540 -6.934 2.495 -7.234 1.00 0.20 H new ATOM 0 HB2 LEU A 540 -7.083 0.690 -4.798 1.00 0.25 H new ATOM 0 HB3 LEU A 540 -8.068 2.127 -4.988 1.00 0.25 H new ATOM 0 HG LEU A 540 -8.116 -0.362 -6.710 1.00 0.31 H new ATOM 0 HD11 LEU A 540 -10.437 -0.513 -5.900 1.00 0.36 H new ATOM 0 HD12 LEU A 540 -9.267 -0.549 -4.560 1.00 0.36 H new ATOM 0 HD13 LEU A 540 -10.179 0.940 -4.906 1.00 0.36 H new ATOM 0 HD21 LEU A 540 -9.927 0.715 -7.971 1.00 0.33 H new ATOM 0 HD22 LEU A 540 -9.658 2.222 -7.063 1.00 0.33 H new ATOM 0 HD23 LEU A 540 -8.388 1.593 -8.139 1.00 0.33 H new ATOM 452 N GLY A 541 -4.647 2.522 -4.885 1.00 0.20 N ATOM 453 CA GLY A 541 -3.862 3.423 -4.055 1.00 0.22 C ATOM 454 C GLY A 541 -2.884 4.245 -4.869 1.00 0.19 C ATOM 455 O GLY A 541 -2.642 5.417 -4.576 1.00 0.20 O ATOM 0 H GLY A 541 -4.332 1.552 -4.886 1.00 0.20 H new ATOM 0 HA2 GLY A 541 -4.532 4.090 -3.512 1.00 0.22 H new ATOM 0 HA3 GLY A 541 -3.316 2.845 -3.310 1.00 0.22 H new ATOM 459 N LEU A 542 -2.364 3.629 -5.923 1.00 0.17 N ATOM 460 CA LEU A 542 -1.338 4.235 -6.783 1.00 0.17 C ATOM 461 C LEU A 542 -1.645 5.678 -7.243 1.00 0.18 C ATOM 462 O LEU A 542 -0.751 6.524 -7.192 1.00 0.25 O ATOM 463 CB LEU A 542 -1.082 3.357 -8.016 1.00 0.17 C ATOM 464 CG LEU A 542 -0.287 2.073 -7.763 1.00 0.18 C ATOM 465 CD1 LEU A 542 -0.211 1.236 -9.028 1.00 0.21 C ATOM 466 CD2 LEU A 542 1.113 2.402 -7.273 1.00 0.22 C ATOM 0 H LEU A 542 -2.639 2.690 -6.212 1.00 0.17 H new ATOM 0 HA LEU A 542 -0.449 4.297 -6.155 1.00 0.17 H new ATOM 0 HB2 LEU A 542 -2.043 3.087 -8.453 1.00 0.17 H new ATOM 0 HB3 LEU A 542 -0.550 3.952 -8.759 1.00 0.17 H new ATOM 0 HG LEU A 542 -0.802 1.499 -6.993 1.00 0.18 H new ATOM 0 HD11 LEU A 542 0.358 0.327 -8.830 1.00 0.21 H new ATOM 0 HD12 LEU A 542 -1.218 0.971 -9.350 1.00 0.21 H new ATOM 0 HD13 LEU A 542 0.282 1.808 -9.814 1.00 0.21 H new ATOM 0 HD21 LEU A 542 1.664 1.478 -7.098 1.00 0.22 H new ATOM 0 HD22 LEU A 542 1.631 2.997 -8.025 1.00 0.22 H new ATOM 0 HD23 LEU A 542 1.050 2.968 -6.344 1.00 0.22 H new ATOM 478 N PRO A 543 -2.875 5.993 -7.723 1.00 0.16 N ATOM 479 CA PRO A 543 -3.181 7.308 -8.317 1.00 0.16 C ATOM 480 C PRO A 543 -2.708 8.529 -7.516 1.00 0.16 C ATOM 481 O PRO A 543 -2.336 9.543 -8.108 1.00 0.19 O ATOM 482 CB PRO A 543 -4.711 7.290 -8.349 1.00 0.18 C ATOM 483 CG PRO A 543 -5.039 5.872 -8.604 1.00 0.19 C ATOM 484 CD PRO A 543 -4.045 5.096 -7.792 1.00 0.18 C ATOM 0 HA PRO A 543 -2.669 7.422 -9.273 1.00 0.16 H new ATOM 0 HB2 PRO A 543 -5.135 7.636 -7.407 1.00 0.18 H new ATOM 0 HB3 PRO A 543 -5.103 7.939 -9.132 1.00 0.18 H new ATOM 0 HG2 PRO A 543 -6.061 5.642 -8.303 1.00 0.19 H new ATOM 0 HG3 PRO A 543 -4.957 5.632 -9.664 1.00 0.19 H new ATOM 0 HD2 PRO A 543 -4.432 4.865 -6.799 1.00 0.18 H new ATOM 0 HD3 PRO A 543 -3.795 4.147 -8.266 1.00 0.18 H new ATOM 492 N PHE A 544 -2.716 8.459 -6.192 1.00 0.17 N ATOM 493 CA PHE A 544 -2.242 9.591 -5.400 1.00 0.20 C ATOM 494 C PHE A 544 -0.932 9.303 -4.669 1.00 0.24 C ATOM 495 O PHE A 544 -0.238 10.224 -4.239 1.00 0.29 O ATOM 496 CB PHE A 544 -3.332 10.058 -4.443 1.00 0.23 C ATOM 497 CG PHE A 544 -4.503 10.662 -5.164 1.00 0.23 C ATOM 498 CD1 PHE A 544 -5.561 9.869 -5.577 1.00 0.25 C ATOM 499 CD2 PHE A 544 -4.560 12.025 -5.406 1.00 0.28 C ATOM 500 CE1 PHE A 544 -6.652 10.423 -6.219 1.00 0.32 C ATOM 501 CE2 PHE A 544 -5.645 12.584 -6.050 1.00 0.33 C ATOM 502 CZ PHE A 544 -6.644 11.774 -6.543 1.00 0.35 C ATOM 0 H PHE A 544 -3.036 7.654 -5.653 1.00 0.17 H new ATOM 0 HA PHE A 544 -2.018 10.400 -6.095 1.00 0.20 H new ATOM 0 HB2 PHE A 544 -3.673 9.213 -3.844 1.00 0.23 H new ATOM 0 HB3 PHE A 544 -2.916 10.791 -3.752 1.00 0.23 H new ATOM 0 HD1 PHE A 544 -5.533 8.805 -5.395 1.00 0.25 H new ATOM 0 HD2 PHE A 544 -3.745 12.658 -5.087 1.00 0.28 H new ATOM 0 HE1 PHE A 544 -7.506 9.810 -6.467 1.00 0.32 H new ATOM 0 HE2 PHE A 544 -5.711 13.656 -6.167 1.00 0.33 H new ATOM 0 HZ PHE A 544 -7.415 12.186 -7.177 1.00 0.35 H new ATOM 512 N GLY A 545 -0.594 8.033 -4.533 1.00 0.23 N ATOM 513 CA GLY A 545 0.670 7.658 -3.928 1.00 0.27 C ATOM 514 C GLY A 545 1.196 6.340 -4.464 1.00 0.44 C ATOM 515 O GLY A 545 0.421 5.432 -4.748 1.00 1.14 O ATOM 0 H GLY A 545 -1.174 7.249 -4.832 1.00 0.23 H new ATOM 0 HA2 GLY A 545 1.405 8.442 -4.112 1.00 0.27 H new ATOM 0 HA3 GLY A 545 0.546 7.585 -2.848 1.00 0.27 H new ATOM 519 N LYS A 546 2.510 6.228 -4.602 1.00 0.30 N ATOM 520 CA LYS A 546 3.108 5.023 -5.161 1.00 0.26 C ATOM 521 C LYS A 546 3.240 3.925 -4.110 1.00 0.21 C ATOM 522 O LYS A 546 3.532 4.192 -2.943 1.00 0.25 O ATOM 523 CB LYS A 546 4.476 5.326 -5.773 1.00 0.37 C ATOM 524 CG LYS A 546 5.047 4.157 -6.562 1.00 0.43 C ATOM 525 CD LYS A 546 6.374 4.512 -7.213 1.00 1.10 C ATOM 526 CE LYS A 546 6.862 3.400 -8.129 1.00 1.30 C ATOM 527 NZ LYS A 546 5.889 3.099 -9.215 1.00 1.56 N ATOM 0 H LYS A 546 3.178 6.951 -4.337 1.00 0.30 H new ATOM 0 HA LYS A 546 2.442 4.666 -5.946 1.00 0.26 H new ATOM 0 HB2 LYS A 546 4.391 6.192 -6.429 1.00 0.37 H new ATOM 0 HB3 LYS A 546 5.172 5.595 -4.978 1.00 0.37 H new ATOM 0 HG2 LYS A 546 5.184 3.303 -5.899 1.00 0.43 H new ATOM 0 HG3 LYS A 546 4.335 3.854 -7.329 1.00 0.43 H new ATOM 0 HD2 LYS A 546 6.265 5.434 -7.785 1.00 1.10 H new ATOM 0 HD3 LYS A 546 7.120 4.702 -6.441 1.00 1.10 H new ATOM 0 HE2 LYS A 546 7.817 3.687 -8.569 1.00 1.30 H new ATOM 0 HE3 LYS A 546 7.039 2.499 -7.542 1.00 1.30 H new ATOM 0 HZ1 LYS A 546 6.364 2.560 -9.967 1.00 1.56 H new ATOM 0 HZ2 LYS A 546 5.103 2.537 -8.831 1.00 1.56 H new ATOM 0 HZ3 LYS A 546 5.520 3.989 -9.607 1.00 1.56 H new ATOM 541 N VAL A 547 3.042 2.695 -4.558 1.00 0.19 N ATOM 542 CA VAL A 547 3.093 1.518 -3.709 1.00 0.19 C ATOM 543 C VAL A 547 4.461 0.848 -3.790 1.00 0.19 C ATOM 544 O VAL A 547 5.036 0.716 -4.873 1.00 0.24 O ATOM 545 CB VAL A 547 2.006 0.507 -4.128 1.00 0.22 C ATOM 546 CG1 VAL A 547 2.128 -0.780 -3.336 1.00 0.25 C ATOM 547 CG2 VAL A 547 0.622 1.111 -3.952 1.00 0.24 C ATOM 0 H VAL A 547 2.839 2.485 -5.535 1.00 0.19 H new ATOM 0 HA VAL A 547 2.916 1.839 -2.682 1.00 0.19 H new ATOM 0 HB VAL A 547 2.151 0.271 -5.182 1.00 0.22 H new ATOM 0 HG11 VAL A 547 1.350 -1.476 -3.650 1.00 0.25 H new ATOM 0 HG12 VAL A 547 3.107 -1.225 -3.514 1.00 0.25 H new ATOM 0 HG13 VAL A 547 2.015 -0.565 -2.273 1.00 0.25 H new ATOM 0 HG21 VAL A 547 -0.133 0.384 -4.252 1.00 0.24 H new ATOM 0 HG22 VAL A 547 0.472 1.379 -2.906 1.00 0.24 H new ATOM 0 HG23 VAL A 547 0.533 2.004 -4.571 1.00 0.24 H new ATOM 557 N THR A 548 4.984 0.445 -2.642 1.00 0.20 N ATOM 558 CA THR A 548 6.259 -0.248 -2.590 1.00 0.24 C ATOM 559 C THR A 548 6.061 -1.741 -2.301 1.00 0.28 C ATOM 560 O THR A 548 6.751 -2.592 -2.869 1.00 0.34 O ATOM 561 CB THR A 548 7.176 0.362 -1.507 1.00 0.28 C ATOM 562 OG1 THR A 548 6.552 0.256 -0.231 1.00 0.37 O ATOM 563 CG2 THR A 548 7.477 1.826 -1.786 1.00 0.28 C ATOM 0 H THR A 548 4.543 0.587 -1.733 1.00 0.20 H new ATOM 0 HA THR A 548 6.731 -0.132 -3.565 1.00 0.24 H new ATOM 0 HB THR A 548 8.114 -0.193 -1.520 1.00 0.28 H new ATOM 0 HG1 THR A 548 6.429 1.151 0.149 1.00 0.37 H new ATOM 0 HG21 THR A 548 8.125 2.220 -1.003 1.00 0.28 H new ATOM 0 HG22 THR A 548 7.977 1.917 -2.750 1.00 0.28 H new ATOM 0 HG23 THR A 548 6.545 2.392 -1.805 1.00 0.28 H new ATOM 571 N ASN A 549 5.101 -2.048 -1.426 1.00 0.26 N ATOM 572 CA ASN A 549 4.837 -3.422 -0.988 1.00 0.32 C ATOM 573 C ASN A 549 3.346 -3.592 -0.700 1.00 0.22 C ATOM 574 O ASN A 549 2.619 -2.604 -0.622 1.00 0.24 O ATOM 575 CB ASN A 549 5.641 -3.761 0.278 1.00 0.54 C ATOM 576 CG ASN A 549 7.147 -3.721 0.071 1.00 0.71 C ATOM 577 OD1 ASN A 549 7.756 -4.713 -0.325 1.00 1.43 O ATOM 578 ND2 ASN A 549 7.760 -2.577 0.347 1.00 0.90 N ATOM 0 H ASN A 549 4.486 -1.354 -1.002 1.00 0.26 H new ATOM 0 HA ASN A 549 5.142 -4.099 -1.786 1.00 0.32 H new ATOM 0 HB2 ASN A 549 5.372 -3.059 1.068 1.00 0.54 H new ATOM 0 HB3 ASN A 549 5.356 -4.755 0.624 1.00 0.54 H new ATOM 0 HD21 ASN A 549 8.771 -2.499 0.233 1.00 0.90 H new ATOM 0 HD22 ASN A 549 7.221 -1.775 0.674 1.00 0.90 H new ATOM 585 N TYR A 550 2.880 -4.830 -0.556 1.00 0.22 N ATOM 586 CA TYR A 550 1.470 -5.071 -0.264 1.00 0.19 C ATOM 587 C TYR A 550 1.285 -6.375 0.508 1.00 0.19 C ATOM 588 O TYR A 550 2.085 -7.300 0.378 1.00 0.21 O ATOM 589 CB TYR A 550 0.646 -5.119 -1.560 1.00 0.19 C ATOM 590 CG TYR A 550 0.836 -6.385 -2.370 1.00 0.21 C ATOM 591 CD1 TYR A 550 -0.177 -7.330 -2.482 1.00 0.27 C ATOM 592 CD2 TYR A 550 2.035 -6.630 -3.027 1.00 0.36 C ATOM 593 CE1 TYR A 550 0.001 -8.480 -3.227 1.00 0.33 C ATOM 594 CE2 TYR A 550 2.221 -7.777 -3.772 1.00 0.44 C ATOM 595 CZ TYR A 550 1.169 -8.719 -3.845 1.00 0.37 C ATOM 596 OH TYR A 550 1.384 -9.843 -4.616 1.00 0.47 O ATOM 0 H TYR A 550 3.450 -5.672 -0.636 1.00 0.22 H new ATOM 0 HA TYR A 550 1.116 -4.245 0.353 1.00 0.19 H new ATOM 0 HB2 TYR A 550 -0.410 -5.016 -1.310 1.00 0.19 H new ATOM 0 HB3 TYR A 550 0.912 -4.262 -2.179 1.00 0.19 H new ATOM 0 HD1 TYR A 550 -1.118 -7.163 -1.979 1.00 0.27 H new ATOM 0 HD2 TYR A 550 2.836 -5.910 -2.954 1.00 0.36 H new ATOM 0 HE1 TYR A 550 -0.806 -9.193 -3.313 1.00 0.33 H new ATOM 0 HE2 TYR A 550 3.153 -7.952 -4.290 1.00 0.44 H new ATOM 0 HH TYR A 550 0.561 -10.073 -5.096 1.00 0.47 H new ATOM 606 N ILE A 551 0.233 -6.432 1.315 1.00 0.21 N ATOM 607 CA ILE A 551 -0.147 -7.650 2.019 1.00 0.23 C ATOM 608 C ILE A 551 -1.659 -7.846 1.929 1.00 0.23 C ATOM 609 O ILE A 551 -2.432 -6.962 2.300 1.00 0.23 O ATOM 610 CB ILE A 551 0.290 -7.633 3.510 1.00 0.27 C ATOM 611 CG1 ILE A 551 1.812 -7.775 3.624 1.00 0.30 C ATOM 612 CG2 ILE A 551 -0.407 -8.742 4.287 1.00 0.32 C ATOM 613 CD1 ILE A 551 2.310 -7.925 5.049 1.00 0.37 C ATOM 0 H ILE A 551 -0.379 -5.637 1.500 1.00 0.21 H new ATOM 0 HA ILE A 551 0.370 -8.480 1.537 1.00 0.23 H new ATOM 0 HB ILE A 551 -0.002 -6.676 3.942 1.00 0.27 H new ATOM 0 HG12 ILE A 551 2.131 -8.642 3.045 1.00 0.30 H new ATOM 0 HG13 ILE A 551 2.283 -6.901 3.175 1.00 0.30 H new ATOM 0 HG21 ILE A 551 -0.087 -8.713 5.329 1.00 0.32 H new ATOM 0 HG22 ILE A 551 -1.486 -8.600 4.235 1.00 0.32 H new ATOM 0 HG23 ILE A 551 -0.147 -9.708 3.855 1.00 0.32 H new ATOM 0 HD11 ILE A 551 3.396 -8.020 5.047 1.00 0.37 H new ATOM 0 HD12 ILE A 551 2.024 -7.047 5.629 1.00 0.37 H new ATOM 0 HD13 ILE A 551 1.869 -8.815 5.497 1.00 0.37 H new ATOM 625 N LEU A 552 -2.078 -8.996 1.424 1.00 0.26 N ATOM 626 CA LEU A 552 -3.497 -9.291 1.276 1.00 0.30 C ATOM 627 C LEU A 552 -3.949 -10.350 2.271 1.00 0.36 C ATOM 628 O LEU A 552 -3.545 -11.510 2.185 1.00 0.42 O ATOM 629 CB LEU A 552 -3.795 -9.768 -0.146 1.00 0.35 C ATOM 630 CG LEU A 552 -3.768 -8.685 -1.223 1.00 0.36 C ATOM 631 CD1 LEU A 552 -3.825 -9.312 -2.604 1.00 0.45 C ATOM 632 CD2 LEU A 552 -4.929 -7.728 -1.041 1.00 0.38 C ATOM 0 H LEU A 552 -1.457 -9.741 1.109 1.00 0.26 H new ATOM 0 HA LEU A 552 -4.047 -8.372 1.475 1.00 0.30 H new ATOM 0 HB2 LEU A 552 -3.070 -10.538 -0.411 1.00 0.35 H new ATOM 0 HB3 LEU A 552 -4.778 -10.239 -0.154 1.00 0.35 H new ATOM 0 HG LEU A 552 -2.836 -8.128 -1.127 1.00 0.36 H new ATOM 0 HD11 LEU A 552 -3.805 -8.528 -3.361 1.00 0.45 H new ATOM 0 HD12 LEU A 552 -2.967 -9.970 -2.741 1.00 0.45 H new ATOM 0 HD13 LEU A 552 -4.744 -9.889 -2.704 1.00 0.45 H new ATOM 0 HD21 LEU A 552 -4.895 -6.963 -1.816 1.00 0.38 H new ATOM 0 HD22 LEU A 552 -5.868 -8.277 -1.114 1.00 0.38 H new ATOM 0 HD23 LEU A 552 -4.861 -7.255 -0.061 1.00 0.38 H new ATOM 644 N MET A 553 -4.772 -9.946 3.228 1.00 0.37 N ATOM 645 CA MET A 553 -5.353 -10.888 4.171 1.00 0.47 C ATOM 646 C MET A 553 -6.840 -11.061 3.890 1.00 0.52 C ATOM 647 O MET A 553 -7.684 -10.385 4.479 1.00 0.52 O ATOM 648 CB MET A 553 -5.128 -10.419 5.609 1.00 0.50 C ATOM 649 CG MET A 553 -3.660 -10.336 5.993 1.00 0.54 C ATOM 650 SD MET A 553 -3.415 -9.909 7.726 1.00 1.18 S ATOM 651 CE MET A 553 -1.625 -9.944 7.823 1.00 0.93 C ATOM 0 H MET A 553 -5.051 -8.975 3.371 1.00 0.37 H new ATOM 0 HA MET A 553 -4.860 -11.853 4.048 1.00 0.47 H new ATOM 0 HB2 MET A 553 -5.586 -9.439 5.740 1.00 0.50 H new ATOM 0 HB3 MET A 553 -5.636 -11.102 6.290 1.00 0.50 H new ATOM 0 HG2 MET A 553 -3.181 -11.293 5.788 1.00 0.54 H new ATOM 0 HG3 MET A 553 -3.167 -9.592 5.367 1.00 0.54 H new ATOM 0 HE1 MET A 553 -1.317 -9.948 8.869 1.00 0.93 H new ATOM 0 HE2 MET A 553 -1.251 -10.842 7.331 1.00 0.93 H new ATOM 0 HE3 MET A 553 -1.217 -9.063 7.328 1.00 0.93 H new ATOM 661 N LYS A 554 -7.155 -11.982 2.991 1.00 0.61 N ATOM 662 CA LYS A 554 -8.533 -12.213 2.578 1.00 0.72 C ATOM 663 C LYS A 554 -9.340 -12.814 3.728 1.00 0.82 C ATOM 664 O LYS A 554 -10.547 -12.592 3.842 1.00 0.89 O ATOM 665 CB LYS A 554 -8.600 -13.138 1.354 1.00 0.83 C ATOM 666 CG LYS A 554 -7.898 -12.605 0.106 1.00 0.74 C ATOM 667 CD LYS A 554 -6.406 -12.907 0.112 1.00 1.34 C ATOM 668 CE LYS A 554 -5.762 -12.572 -1.227 1.00 1.35 C ATOM 669 NZ LYS A 554 -6.318 -13.389 -2.337 1.00 1.45 N ATOM 0 H LYS A 554 -6.472 -12.584 2.531 1.00 0.61 H new ATOM 0 HA LYS A 554 -8.963 -11.250 2.303 1.00 0.72 H new ATOM 0 HB2 LYS A 554 -8.159 -14.099 1.619 1.00 0.83 H new ATOM 0 HB3 LYS A 554 -9.647 -13.323 1.113 1.00 0.83 H new ATOM 0 HG2 LYS A 554 -8.353 -13.046 -0.781 1.00 0.74 H new ATOM 0 HG3 LYS A 554 -8.049 -11.528 0.039 1.00 0.74 H new ATOM 0 HD2 LYS A 554 -5.921 -12.335 0.903 1.00 1.34 H new ATOM 0 HD3 LYS A 554 -6.248 -13.961 0.339 1.00 1.34 H new ATOM 0 HE2 LYS A 554 -5.912 -11.515 -1.446 1.00 1.35 H new ATOM 0 HE3 LYS A 554 -4.686 -12.735 -1.162 1.00 1.35 H new ATOM 0 HZ1 LYS A 554 -5.652 -13.388 -3.136 1.00 1.45 H new ATOM 0 HZ2 LYS A 554 -6.465 -14.365 -2.010 1.00 1.45 H new ATOM 0 HZ3 LYS A 554 -7.227 -12.986 -2.643 1.00 1.45 H new ATOM 683 N SER A 555 -8.655 -13.568 4.580 1.00 0.86 N ATOM 684 CA SER A 555 -9.285 -14.238 5.710 1.00 0.99 C ATOM 685 C SER A 555 -9.876 -13.239 6.704 1.00 0.91 C ATOM 686 O SER A 555 -10.922 -13.489 7.303 1.00 0.97 O ATOM 687 CB SER A 555 -8.265 -15.142 6.407 1.00 1.11 C ATOM 688 OG SER A 555 -7.134 -14.399 6.838 1.00 1.03 O ATOM 0 H SER A 555 -7.651 -13.731 4.507 1.00 0.86 H new ATOM 0 HA SER A 555 -10.108 -14.843 5.328 1.00 0.99 H new ATOM 0 HB2 SER A 555 -8.732 -15.629 7.263 1.00 1.11 H new ATOM 0 HB3 SER A 555 -7.948 -15.931 5.725 1.00 1.11 H new ATOM 0 HG SER A 555 -6.498 -14.999 7.281 1.00 1.03 H new ATOM 694 N THR A 556 -9.216 -12.101 6.865 1.00 0.79 N ATOM 695 CA THR A 556 -9.668 -11.088 7.803 1.00 0.74 C ATOM 696 C THR A 556 -10.458 -10.001 7.087 1.00 0.67 C ATOM 697 O THR A 556 -10.903 -9.028 7.703 1.00 0.67 O ATOM 698 CB THR A 556 -8.479 -10.455 8.548 1.00 0.74 C ATOM 699 OG1 THR A 556 -7.567 -9.874 7.611 1.00 0.65 O ATOM 700 CG2 THR A 556 -7.750 -11.495 9.383 1.00 0.88 C ATOM 0 H THR A 556 -8.366 -11.858 6.357 1.00 0.79 H new ATOM 0 HA THR A 556 -10.316 -11.579 8.529 1.00 0.74 H new ATOM 0 HB THR A 556 -8.866 -9.681 9.210 1.00 0.74 H new ATOM 0 HG1 THR A 556 -6.814 -9.472 8.093 1.00 0.65 H new ATOM 0 HG21 THR A 556 -6.914 -11.025 9.900 1.00 0.88 H new ATOM 0 HG22 THR A 556 -8.437 -11.920 10.115 1.00 0.88 H new ATOM 0 HG23 THR A 556 -7.376 -12.286 8.733 1.00 0.88 H new ATOM 708 N ASN A 557 -10.651 -10.207 5.782 1.00 0.69 N ATOM 709 CA ASN A 557 -11.351 -9.259 4.913 1.00 0.72 C ATOM 710 C ASN A 557 -10.670 -7.897 4.942 1.00 0.61 C ATOM 711 O ASN A 557 -11.326 -6.857 4.996 1.00 0.69 O ATOM 712 CB ASN A 557 -12.806 -9.111 5.359 1.00 0.84 C ATOM 713 CG ASN A 557 -13.719 -8.664 4.238 1.00 1.32 C ATOM 714 OD1 ASN A 557 -13.926 -7.473 4.009 1.00 2.35 O ATOM 715 ND2 ASN A 557 -14.283 -9.630 3.544 1.00 1.42 N ATOM 0 H ASN A 557 -10.324 -11.042 5.296 1.00 0.69 H new ATOM 0 HA ASN A 557 -11.321 -9.646 3.894 1.00 0.72 H new ATOM 0 HB2 ASN A 557 -13.160 -10.064 5.752 1.00 0.84 H new ATOM 0 HB3 ASN A 557 -12.860 -8.390 6.175 1.00 0.84 H new ATOM 0 HD21 ASN A 557 -14.921 -9.404 2.781 1.00 1.42 H new ATOM 0 HD22 ASN A 557 -14.082 -10.604 3.769 1.00 1.42 H new ATOM 722 N GLN A 558 -9.348 -7.904 4.902 1.00 0.50 N ATOM 723 CA GLN A 558 -8.584 -6.673 4.993 1.00 0.44 C ATOM 724 C GLN A 558 -7.377 -6.724 4.069 1.00 0.32 C ATOM 725 O GLN A 558 -6.811 -7.789 3.825 1.00 0.36 O ATOM 726 CB GLN A 558 -8.124 -6.445 6.438 1.00 0.53 C ATOM 727 CG GLN A 558 -9.268 -6.304 7.434 1.00 0.70 C ATOM 728 CD GLN A 558 -8.793 -6.329 8.874 1.00 1.26 C ATOM 729 OE1 GLN A 558 -8.691 -7.389 9.489 1.00 2.07 O ATOM 730 NE2 GLN A 558 -8.516 -5.162 9.427 1.00 1.71 N ATOM 0 H GLN A 558 -8.783 -8.748 4.807 1.00 0.50 H new ATOM 0 HA GLN A 558 -9.224 -5.846 4.686 1.00 0.44 H new ATOM 0 HB2 GLN A 558 -7.490 -7.278 6.743 1.00 0.53 H new ATOM 0 HB3 GLN A 558 -7.509 -5.546 6.476 1.00 0.53 H new ATOM 0 HG2 GLN A 558 -9.796 -5.369 7.245 1.00 0.70 H new ATOM 0 HG3 GLN A 558 -9.983 -7.111 7.277 1.00 0.70 H new ATOM 0 HE21 GLN A 558 -8.613 -4.304 8.884 1.00 1.71 H new ATOM 0 HE22 GLN A 558 -8.205 -5.118 10.397 1.00 1.71 H new ATOM 739 N ALA A 559 -6.980 -5.575 3.564 1.00 0.27 N ATOM 740 CA ALA A 559 -5.802 -5.489 2.723 1.00 0.21 C ATOM 741 C ALA A 559 -4.890 -4.383 3.216 1.00 0.17 C ATOM 742 O ALA A 559 -5.361 -3.346 3.688 1.00 0.22 O ATOM 743 CB ALA A 559 -6.198 -5.254 1.273 1.00 0.26 C ATOM 0 H ALA A 559 -7.455 -4.686 3.721 1.00 0.27 H new ATOM 0 HA ALA A 559 -5.262 -6.434 2.778 1.00 0.21 H new ATOM 0 HB1 ALA A 559 -5.301 -5.192 0.656 1.00 0.26 H new ATOM 0 HB2 ALA A 559 -6.820 -6.080 0.927 1.00 0.26 H new ATOM 0 HB3 ALA A 559 -6.757 -4.321 1.195 1.00 0.26 H new ATOM 749 N PHE A 560 -3.594 -4.611 3.121 1.00 0.14 N ATOM 750 CA PHE A 560 -2.614 -3.636 3.557 1.00 0.13 C ATOM 751 C PHE A 560 -1.721 -3.245 2.392 1.00 0.13 C ATOM 752 O PHE A 560 -1.136 -4.100 1.727 1.00 0.14 O ATOM 753 CB PHE A 560 -1.780 -4.196 4.712 1.00 0.14 C ATOM 754 CG PHE A 560 -2.600 -4.549 5.922 1.00 0.17 C ATOM 755 CD1 PHE A 560 -3.013 -5.855 6.138 1.00 0.26 C ATOM 756 CD2 PHE A 560 -2.965 -3.574 6.837 1.00 0.27 C ATOM 757 CE1 PHE A 560 -3.775 -6.181 7.245 1.00 0.30 C ATOM 758 CE2 PHE A 560 -3.726 -3.894 7.944 1.00 0.33 C ATOM 759 CZ PHE A 560 -4.132 -5.199 8.149 1.00 0.30 C ATOM 0 H PHE A 560 -3.194 -5.470 2.743 1.00 0.14 H new ATOM 0 HA PHE A 560 -3.134 -2.747 3.914 1.00 0.13 H new ATOM 0 HB2 PHE A 560 -1.249 -5.084 4.370 1.00 0.14 H new ATOM 0 HB3 PHE A 560 -1.025 -3.462 4.995 1.00 0.14 H new ATOM 0 HD1 PHE A 560 -2.737 -6.626 5.434 1.00 0.26 H new ATOM 0 HD2 PHE A 560 -2.651 -2.552 6.682 1.00 0.27 H new ATOM 0 HE1 PHE A 560 -4.091 -7.202 7.403 1.00 0.30 H new ATOM 0 HE2 PHE A 560 -4.004 -3.125 8.649 1.00 0.33 H new ATOM 0 HZ PHE A 560 -4.727 -5.451 9.014 1.00 0.30 H new ATOM 769 N LEU A 561 -1.629 -1.954 2.147 1.00 0.13 N ATOM 770 CA LEU A 561 -0.889 -1.440 1.014 1.00 0.13 C ATOM 771 C LEU A 561 0.205 -0.490 1.499 1.00 0.14 C ATOM 772 O LEU A 561 -0.068 0.465 2.225 1.00 0.18 O ATOM 773 CB LEU A 561 -1.862 -0.740 0.062 1.00 0.15 C ATOM 774 CG LEU A 561 -1.359 -0.520 -1.364 1.00 0.17 C ATOM 775 CD1 LEU A 561 -0.892 -1.831 -1.974 1.00 0.20 C ATOM 776 CD2 LEU A 561 -2.461 0.091 -2.219 1.00 0.22 C ATOM 0 H LEU A 561 -2.063 -1.235 2.725 1.00 0.13 H new ATOM 0 HA LEU A 561 -0.404 -2.255 0.476 1.00 0.13 H new ATOM 0 HB2 LEU A 561 -2.780 -1.326 0.016 1.00 0.15 H new ATOM 0 HB3 LEU A 561 -2.123 0.229 0.488 1.00 0.15 H new ATOM 0 HG LEU A 561 -0.513 0.167 -1.330 1.00 0.17 H new ATOM 0 HD11 LEU A 561 -0.538 -1.654 -2.989 1.00 0.20 H new ATOM 0 HD12 LEU A 561 -0.081 -2.243 -1.373 1.00 0.20 H new ATOM 0 HD13 LEU A 561 -1.722 -2.537 -1.997 1.00 0.20 H new ATOM 0 HD21 LEU A 561 -2.092 0.244 -3.233 1.00 0.22 H new ATOM 0 HD22 LEU A 561 -3.319 -0.581 -2.242 1.00 0.22 H new ATOM 0 HD23 LEU A 561 -2.762 1.049 -1.794 1.00 0.22 H new ATOM 788 N GLU A 562 1.435 -0.766 1.098 1.00 0.14 N ATOM 789 CA GLU A 562 2.600 -0.026 1.577 1.00 0.16 C ATOM 790 C GLU A 562 3.027 1.010 0.549 1.00 0.16 C ATOM 791 O GLU A 562 3.075 0.725 -0.649 1.00 0.17 O ATOM 792 CB GLU A 562 3.738 -1.006 1.850 1.00 0.23 C ATOM 793 CG GLU A 562 5.067 -0.362 2.183 1.00 0.32 C ATOM 794 CD GLU A 562 5.042 0.460 3.447 1.00 0.94 C ATOM 795 OE1 GLU A 562 4.690 1.648 3.364 1.00 1.85 O ATOM 796 OE2 GLU A 562 5.342 -0.092 4.521 1.00 0.94 O ATOM 0 H GLU A 562 1.658 -1.507 0.433 1.00 0.14 H new ATOM 0 HA GLU A 562 2.344 0.496 2.499 1.00 0.16 H new ATOM 0 HB2 GLU A 562 3.448 -1.656 2.676 1.00 0.23 H new ATOM 0 HB3 GLU A 562 3.868 -1.642 0.975 1.00 0.23 H new ATOM 0 HG2 GLU A 562 5.824 -1.141 2.281 1.00 0.32 H new ATOM 0 HG3 GLU A 562 5.371 0.275 1.352 1.00 0.32 H new ATOM 803 N MET A 563 3.365 2.198 1.020 1.00 0.19 N ATOM 804 CA MET A 563 3.580 3.329 0.133 1.00 0.21 C ATOM 805 C MET A 563 5.034 3.776 0.130 1.00 0.23 C ATOM 806 O MET A 563 5.809 3.435 1.024 1.00 0.35 O ATOM 807 CB MET A 563 2.666 4.483 0.535 1.00 0.25 C ATOM 808 CG MET A 563 1.208 4.073 0.620 1.00 0.39 C ATOM 809 SD MET A 563 0.643 3.230 -0.868 1.00 0.96 S ATOM 810 CE MET A 563 -1.013 2.777 -0.373 1.00 0.28 C ATOM 0 H MET A 563 3.496 2.405 2.010 1.00 0.19 H new ATOM 0 HA MET A 563 3.337 3.013 -0.881 1.00 0.21 H new ATOM 0 HB2 MET A 563 2.986 4.875 1.501 1.00 0.25 H new ATOM 0 HB3 MET A 563 2.770 5.292 -0.188 1.00 0.25 H new ATOM 0 HG2 MET A 563 1.067 3.419 1.480 1.00 0.39 H new ATOM 0 HG3 MET A 563 0.594 4.958 0.788 1.00 0.39 H new ATOM 0 HE1 MET A 563 -1.643 2.679 -1.257 1.00 0.28 H new ATOM 0 HE2 MET A 563 -0.986 1.827 0.161 1.00 0.28 H new ATOM 0 HE3 MET A 563 -1.422 3.549 0.280 1.00 0.28 H new ATOM 820 N ALA A 564 5.403 4.526 -0.897 1.00 0.24 N ATOM 821 CA ALA A 564 6.766 5.008 -1.039 1.00 0.26 C ATOM 822 C ALA A 564 7.054 6.165 -0.092 1.00 0.23 C ATOM 823 O ALA A 564 8.068 6.173 0.605 1.00 0.35 O ATOM 824 CB ALA A 564 7.022 5.425 -2.480 1.00 0.36 C ATOM 0 H ALA A 564 4.774 4.814 -1.646 1.00 0.24 H new ATOM 0 HA ALA A 564 7.440 4.193 -0.775 1.00 0.26 H new ATOM 0 HB1 ALA A 564 8.046 5.785 -2.578 1.00 0.36 H new ATOM 0 HB2 ALA A 564 6.874 4.569 -3.138 1.00 0.36 H new ATOM 0 HB3 ALA A 564 6.330 6.220 -2.757 1.00 0.36 H new ATOM 830 N TYR A 565 6.146 7.126 -0.043 1.00 0.21 N ATOM 831 CA TYR A 565 6.349 8.315 0.769 1.00 0.28 C ATOM 832 C TYR A 565 5.240 8.443 1.794 1.00 0.24 C ATOM 833 O TYR A 565 4.144 7.916 1.595 1.00 0.22 O ATOM 834 CB TYR A 565 6.372 9.578 -0.100 1.00 0.44 C ATOM 835 CG TYR A 565 7.349 9.529 -1.254 1.00 0.62 C ATOM 836 CD1 TYR A 565 6.938 9.105 -2.509 1.00 0.73 C ATOM 837 CD2 TYR A 565 8.673 9.910 -1.090 1.00 0.83 C ATOM 838 CE1 TYR A 565 7.818 9.059 -3.570 1.00 0.94 C ATOM 839 CE2 TYR A 565 9.561 9.867 -2.148 1.00 1.02 C ATOM 840 CZ TYR A 565 9.128 9.441 -3.386 1.00 1.05 C ATOM 841 OH TYR A 565 10.008 9.395 -4.444 1.00 1.27 O ATOM 0 H TYR A 565 5.264 7.107 -0.554 1.00 0.21 H new ATOM 0 HA TYR A 565 7.310 8.213 1.273 1.00 0.28 H new ATOM 0 HB2 TYR A 565 5.371 9.750 -0.495 1.00 0.44 H new ATOM 0 HB3 TYR A 565 6.617 10.433 0.530 1.00 0.44 H new ATOM 0 HD1 TYR A 565 5.911 8.806 -2.658 1.00 0.73 H new ATOM 0 HD2 TYR A 565 9.014 10.245 -0.122 1.00 0.83 H new ATOM 0 HE1 TYR A 565 7.481 8.725 -4.540 1.00 0.94 H new ATOM 0 HE2 TYR A 565 10.589 10.166 -2.006 1.00 1.02 H new ATOM 0 HH TYR A 565 10.633 10.148 -4.383 1.00 1.27 H new ATOM 851 N THR A 566 5.516 9.138 2.884 1.00 0.29 N ATOM 852 CA THR A 566 4.489 9.407 3.878 1.00 0.32 C ATOM 853 C THR A 566 3.380 10.269 3.269 1.00 0.26 C ATOM 854 O THR A 566 2.194 10.021 3.496 1.00 0.28 O ATOM 855 CB THR A 566 5.071 10.089 5.142 1.00 0.46 C ATOM 856 OG1 THR A 566 4.055 10.234 6.137 1.00 0.52 O ATOM 857 CG2 THR A 566 5.674 11.452 4.827 1.00 0.52 C ATOM 0 H THR A 566 6.434 9.524 3.103 1.00 0.29 H new ATOM 0 HA THR A 566 4.071 8.450 4.189 1.00 0.32 H new ATOM 0 HB THR A 566 5.868 9.447 5.519 1.00 0.46 H new ATOM 0 HG1 THR A 566 4.434 10.665 6.931 1.00 0.52 H new ATOM 0 HG21 THR A 566 6.070 11.895 5.741 1.00 0.52 H new ATOM 0 HG22 THR A 566 6.479 11.335 4.102 1.00 0.52 H new ATOM 0 HG23 THR A 566 4.905 12.103 4.412 1.00 0.52 H new ATOM 865 N GLU A 567 3.772 11.240 2.443 1.00 0.26 N ATOM 866 CA GLU A 567 2.818 12.109 1.767 1.00 0.28 C ATOM 867 C GLU A 567 1.990 11.321 0.768 1.00 0.24 C ATOM 868 O GLU A 567 0.813 11.597 0.579 1.00 0.29 O ATOM 869 CB GLU A 567 3.538 13.266 1.067 1.00 0.39 C ATOM 870 CG GLU A 567 4.655 12.818 0.138 1.00 0.86 C ATOM 871 CD GLU A 567 5.095 13.909 -0.814 1.00 1.35 C ATOM 872 OE1 GLU A 567 6.066 14.620 -0.492 1.00 1.60 O ATOM 873 OE2 GLU A 567 4.468 14.065 -1.884 1.00 1.91 O ATOM 0 H GLU A 567 4.748 11.442 2.228 1.00 0.26 H new ATOM 0 HA GLU A 567 2.148 12.526 2.519 1.00 0.28 H new ATOM 0 HB2 GLU A 567 2.811 13.842 0.495 1.00 0.39 H new ATOM 0 HB3 GLU A 567 3.951 13.935 1.822 1.00 0.39 H new ATOM 0 HG2 GLU A 567 5.509 12.494 0.733 1.00 0.86 H new ATOM 0 HG3 GLU A 567 4.320 11.954 -0.436 1.00 0.86 H new ATOM 880 N ALA A 568 2.604 10.321 0.157 1.00 0.22 N ATOM 881 CA ALA A 568 1.915 9.487 -0.810 1.00 0.24 C ATOM 882 C ALA A 568 0.754 8.761 -0.145 1.00 0.21 C ATOM 883 O ALA A 568 -0.360 8.735 -0.667 1.00 0.24 O ATOM 884 CB ALA A 568 2.887 8.490 -1.423 1.00 0.28 C ATOM 0 H ALA A 568 3.579 10.068 0.315 1.00 0.22 H new ATOM 0 HA ALA A 568 1.517 10.119 -1.604 1.00 0.24 H new ATOM 0 HB1 ALA A 568 2.362 7.868 -2.148 1.00 0.28 H new ATOM 0 HB2 ALA A 568 3.693 9.028 -1.923 1.00 0.28 H new ATOM 0 HB3 ALA A 568 3.304 7.859 -0.638 1.00 0.28 H new ATOM 890 N ALA A 569 1.025 8.202 1.025 1.00 0.17 N ATOM 891 CA ALA A 569 0.024 7.457 1.767 1.00 0.17 C ATOM 892 C ALA A 569 -1.082 8.368 2.289 1.00 0.17 C ATOM 893 O ALA A 569 -2.263 8.067 2.142 1.00 0.18 O ATOM 894 CB ALA A 569 0.684 6.710 2.916 1.00 0.19 C ATOM 0 H ALA A 569 1.936 8.252 1.481 1.00 0.17 H new ATOM 0 HA ALA A 569 -0.437 6.740 1.088 1.00 0.17 H new ATOM 0 HB1 ALA A 569 -0.072 6.153 3.469 1.00 0.19 H new ATOM 0 HB2 ALA A 569 1.428 6.018 2.521 1.00 0.19 H new ATOM 0 HB3 ALA A 569 1.169 7.423 3.582 1.00 0.19 H new ATOM 900 N GLN A 570 -0.697 9.492 2.879 1.00 0.18 N ATOM 901 CA GLN A 570 -1.665 10.415 3.468 1.00 0.22 C ATOM 902 C GLN A 570 -2.521 11.083 2.396 1.00 0.22 C ATOM 903 O GLN A 570 -3.745 11.149 2.523 1.00 0.24 O ATOM 904 CB GLN A 570 -0.954 11.491 4.284 1.00 0.30 C ATOM 905 CG GLN A 570 -0.097 10.947 5.412 1.00 0.83 C ATOM 906 CD GLN A 570 0.610 12.049 6.171 1.00 0.80 C ATOM 907 OE1 GLN A 570 0.096 13.158 6.307 1.00 1.21 O ATOM 908 NE2 GLN A 570 1.807 11.765 6.646 1.00 0.78 N ATOM 0 H GLN A 570 0.275 9.788 2.964 1.00 0.18 H new ATOM 0 HA GLN A 570 -2.313 9.831 4.121 1.00 0.22 H new ATOM 0 HB2 GLN A 570 -0.326 12.082 3.617 1.00 0.30 H new ATOM 0 HB3 GLN A 570 -1.700 12.167 4.702 1.00 0.30 H new ATOM 0 HG2 GLN A 570 -0.722 10.377 6.099 1.00 0.83 H new ATOM 0 HG3 GLN A 570 0.641 10.256 5.005 1.00 0.83 H new ATOM 0 HE21 GLN A 570 2.200 10.833 6.513 1.00 0.78 H new ATOM 0 HE22 GLN A 570 2.339 12.477 7.146 1.00 0.78 H new ATOM 917 N ALA A 571 -1.873 11.558 1.335 1.00 0.23 N ATOM 918 CA ALA A 571 -2.560 12.300 0.286 1.00 0.25 C ATOM 919 C ALA A 571 -3.608 11.444 -0.402 1.00 0.21 C ATOM 920 O ALA A 571 -4.714 11.913 -0.679 1.00 0.22 O ATOM 921 CB ALA A 571 -1.568 12.838 -0.735 1.00 0.31 C ATOM 0 H ALA A 571 -0.872 11.441 1.181 1.00 0.23 H new ATOM 0 HA ALA A 571 -3.066 13.142 0.759 1.00 0.25 H new ATOM 0 HB1 ALA A 571 -2.104 13.388 -1.508 1.00 0.31 H new ATOM 0 HB2 ALA A 571 -0.861 13.504 -0.240 1.00 0.31 H new ATOM 0 HB3 ALA A 571 -1.027 12.008 -1.189 1.00 0.31 H new ATOM 927 N MET A 572 -3.268 10.189 -0.677 1.00 0.20 N ATOM 928 CA MET A 572 -4.208 9.294 -1.320 1.00 0.18 C ATOM 929 C MET A 572 -5.376 9.006 -0.387 1.00 0.15 C ATOM 930 O MET A 572 -6.531 9.097 -0.785 1.00 0.13 O ATOM 931 CB MET A 572 -3.531 7.983 -1.754 1.00 0.24 C ATOM 932 CG MET A 572 -3.293 6.987 -0.627 1.00 0.25 C ATOM 933 SD MET A 572 -2.764 5.380 -1.219 1.00 0.62 S ATOM 934 CE MET A 572 -1.177 5.808 -1.912 1.00 0.26 C ATOM 0 H MET A 572 -2.359 9.777 -0.466 1.00 0.20 H new ATOM 0 HA MET A 572 -4.581 9.785 -2.218 1.00 0.18 H new ATOM 0 HB2 MET A 572 -4.147 7.507 -2.517 1.00 0.24 H new ATOM 0 HB3 MET A 572 -2.574 8.221 -2.219 1.00 0.24 H new ATOM 0 HG2 MET A 572 -2.538 7.386 0.051 1.00 0.25 H new ATOM 0 HG3 MET A 572 -4.211 6.872 -0.050 1.00 0.25 H new ATOM 0 HE1 MET A 572 -0.845 5.013 -2.580 1.00 0.26 H new ATOM 0 HE2 MET A 572 -1.264 6.739 -2.471 1.00 0.26 H new ATOM 0 HE3 MET A 572 -0.451 5.933 -1.109 1.00 0.26 H new ATOM 944 N VAL A 573 -5.066 8.703 0.865 1.00 0.15 N ATOM 945 CA VAL A 573 -6.075 8.284 1.816 1.00 0.14 C ATOM 946 C VAL A 573 -7.045 9.397 2.147 1.00 0.13 C ATOM 947 O VAL A 573 -8.244 9.168 2.211 1.00 0.14 O ATOM 948 CB VAL A 573 -5.447 7.731 3.100 1.00 0.17 C ATOM 949 CG1 VAL A 573 -6.498 7.580 4.178 1.00 0.21 C ATOM 950 CG2 VAL A 573 -4.798 6.397 2.808 1.00 0.19 C ATOM 0 H VAL A 573 -4.119 8.741 1.243 1.00 0.15 H new ATOM 0 HA VAL A 573 -6.636 7.483 1.334 1.00 0.14 H new ATOM 0 HB VAL A 573 -4.689 8.428 3.457 1.00 0.17 H new ATOM 0 HG11 VAL A 573 -6.036 7.186 5.084 1.00 0.21 H new ATOM 0 HG12 VAL A 573 -6.943 8.552 4.391 1.00 0.21 H new ATOM 0 HG13 VAL A 573 -7.273 6.893 3.837 1.00 0.21 H new ATOM 0 HG21 VAL A 573 -4.351 6.002 3.720 1.00 0.19 H new ATOM 0 HG22 VAL A 573 -5.550 5.699 2.441 1.00 0.19 H new ATOM 0 HG23 VAL A 573 -4.024 6.527 2.051 1.00 0.19 H new ATOM 960 N GLN A 574 -6.543 10.601 2.344 1.00 0.15 N ATOM 961 CA GLN A 574 -7.420 11.722 2.623 1.00 0.17 C ATOM 962 C GLN A 574 -8.365 11.947 1.455 1.00 0.14 C ATOM 963 O GLN A 574 -9.530 12.300 1.645 1.00 0.16 O ATOM 964 CB GLN A 574 -6.628 12.980 2.968 1.00 0.23 C ATOM 965 CG GLN A 574 -5.909 12.856 4.299 1.00 0.30 C ATOM 966 CD GLN A 574 -5.429 14.180 4.846 1.00 1.07 C ATOM 967 OE1 GLN A 574 -5.088 15.097 4.101 1.00 1.90 O ATOM 968 NE2 GLN A 574 -5.426 14.291 6.163 1.00 1.81 N ATOM 0 H GLN A 574 -5.549 10.826 2.317 1.00 0.15 H new ATOM 0 HA GLN A 574 -8.019 11.484 3.502 1.00 0.17 H new ATOM 0 HB2 GLN A 574 -5.900 13.177 2.181 1.00 0.23 H new ATOM 0 HB3 GLN A 574 -7.303 13.835 3.000 1.00 0.23 H new ATOM 0 HG2 GLN A 574 -6.579 12.393 5.024 1.00 0.30 H new ATOM 0 HG3 GLN A 574 -5.055 12.188 4.182 1.00 0.30 H new ATOM 0 HE21 GLN A 574 -5.717 13.503 6.742 1.00 1.81 H new ATOM 0 HE22 GLN A 574 -5.132 15.164 6.601 1.00 1.81 H new ATOM 977 N TYR A 575 -7.864 11.716 0.248 1.00 0.13 N ATOM 978 CA TYR A 575 -8.708 11.749 -0.931 1.00 0.14 C ATOM 979 C TYR A 575 -9.716 10.606 -0.892 1.00 0.12 C ATOM 980 O TYR A 575 -10.889 10.821 -1.130 1.00 0.15 O ATOM 981 CB TYR A 575 -7.877 11.677 -2.217 1.00 0.18 C ATOM 982 CG TYR A 575 -8.706 11.818 -3.478 1.00 0.24 C ATOM 983 CD1 TYR A 575 -8.908 13.061 -4.067 1.00 0.38 C ATOM 984 CD2 TYR A 575 -9.279 10.708 -4.084 1.00 0.24 C ATOM 985 CE1 TYR A 575 -9.652 13.191 -5.223 1.00 0.46 C ATOM 986 CE2 TYR A 575 -10.027 10.831 -5.239 1.00 0.33 C ATOM 987 CZ TYR A 575 -10.246 12.080 -5.779 1.00 0.43 C ATOM 988 OH TYR A 575 -10.950 12.199 -6.959 1.00 0.52 O ATOM 0 H TYR A 575 -6.883 11.505 0.064 1.00 0.13 H new ATOM 0 HA TYR A 575 -9.244 12.698 -0.930 1.00 0.14 H new ATOM 0 HB2 TYR A 575 -7.122 12.463 -2.198 1.00 0.18 H new ATOM 0 HB3 TYR A 575 -7.346 10.726 -2.245 1.00 0.18 H new ATOM 0 HD1 TYR A 575 -8.476 13.940 -3.613 1.00 0.38 H new ATOM 0 HD2 TYR A 575 -9.138 9.731 -3.645 1.00 0.24 H new ATOM 0 HE1 TYR A 575 -9.767 14.159 -5.689 1.00 0.46 H new ATOM 0 HE2 TYR A 575 -10.438 9.953 -5.716 1.00 0.33 H new ATOM 0 HH TYR A 575 -11.306 11.323 -7.218 1.00 0.52 H new ATOM 998 N TYR A 576 -9.258 9.398 -0.574 1.00 0.10 N ATOM 999 CA TYR A 576 -10.125 8.215 -0.601 1.00 0.12 C ATOM 1000 C TYR A 576 -11.059 8.143 0.606 1.00 0.14 C ATOM 1001 O TYR A 576 -12.024 7.393 0.597 1.00 0.17 O ATOM 1002 CB TYR A 576 -9.305 6.928 -0.679 1.00 0.12 C ATOM 1003 CG TYR A 576 -8.380 6.862 -1.871 1.00 0.15 C ATOM 1004 CD1 TYR A 576 -7.108 6.325 -1.746 1.00 0.16 C ATOM 1005 CD2 TYR A 576 -8.768 7.347 -3.113 1.00 0.24 C ATOM 1006 CE1 TYR A 576 -6.248 6.274 -2.820 1.00 0.21 C ATOM 1007 CE2 TYR A 576 -7.914 7.296 -4.196 1.00 0.29 C ATOM 1008 CZ TYR A 576 -6.655 6.760 -4.043 1.00 0.27 C ATOM 1009 OH TYR A 576 -5.797 6.716 -5.117 1.00 0.34 O ATOM 0 H TYR A 576 -8.295 9.209 -0.295 1.00 0.10 H new ATOM 0 HA TYR A 576 -10.737 8.313 -1.498 1.00 0.12 H new ATOM 0 HB2 TYR A 576 -8.715 6.829 0.232 1.00 0.12 H new ATOM 0 HB3 TYR A 576 -9.985 6.077 -0.712 1.00 0.12 H new ATOM 0 HD1 TYR A 576 -6.786 5.940 -0.790 1.00 0.16 H new ATOM 0 HD2 TYR A 576 -9.754 7.771 -3.233 1.00 0.24 H new ATOM 0 HE1 TYR A 576 -5.259 5.855 -2.704 1.00 0.21 H new ATOM 0 HE2 TYR A 576 -8.231 7.674 -5.157 1.00 0.29 H new ATOM 0 HH TYR A 576 -5.914 5.868 -5.595 1.00 0.34 H new ATOM 1019 N GLN A 577 -10.764 8.886 1.656 1.00 0.15 N ATOM 1020 CA GLN A 577 -11.663 8.943 2.797 1.00 0.21 C ATOM 1021 C GLN A 577 -12.836 9.871 2.498 1.00 0.22 C ATOM 1022 O GLN A 577 -13.927 9.711 3.046 1.00 0.26 O ATOM 1023 CB GLN A 577 -10.923 9.371 4.077 1.00 0.25 C ATOM 1024 CG GLN A 577 -10.045 8.279 4.665 1.00 0.29 C ATOM 1025 CD GLN A 577 -9.478 8.648 6.023 1.00 0.93 C ATOM 1026 OE1 GLN A 577 -8.404 9.241 6.131 1.00 1.84 O ATOM 1027 NE2 GLN A 577 -10.190 8.286 7.076 1.00 1.34 N ATOM 0 H GLN A 577 -9.920 9.452 1.745 1.00 0.15 H new ATOM 0 HA GLN A 577 -12.054 7.941 2.974 1.00 0.21 H new ATOM 0 HB2 GLN A 577 -10.306 10.242 3.856 1.00 0.25 H new ATOM 0 HB3 GLN A 577 -11.655 9.679 4.824 1.00 0.25 H new ATOM 0 HG2 GLN A 577 -10.626 7.361 4.756 1.00 0.29 H new ATOM 0 HG3 GLN A 577 -9.225 8.070 3.979 1.00 0.29 H new ATOM 0 HE21 GLN A 577 -11.076 7.796 6.949 1.00 1.34 H new ATOM 0 HE22 GLN A 577 -9.854 8.497 8.016 1.00 1.34 H new ATOM 1036 N GLU A 578 -12.603 10.838 1.623 1.00 0.20 N ATOM 1037 CA GLU A 578 -13.651 11.762 1.204 1.00 0.24 C ATOM 1038 C GLU A 578 -14.266 11.322 -0.129 1.00 0.22 C ATOM 1039 O GLU A 578 -15.476 11.407 -0.327 1.00 0.26 O ATOM 1040 CB GLU A 578 -13.085 13.180 1.098 1.00 0.27 C ATOM 1041 CG GLU A 578 -12.576 13.721 2.427 1.00 0.31 C ATOM 1042 CD GLU A 578 -12.088 15.152 2.339 1.00 1.22 C ATOM 1043 OE1 GLU A 578 -12.905 16.073 2.532 1.00 1.29 O ATOM 1044 OE2 GLU A 578 -10.883 15.366 2.098 1.00 2.07 O ATOM 0 H GLU A 578 -11.696 11.005 1.187 1.00 0.20 H new ATOM 0 HA GLU A 578 -14.442 11.755 1.954 1.00 0.24 H new ATOM 0 HB2 GLU A 578 -12.270 13.186 0.374 1.00 0.27 H new ATOM 0 HB3 GLU A 578 -13.858 13.846 0.714 1.00 0.27 H new ATOM 0 HG2 GLU A 578 -13.374 13.661 3.167 1.00 0.31 H new ATOM 0 HG3 GLU A 578 -11.763 13.088 2.783 1.00 0.31 H new ATOM 1051 N LYS A 579 -13.416 10.839 -1.023 1.00 0.19 N ATOM 1052 CA LYS A 579 -13.834 10.313 -2.319 1.00 0.20 C ATOM 1053 C LYS A 579 -13.192 8.946 -2.546 1.00 0.17 C ATOM 1054 O LYS A 579 -12.158 8.830 -3.208 1.00 0.18 O ATOM 1055 CB LYS A 579 -13.431 11.270 -3.448 1.00 0.24 C ATOM 1056 CG LYS A 579 -14.198 12.585 -3.452 1.00 0.33 C ATOM 1057 CD LYS A 579 -15.681 12.378 -3.732 1.00 1.30 C ATOM 1058 CE LYS A 579 -15.915 11.720 -5.084 1.00 1.30 C ATOM 1059 NZ LYS A 579 -17.361 11.585 -5.394 1.00 2.07 N ATOM 0 H LYS A 579 -12.408 10.800 -0.870 1.00 0.19 H new ATOM 0 HA LYS A 579 -14.919 10.213 -2.323 1.00 0.20 H new ATOM 0 HB2 LYS A 579 -12.365 11.484 -3.366 1.00 0.24 H new ATOM 0 HB3 LYS A 579 -13.583 10.770 -4.405 1.00 0.24 H new ATOM 0 HG2 LYS A 579 -14.076 13.079 -2.488 1.00 0.33 H new ATOM 0 HG3 LYS A 579 -13.776 13.249 -4.206 1.00 0.33 H new ATOM 0 HD2 LYS A 579 -16.116 11.760 -2.947 1.00 1.30 H new ATOM 0 HD3 LYS A 579 -16.194 13.339 -3.702 1.00 1.30 H new ATOM 0 HE2 LYS A 579 -15.431 12.309 -5.863 1.00 1.30 H new ATOM 0 HE3 LYS A 579 -15.449 10.735 -5.093 1.00 1.30 H new ATOM 0 HZ1 LYS A 579 -17.476 11.132 -6.323 1.00 2.07 H new ATOM 0 HZ2 LYS A 579 -17.819 11.001 -4.665 1.00 2.07 H new ATOM 0 HZ3 LYS A 579 -17.802 12.527 -5.411 1.00 2.07 H new ATOM 1073 N PRO A 580 -13.798 7.898 -1.984 1.00 0.16 N ATOM 1074 CA PRO A 580 -13.237 6.542 -1.975 1.00 0.15 C ATOM 1075 C PRO A 580 -13.286 5.861 -3.341 1.00 0.16 C ATOM 1076 O PRO A 580 -14.048 6.259 -4.223 1.00 0.18 O ATOM 1077 CB PRO A 580 -14.113 5.801 -0.949 1.00 0.16 C ATOM 1078 CG PRO A 580 -14.908 6.870 -0.269 1.00 0.18 C ATOM 1079 CD PRO A 580 -15.089 7.937 -1.295 1.00 0.19 C ATOM 0 HA PRO A 580 -12.177 6.546 -1.723 1.00 0.15 H new ATOM 0 HB2 PRO A 580 -14.764 5.076 -1.438 1.00 0.16 H new ATOM 0 HB3 PRO A 580 -13.502 5.250 -0.234 1.00 0.16 H new ATOM 0 HG2 PRO A 580 -15.869 6.487 0.075 1.00 0.18 H new ATOM 0 HG3 PRO A 580 -14.385 7.252 0.608 1.00 0.18 H new ATOM 0 HD2 PRO A 580 -15.920 7.723 -1.967 1.00 0.19 H new ATOM 0 HD3 PRO A 580 -15.285 8.910 -0.845 1.00 0.19 H new ATOM 1087 N ALA A 581 -12.461 4.831 -3.504 1.00 0.16 N ATOM 1088 CA ALA A 581 -12.328 4.150 -4.784 1.00 0.19 C ATOM 1089 C ALA A 581 -13.283 2.968 -4.858 1.00 0.20 C ATOM 1090 O ALA A 581 -13.645 2.394 -3.836 1.00 0.20 O ATOM 1091 CB ALA A 581 -10.894 3.691 -4.994 1.00 0.20 C ATOM 0 H ALA A 581 -11.874 4.450 -2.762 1.00 0.16 H new ATOM 0 HA ALA A 581 -12.585 4.851 -5.578 1.00 0.19 H new ATOM 0 HB1 ALA A 581 -10.811 3.184 -5.955 1.00 0.20 H new ATOM 0 HB2 ALA A 581 -10.230 4.555 -4.981 1.00 0.20 H new ATOM 0 HB3 ALA A 581 -10.611 3.004 -4.196 1.00 0.20 H new ATOM 1097 N ILE A 582 -13.688 2.604 -6.065 1.00 0.28 N ATOM 1098 CA ILE A 582 -14.783 1.666 -6.239 1.00 0.31 C ATOM 1099 C ILE A 582 -14.366 0.417 -7.016 1.00 0.36 C ATOM 1100 O ILE A 582 -13.705 0.508 -8.051 1.00 0.44 O ATOM 1101 CB ILE A 582 -15.958 2.352 -6.972 1.00 0.41 C ATOM 1102 CG1 ILE A 582 -16.332 3.656 -6.259 1.00 0.43 C ATOM 1103 CG2 ILE A 582 -17.161 1.424 -7.052 1.00 0.49 C ATOM 1104 CD1 ILE A 582 -17.503 4.384 -6.880 1.00 0.54 C ATOM 0 H ILE A 582 -13.276 2.943 -6.934 1.00 0.28 H new ATOM 0 HA ILE A 582 -15.091 1.351 -5.242 1.00 0.31 H new ATOM 0 HB ILE A 582 -15.643 2.585 -7.989 1.00 0.41 H new ATOM 0 HG12 ILE A 582 -16.566 3.434 -5.218 1.00 0.43 H new ATOM 0 HG13 ILE A 582 -15.466 4.318 -6.257 1.00 0.43 H new ATOM 0 HG21 ILE A 582 -17.976 1.928 -7.572 1.00 0.49 H new ATOM 0 HG22 ILE A 582 -16.888 0.520 -7.596 1.00 0.49 H new ATOM 0 HG23 ILE A 582 -17.483 1.158 -6.045 1.00 0.49 H new ATOM 0 HD11 ILE A 582 -17.704 5.296 -6.318 1.00 0.54 H new ATOM 0 HD12 ILE A 582 -17.266 4.639 -7.913 1.00 0.54 H new ATOM 0 HD13 ILE A 582 -18.384 3.742 -6.858 1.00 0.54 H new ATOM 1116 N ILE A 583 -14.747 -0.748 -6.496 1.00 0.34 N ATOM 1117 CA ILE A 583 -14.587 -2.009 -7.217 1.00 0.41 C ATOM 1118 C ILE A 583 -15.942 -2.696 -7.378 1.00 0.44 C ATOM 1119 O ILE A 583 -16.603 -3.002 -6.389 1.00 0.45 O ATOM 1120 CB ILE A 583 -13.619 -2.985 -6.504 1.00 0.44 C ATOM 1121 CG1 ILE A 583 -12.208 -2.398 -6.440 1.00 0.46 C ATOM 1122 CG2 ILE A 583 -13.597 -4.334 -7.215 1.00 0.54 C ATOM 1123 CD1 ILE A 583 -11.184 -3.347 -5.848 1.00 0.73 C ATOM 0 H ILE A 583 -15.171 -0.845 -5.573 1.00 0.34 H new ATOM 0 HA ILE A 583 -14.161 -1.760 -8.189 1.00 0.41 H new ATOM 0 HB ILE A 583 -13.978 -3.134 -5.486 1.00 0.44 H new ATOM 0 HG12 ILE A 583 -11.894 -2.118 -7.445 1.00 0.46 H new ATOM 0 HG13 ILE A 583 -12.230 -1.484 -5.847 1.00 0.46 H new ATOM 0 HG21 ILE A 583 -12.911 -5.006 -6.699 1.00 0.54 H new ATOM 0 HG22 ILE A 583 -14.599 -4.764 -7.210 1.00 0.54 H new ATOM 0 HG23 ILE A 583 -13.266 -4.197 -8.244 1.00 0.54 H new ATOM 0 HD11 ILE A 583 -10.207 -2.865 -5.834 1.00 0.73 H new ATOM 0 HD12 ILE A 583 -11.475 -3.608 -4.830 1.00 0.73 H new ATOM 0 HD13 ILE A 583 -11.133 -4.252 -6.454 1.00 0.73 H new ATOM 1135 N ASN A 584 -16.353 -2.910 -8.629 1.00 0.51 N ATOM 1136 CA ASN A 584 -17.606 -3.609 -8.945 1.00 0.56 C ATOM 1137 C ASN A 584 -18.813 -2.950 -8.287 1.00 0.54 C ATOM 1138 O ASN A 584 -19.753 -3.629 -7.869 1.00 0.61 O ATOM 1139 CB ASN A 584 -17.541 -5.084 -8.534 1.00 0.67 C ATOM 1140 CG ASN A 584 -16.558 -5.885 -9.363 1.00 0.81 C ATOM 1141 OD1 ASN A 584 -16.287 -5.559 -10.520 1.00 1.46 O ATOM 1142 ND2 ASN A 584 -16.031 -6.950 -8.781 1.00 1.14 N ATOM 0 H ASN A 584 -15.831 -2.606 -9.451 1.00 0.51 H new ATOM 0 HA ASN A 584 -17.728 -3.545 -10.026 1.00 0.56 H new ATOM 0 HB2 ASN A 584 -17.261 -5.151 -7.483 1.00 0.67 H new ATOM 0 HB3 ASN A 584 -18.533 -5.526 -8.628 1.00 0.67 H new ATOM 0 HD21 ASN A 584 -15.373 -7.537 -9.293 1.00 1.14 H new ATOM 0 HD22 ASN A 584 -16.283 -7.184 -7.821 1.00 1.14 H new ATOM 1149 N GLY A 585 -18.786 -1.630 -8.195 1.00 0.52 N ATOM 1150 CA GLY A 585 -19.901 -0.908 -7.618 1.00 0.60 C ATOM 1151 C GLY A 585 -19.815 -0.806 -6.108 1.00 0.57 C ATOM 1152 O GLY A 585 -20.721 -0.280 -5.467 1.00 0.67 O ATOM 0 H GLY A 585 -18.012 -1.045 -8.509 1.00 0.52 H new ATOM 0 HA2 GLY A 585 -19.939 0.095 -8.044 1.00 0.60 H new ATOM 0 HA3 GLY A 585 -20.831 -1.406 -7.892 1.00 0.60 H new ATOM 1156 N GLU A 586 -18.733 -1.308 -5.535 1.00 0.49 N ATOM 1157 CA GLU A 586 -18.524 -1.213 -4.099 1.00 0.52 C ATOM 1158 C GLU A 586 -17.529 -0.105 -3.798 1.00 0.38 C ATOM 1159 O GLU A 586 -16.421 -0.099 -4.333 1.00 0.31 O ATOM 1160 CB GLU A 586 -17.993 -2.538 -3.549 1.00 0.64 C ATOM 1161 CG GLU A 586 -18.922 -3.714 -3.786 1.00 1.13 C ATOM 1162 CD GLU A 586 -20.209 -3.605 -2.996 1.00 1.27 C ATOM 1163 OE1 GLU A 586 -20.214 -3.954 -1.794 1.00 1.22 O ATOM 1164 OE2 GLU A 586 -21.229 -3.175 -3.575 1.00 1.93 O ATOM 0 H GLU A 586 -17.987 -1.785 -6.041 1.00 0.49 H new ATOM 0 HA GLU A 586 -19.478 -0.988 -3.621 1.00 0.52 H new ATOM 0 HB2 GLU A 586 -17.028 -2.751 -4.008 1.00 0.64 H new ATOM 0 HB3 GLU A 586 -17.820 -2.433 -2.478 1.00 0.64 H new ATOM 0 HG2 GLU A 586 -19.156 -3.779 -4.849 1.00 1.13 H new ATOM 0 HG3 GLU A 586 -18.410 -4.637 -3.515 1.00 1.13 H new ATOM 1171 N LYS A 587 -17.920 0.823 -2.944 1.00 0.42 N ATOM 1172 CA LYS A 587 -17.043 1.918 -2.571 1.00 0.35 C ATOM 1173 C LYS A 587 -16.151 1.493 -1.418 1.00 0.30 C ATOM 1174 O LYS A 587 -16.611 1.346 -0.285 1.00 0.38 O ATOM 1175 CB LYS A 587 -17.856 3.160 -2.191 1.00 0.46 C ATOM 1176 CG LYS A 587 -18.712 3.701 -3.329 1.00 0.57 C ATOM 1177 CD LYS A 587 -19.420 4.992 -2.945 1.00 0.78 C ATOM 1178 CE LYS A 587 -20.496 4.765 -1.894 1.00 1.44 C ATOM 1179 NZ LYS A 587 -21.586 3.890 -2.395 1.00 2.12 N ATOM 0 H LYS A 587 -18.836 0.841 -2.497 1.00 0.42 H new ATOM 0 HA LYS A 587 -16.419 2.173 -3.427 1.00 0.35 H new ATOM 0 HB2 LYS A 587 -18.501 2.917 -1.346 1.00 0.46 H new ATOM 0 HB3 LYS A 587 -17.174 3.942 -1.857 1.00 0.46 H new ATOM 0 HG2 LYS A 587 -18.084 3.878 -4.203 1.00 0.57 H new ATOM 0 HG3 LYS A 587 -19.452 2.953 -3.614 1.00 0.57 H new ATOM 0 HD2 LYS A 587 -18.689 5.707 -2.566 1.00 0.78 H new ATOM 0 HD3 LYS A 587 -19.870 5.436 -3.833 1.00 0.78 H new ATOM 0 HE2 LYS A 587 -20.048 4.315 -1.008 1.00 1.44 H new ATOM 0 HE3 LYS A 587 -20.913 5.725 -1.588 1.00 1.44 H new ATOM 0 HZ1 LYS A 587 -22.414 3.975 -1.771 1.00 2.12 H new ATOM 0 HZ2 LYS A 587 -21.848 4.179 -3.359 1.00 2.12 H new ATOM 0 HZ3 LYS A 587 -21.261 2.902 -2.406 1.00 2.12 H new ATOM 1193 N LEU A 588 -14.882 1.285 -1.714 1.00 0.21 N ATOM 1194 CA LEU A 588 -13.930 0.835 -0.717 1.00 0.19 C ATOM 1195 C LEU A 588 -13.443 2.003 0.098 1.00 0.17 C ATOM 1196 O LEU A 588 -13.037 3.026 -0.456 1.00 0.21 O ATOM 1197 CB LEU A 588 -12.708 0.194 -1.363 1.00 0.19 C ATOM 1198 CG LEU A 588 -12.985 -0.871 -2.415 1.00 0.23 C ATOM 1199 CD1 LEU A 588 -11.667 -1.412 -2.931 1.00 0.27 C ATOM 1200 CD2 LEU A 588 -13.844 -1.990 -1.847 1.00 0.28 C ATOM 0 H LEU A 588 -14.485 1.422 -2.644 1.00 0.21 H new ATOM 0 HA LEU A 588 -14.444 0.105 -0.092 1.00 0.19 H new ATOM 0 HB2 LEU A 588 -12.110 0.982 -1.822 1.00 0.19 H new ATOM 0 HB3 LEU A 588 -12.099 -0.251 -0.577 1.00 0.19 H new ATOM 0 HG LEU A 588 -13.540 -0.423 -3.240 1.00 0.23 H new ATOM 0 HD11 LEU A 588 -11.857 -2.176 -3.685 1.00 0.27 H new ATOM 0 HD12 LEU A 588 -11.089 -0.601 -3.374 1.00 0.27 H new ATOM 0 HD13 LEU A 588 -11.105 -1.849 -2.106 1.00 0.27 H new ATOM 0 HD21 LEU A 588 -14.026 -2.737 -2.620 1.00 0.28 H new ATOM 0 HD22 LEU A 588 -13.327 -2.455 -1.008 1.00 0.28 H new ATOM 0 HD23 LEU A 588 -14.795 -1.581 -1.506 1.00 0.28 H new ATOM 1212 N LEU A 589 -13.458 1.862 1.402 1.00 0.18 N ATOM 1213 CA LEU A 589 -12.840 2.860 2.226 1.00 0.18 C ATOM 1214 C LEU A 589 -11.353 2.561 2.308 1.00 0.15 C ATOM 1215 O LEU A 589 -10.927 1.602 2.957 1.00 0.17 O ATOM 1216 CB LEU A 589 -13.475 2.897 3.618 1.00 0.23 C ATOM 1217 CG LEU A 589 -12.929 3.979 4.558 1.00 0.29 C ATOM 1218 CD1 LEU A 589 -13.011 5.353 3.909 1.00 0.36 C ATOM 1219 CD2 LEU A 589 -13.693 3.971 5.871 1.00 0.38 C ATOM 0 H LEU A 589 -13.883 1.082 1.903 1.00 0.18 H new ATOM 0 HA LEU A 589 -12.991 3.845 1.785 1.00 0.18 H new ATOM 0 HB2 LEU A 589 -14.549 3.045 3.506 1.00 0.23 H new ATOM 0 HB3 LEU A 589 -13.334 1.924 4.090 1.00 0.23 H new ATOM 0 HG LEU A 589 -11.881 3.758 4.759 1.00 0.29 H new ATOM 0 HD11 LEU A 589 -12.618 6.103 4.595 1.00 0.36 H new ATOM 0 HD12 LEU A 589 -12.423 5.357 2.991 1.00 0.36 H new ATOM 0 HD13 LEU A 589 -14.050 5.584 3.676 1.00 0.36 H new ATOM 0 HD21 LEU A 589 -13.295 4.744 6.528 1.00 0.38 H new ATOM 0 HD22 LEU A 589 -14.748 4.166 5.679 1.00 0.38 H new ATOM 0 HD23 LEU A 589 -13.585 2.997 6.349 1.00 0.38 H new ATOM 1231 N ILE A 590 -10.573 3.384 1.633 1.00 0.14 N ATOM 1232 CA ILE A 590 -9.131 3.275 1.683 1.00 0.13 C ATOM 1233 C ILE A 590 -8.628 4.251 2.732 1.00 0.15 C ATOM 1234 O ILE A 590 -8.789 5.463 2.589 1.00 0.17 O ATOM 1235 CB ILE A 590 -8.487 3.614 0.313 1.00 0.13 C ATOM 1236 CG1 ILE A 590 -9.029 2.707 -0.799 1.00 0.14 C ATOM 1237 CG2 ILE A 590 -6.969 3.509 0.390 1.00 0.16 C ATOM 1238 CD1 ILE A 590 -8.436 3.001 -2.171 1.00 0.15 C ATOM 0 H ILE A 590 -10.918 4.139 1.041 1.00 0.14 H new ATOM 0 HA ILE A 590 -8.857 2.250 1.931 1.00 0.13 H new ATOM 0 HB ILE A 590 -8.754 4.642 0.069 1.00 0.13 H new ATOM 0 HG12 ILE A 590 -8.826 1.668 -0.540 1.00 0.14 H new ATOM 0 HG13 ILE A 590 -10.112 2.817 -0.850 1.00 0.14 H new ATOM 0 HG21 ILE A 590 -6.538 3.751 -0.581 1.00 0.16 H new ATOM 0 HG22 ILE A 590 -6.593 4.208 1.138 1.00 0.16 H new ATOM 0 HG23 ILE A 590 -6.688 2.493 0.669 1.00 0.16 H new ATOM 0 HD11 ILE A 590 -8.866 2.321 -2.906 1.00 0.15 H new ATOM 0 HD12 ILE A 590 -8.662 4.030 -2.452 1.00 0.15 H new ATOM 0 HD13 ILE A 590 -7.355 2.863 -2.137 1.00 0.15 H new ATOM 1250 N ARG A 591 -8.042 3.725 3.796 1.00 0.16 N ATOM 1251 CA ARG A 591 -7.684 4.559 4.937 1.00 0.21 C ATOM 1252 C ARG A 591 -6.378 4.129 5.593 1.00 0.14 C ATOM 1253 O ARG A 591 -5.917 3.004 5.420 1.00 0.18 O ATOM 1254 CB ARG A 591 -8.824 4.582 5.959 1.00 0.35 C ATOM 1255 CG ARG A 591 -9.435 3.221 6.244 1.00 0.78 C ATOM 1256 CD ARG A 591 -10.518 3.317 7.308 1.00 0.82 C ATOM 1257 NE ARG A 591 -11.283 2.075 7.432 1.00 1.59 N ATOM 1258 CZ ARG A 591 -11.978 1.729 8.520 1.00 1.92 C ATOM 1259 NH1 ARG A 591 -11.988 2.517 9.589 1.00 1.57 N ATOM 1260 NH2 ARG A 591 -12.670 0.596 8.531 1.00 3.00 N ATOM 0 H ARG A 591 -7.806 2.738 3.895 1.00 0.16 H new ATOM 0 HA ARG A 591 -7.524 5.568 4.558 1.00 0.21 H new ATOM 0 HB2 ARG A 591 -8.451 5.003 6.893 1.00 0.35 H new ATOM 0 HB3 ARG A 591 -9.606 5.250 5.599 1.00 0.35 H new ATOM 0 HG2 ARG A 591 -9.857 2.810 5.327 1.00 0.78 H new ATOM 0 HG3 ARG A 591 -8.657 2.532 6.574 1.00 0.78 H new ATOM 0 HD2 ARG A 591 -10.061 3.558 8.268 1.00 0.82 H new ATOM 0 HD3 ARG A 591 -11.195 4.136 7.062 1.00 0.82 H new ATOM 0 HE ARG A 591 -11.286 1.434 6.639 1.00 1.59 H new ATOM 0 HH11 ARG A 591 -11.463 3.392 9.583 1.00 1.57 H new ATOM 0 HH12 ARG A 591 -12.520 2.247 10.416 1.00 1.57 H new ATOM 0 HH21 ARG A 591 -12.671 -0.009 7.710 1.00 3.00 H new ATOM 0 HH22 ARG A 591 -13.201 0.331 9.361 1.00 3.00 H new ATOM 1274 N MET A 592 -5.801 5.043 6.366 1.00 0.15 N ATOM 1275 CA MET A 592 -4.490 4.848 6.977 1.00 0.16 C ATOM 1276 C MET A 592 -4.522 3.678 7.957 1.00 0.22 C ATOM 1277 O MET A 592 -5.499 3.500 8.686 1.00 0.33 O ATOM 1278 CB MET A 592 -4.065 6.127 7.716 1.00 0.19 C ATOM 1279 CG MET A 592 -4.029 7.382 6.852 1.00 0.21 C ATOM 1280 SD MET A 592 -2.354 7.867 6.375 1.00 0.21 S ATOM 1281 CE MET A 592 -1.794 6.423 5.479 1.00 0.21 C ATOM 0 H MET A 592 -6.230 5.942 6.587 1.00 0.15 H new ATOM 0 HA MET A 592 -3.771 4.625 6.189 1.00 0.16 H new ATOM 0 HB2 MET A 592 -4.750 6.294 8.547 1.00 0.19 H new ATOM 0 HB3 MET A 592 -3.076 5.970 8.145 1.00 0.19 H new ATOM 0 HG2 MET A 592 -4.622 7.214 5.953 1.00 0.21 H new ATOM 0 HG3 MET A 592 -4.498 8.203 7.394 1.00 0.21 H new ATOM 0 HE1 MET A 592 -0.711 6.466 5.360 1.00 0.21 H new ATOM 0 HE2 MET A 592 -2.063 5.524 6.034 1.00 0.21 H new ATOM 0 HE3 MET A 592 -2.266 6.398 4.497 1.00 0.21 H new ATOM 1291 N SER A 593 -3.476 2.865 7.959 1.00 0.21 N ATOM 1292 CA SER A 593 -3.388 1.757 8.894 1.00 0.31 C ATOM 1293 C SER A 593 -2.763 2.224 10.198 1.00 0.37 C ATOM 1294 O SER A 593 -1.692 2.831 10.201 1.00 0.40 O ATOM 1295 CB SER A 593 -2.571 0.603 8.306 1.00 0.37 C ATOM 1296 OG SER A 593 -2.572 -0.523 9.174 1.00 1.04 O ATOM 0 H SER A 593 -2.681 2.952 7.326 1.00 0.21 H new ATOM 0 HA SER A 593 -4.398 1.395 9.088 1.00 0.31 H new ATOM 0 HB2 SER A 593 -2.983 0.319 7.338 1.00 0.37 H new ATOM 0 HB3 SER A 593 -1.546 0.931 8.133 1.00 0.37 H new ATOM 0 HG SER A 593 -2.045 -1.245 8.773 1.00 1.04 H new ATOM 1302 N THR A 594 -3.443 1.957 11.296 1.00 0.50 N ATOM 1303 CA THR A 594 -2.939 2.311 12.606 1.00 0.65 C ATOM 1304 C THR A 594 -2.180 1.143 13.227 1.00 0.68 C ATOM 1305 O THR A 594 -1.389 1.323 14.156 1.00 0.90 O ATOM 1306 CB THR A 594 -4.093 2.736 13.531 1.00 0.83 C ATOM 1307 OG1 THR A 594 -5.148 1.767 13.464 1.00 1.53 O ATOM 1308 CG2 THR A 594 -4.629 4.105 13.136 1.00 1.60 C ATOM 0 H THR A 594 -4.351 1.493 11.305 1.00 0.50 H new ATOM 0 HA THR A 594 -2.253 3.150 12.488 1.00 0.65 H new ATOM 0 HB THR A 594 -3.713 2.795 14.551 1.00 0.83 H new ATOM 0 HG1 THR A 594 -5.880 2.039 14.055 1.00 1.53 H new ATOM 0 HG21 THR A 594 -5.444 4.383 13.804 1.00 1.60 H new ATOM 0 HG22 THR A 594 -3.831 4.843 13.210 1.00 1.60 H new ATOM 0 HG23 THR A 594 -4.997 4.070 12.111 1.00 1.60 H new ATOM 1316 N ARG A 595 -2.415 -0.054 12.697 1.00 0.61 N ATOM 1317 CA ARG A 595 -1.781 -1.257 13.223 1.00 0.68 C ATOM 1318 C ARG A 595 -0.389 -1.444 12.630 1.00 0.59 C ATOM 1319 O ARG A 595 0.556 -1.787 13.340 1.00 0.65 O ATOM 1320 CB ARG A 595 -2.631 -2.493 12.922 1.00 0.77 C ATOM 1321 CG ARG A 595 -4.012 -2.478 13.555 1.00 0.92 C ATOM 1322 CD ARG A 595 -4.746 -3.780 13.275 1.00 1.13 C ATOM 1323 NE ARG A 595 -6.129 -3.758 13.743 1.00 1.57 N ATOM 1324 CZ ARG A 595 -6.993 -4.756 13.550 1.00 2.07 C ATOM 1325 NH1 ARG A 595 -6.602 -5.873 12.947 1.00 2.22 N ATOM 1326 NH2 ARG A 595 -8.244 -4.643 13.966 1.00 2.94 N ATOM 0 H ARG A 595 -3.038 -0.216 11.906 1.00 0.61 H new ATOM 0 HA ARG A 595 -1.693 -1.137 14.303 1.00 0.68 H new ATOM 0 HB2 ARG A 595 -2.741 -2.588 11.842 1.00 0.77 H new ATOM 0 HB3 ARG A 595 -2.097 -3.378 13.267 1.00 0.77 H new ATOM 0 HG2 ARG A 595 -3.923 -2.329 14.631 1.00 0.92 H new ATOM 0 HG3 ARG A 595 -4.588 -1.639 13.164 1.00 0.92 H new ATOM 0 HD2 ARG A 595 -4.732 -3.977 12.203 1.00 1.13 H new ATOM 0 HD3 ARG A 595 -4.217 -4.602 13.757 1.00 1.13 H new ATOM 0 HE ARG A 595 -6.453 -2.932 14.246 1.00 1.57 H new ATOM 0 HH11 ARG A 595 -5.638 -5.970 12.629 1.00 2.22 H new ATOM 0 HH12 ARG A 595 -7.266 -6.633 12.802 1.00 2.22 H new ATOM 0 HH21 ARG A 595 -8.550 -3.791 14.436 1.00 2.94 H new ATOM 0 HH22 ARG A 595 -8.902 -5.408 13.817 1.00 2.94 H new ATOM 1340 N TYR A 596 -0.261 -1.199 11.334 1.00 0.52 N ATOM 1341 CA TYR A 596 1.018 -1.355 10.654 1.00 0.43 C ATOM 1342 C TYR A 596 1.591 0.007 10.305 1.00 0.45 C ATOM 1343 O TYR A 596 0.878 0.869 9.794 1.00 0.50 O ATOM 1344 CB TYR A 596 0.848 -2.164 9.360 1.00 0.44 C ATOM 1345 CG TYR A 596 0.458 -3.615 9.552 1.00 0.51 C ATOM 1346 CD1 TYR A 596 1.313 -4.635 9.155 1.00 0.61 C ATOM 1347 CD2 TYR A 596 -0.763 -3.966 10.113 1.00 0.84 C ATOM 1348 CE1 TYR A 596 0.965 -5.962 9.313 1.00 0.68 C ATOM 1349 CE2 TYR A 596 -1.118 -5.290 10.278 1.00 0.93 C ATOM 1350 CZ TYR A 596 -0.252 -6.284 9.877 1.00 0.72 C ATOM 1351 OH TYR A 596 -0.605 -7.605 10.037 1.00 0.83 O ATOM 0 H TYR A 596 -1.025 -0.892 10.732 1.00 0.52 H new ATOM 0 HA TYR A 596 1.695 -1.884 11.325 1.00 0.43 H new ATOM 0 HB2 TYR A 596 0.090 -1.679 8.745 1.00 0.44 H new ATOM 0 HB3 TYR A 596 1.784 -2.127 8.802 1.00 0.44 H new ATOM 0 HD1 TYR A 596 2.267 -4.386 8.715 1.00 0.61 H new ATOM 0 HD2 TYR A 596 -1.446 -3.190 10.425 1.00 0.84 H new ATOM 0 HE1 TYR A 596 1.641 -6.743 8.997 1.00 0.68 H new ATOM 0 HE2 TYR A 596 -2.070 -5.545 10.719 1.00 0.93 H new ATOM 0 HH TYR A 596 -1.492 -7.659 10.450 1.00 0.83 H new ATOM 1361 N LYS A 597 2.870 0.207 10.590 1.00 0.47 N ATOM 1362 CA LYS A 597 3.549 1.415 10.150 1.00 0.54 C ATOM 1363 C LYS A 597 4.197 1.166 8.800 1.00 0.48 C ATOM 1364 O LYS A 597 4.155 2.011 7.919 1.00 0.55 O ATOM 1365 CB LYS A 597 4.614 1.870 11.146 1.00 0.66 C ATOM 1366 CG LYS A 597 5.026 3.322 10.941 1.00 1.32 C ATOM 1367 CD LYS A 597 6.406 3.617 11.507 1.00 1.99 C ATOM 1368 CE LYS A 597 7.506 3.050 10.623 1.00 2.64 C ATOM 1369 NZ LYS A 597 7.475 3.623 9.247 1.00 3.40 N ATOM 0 H LYS A 597 3.452 -0.444 11.118 1.00 0.47 H new ATOM 0 HA LYS A 597 2.803 2.206 10.076 1.00 0.54 H new ATOM 0 HB2 LYS A 597 4.235 1.743 12.160 1.00 0.66 H new ATOM 0 HB3 LYS A 597 5.492 1.230 11.051 1.00 0.66 H new ATOM 0 HG2 LYS A 597 5.016 3.553 9.876 1.00 1.32 H new ATOM 0 HG3 LYS A 597 4.294 3.975 11.416 1.00 1.32 H new ATOM 0 HD2 LYS A 597 6.537 4.695 11.606 1.00 1.99 H new ATOM 0 HD3 LYS A 597 6.488 3.193 12.508 1.00 1.99 H new ATOM 0 HE2 LYS A 597 8.476 3.253 11.077 1.00 2.64 H new ATOM 0 HE3 LYS A 597 7.401 1.967 10.566 1.00 2.64 H new ATOM 0 HZ1 LYS A 597 8.371 3.413 8.763 1.00 3.40 H new ATOM 0 HZ2 LYS A 597 6.687 3.203 8.714 1.00 3.40 H new ATOM 0 HZ3 LYS A 597 7.345 4.653 9.303 1.00 3.40 H new ATOM 1383 N GLU A 598 4.798 -0.009 8.661 1.00 0.42 N ATOM 1384 CA GLU A 598 5.460 -0.402 7.425 1.00 0.41 C ATOM 1385 C GLU A 598 5.317 -1.903 7.199 1.00 0.36 C ATOM 1386 O GLU A 598 5.190 -2.679 8.153 1.00 0.40 O ATOM 1387 CB GLU A 598 6.937 0.027 7.434 1.00 0.55 C ATOM 1388 CG GLU A 598 7.647 -0.122 8.776 1.00 0.88 C ATOM 1389 CD GLU A 598 8.013 -1.551 9.119 1.00 1.31 C ATOM 1390 OE1 GLU A 598 8.928 -2.105 8.473 1.00 2.02 O ATOM 1391 OE2 GLU A 598 7.366 -2.135 10.009 1.00 1.53 O ATOM 0 H GLU A 598 4.840 -0.713 9.398 1.00 0.42 H new ATOM 0 HA GLU A 598 4.975 0.111 6.594 1.00 0.41 H new ATOM 0 HB2 GLU A 598 7.474 -0.560 6.689 1.00 0.55 H new ATOM 0 HB3 GLU A 598 6.998 1.070 7.122 1.00 0.55 H new ATOM 0 HG2 GLU A 598 8.554 0.483 8.766 1.00 0.88 H new ATOM 0 HG3 GLU A 598 7.006 0.278 9.562 1.00 0.88 H new ATOM 1398 N LEU A 599 5.291 -2.303 5.939 1.00 0.33 N ATOM 1399 CA LEU A 599 5.111 -3.702 5.583 1.00 0.34 C ATOM 1400 C LEU A 599 6.434 -4.426 5.417 1.00 0.46 C ATOM 1401 O LEU A 599 7.224 -4.115 4.524 1.00 1.02 O ATOM 1402 CB LEU A 599 4.296 -3.855 4.295 1.00 0.32 C ATOM 1403 CG LEU A 599 2.814 -3.480 4.397 1.00 0.24 C ATOM 1404 CD1 LEU A 599 2.083 -3.815 3.112 1.00 0.29 C ATOM 1405 CD2 LEU A 599 2.154 -4.203 5.554 1.00 0.29 C ATOM 0 H LEU A 599 5.393 -1.676 5.141 1.00 0.33 H new ATOM 0 HA LEU A 599 4.566 -4.154 6.412 1.00 0.34 H new ATOM 0 HB2 LEU A 599 4.755 -3.239 3.521 1.00 0.32 H new ATOM 0 HB3 LEU A 599 4.368 -4.891 3.963 1.00 0.32 H new ATOM 0 HG LEU A 599 2.757 -2.405 4.569 1.00 0.24 H new ATOM 0 HD11 LEU A 599 1.033 -3.540 3.209 1.00 0.29 H new ATOM 0 HD12 LEU A 599 2.529 -3.262 2.285 1.00 0.29 H new ATOM 0 HD13 LEU A 599 2.161 -4.885 2.917 1.00 0.29 H new ATOM 0 HD21 LEU A 599 1.102 -3.921 5.607 1.00 0.29 H new ATOM 0 HD22 LEU A 599 2.234 -5.280 5.404 1.00 0.29 H new ATOM 0 HD23 LEU A 599 2.650 -3.929 6.485 1.00 0.29 H new ATOM 1417 N GLN A 600 6.663 -5.392 6.288 1.00 0.94 N ATOM 1418 CA GLN A 600 7.752 -6.331 6.114 1.00 1.11 C ATOM 1419 C GLN A 600 7.161 -7.637 5.609 1.00 1.03 C ATOM 1420 O GLN A 600 6.544 -8.383 6.372 1.00 1.20 O ATOM 1421 CB GLN A 600 8.503 -6.553 7.428 1.00 1.38 C ATOM 1422 CG GLN A 600 8.943 -5.263 8.099 1.00 1.57 C ATOM 1423 CD GLN A 600 9.801 -5.500 9.327 1.00 2.23 C ATOM 1424 OE1 GLN A 600 9.698 -6.534 9.989 1.00 2.77 O ATOM 1425 NE2 GLN A 600 10.639 -4.531 9.652 1.00 2.87 N ATOM 0 H GLN A 600 6.104 -5.546 7.128 1.00 0.94 H new ATOM 0 HA GLN A 600 8.472 -5.936 5.397 1.00 1.11 H new ATOM 0 HB2 GLN A 600 7.864 -7.110 8.113 1.00 1.38 H new ATOM 0 HB3 GLN A 600 9.380 -7.171 7.236 1.00 1.38 H new ATOM 0 HG2 GLN A 600 9.501 -4.659 7.383 1.00 1.57 H new ATOM 0 HG3 GLN A 600 8.062 -4.688 8.383 1.00 1.57 H new ATOM 0 HE21 GLN A 600 10.694 -3.690 9.077 1.00 2.87 H new ATOM 0 HE22 GLN A 600 11.231 -4.624 10.478 1.00 2.87 H new ATOM 1434 N LEU A 601 7.321 -7.889 4.320 1.00 0.91 N ATOM 1435 CA LEU A 601 6.649 -9.005 3.667 1.00 0.91 C ATOM 1436 C LEU A 601 7.108 -10.345 4.221 1.00 1.26 C ATOM 1437 O LEU A 601 8.279 -10.534 4.557 1.00 1.47 O ATOM 1438 CB LEU A 601 6.868 -8.961 2.155 1.00 0.80 C ATOM 1439 CG LEU A 601 6.359 -7.698 1.458 1.00 0.75 C ATOM 1440 CD1 LEU A 601 6.453 -7.852 -0.049 1.00 0.94 C ATOM 1441 CD2 LEU A 601 4.929 -7.392 1.874 1.00 0.79 C ATOM 0 H LEU A 601 7.913 -7.334 3.701 1.00 0.91 H new ATOM 0 HA LEU A 601 5.584 -8.903 3.875 1.00 0.91 H new ATOM 0 HB2 LEU A 601 7.935 -9.061 1.956 1.00 0.80 H new ATOM 0 HB3 LEU A 601 6.378 -9.826 1.708 1.00 0.80 H new ATOM 0 HG LEU A 601 6.988 -6.861 1.762 1.00 0.75 H new ATOM 0 HD11 LEU A 601 6.087 -6.945 -0.531 1.00 0.94 H new ATOM 0 HD12 LEU A 601 7.492 -8.020 -0.333 1.00 0.94 H new ATOM 0 HD13 LEU A 601 5.848 -8.701 -0.366 1.00 0.94 H new ATOM 0 HD21 LEU A 601 4.588 -6.490 1.366 1.00 0.79 H new ATOM 0 HD22 LEU A 601 4.284 -8.228 1.602 1.00 0.79 H new ATOM 0 HD23 LEU A 601 4.889 -7.239 2.952 1.00 0.79 H new ATOM 1453 N LYS A 602 6.163 -11.267 4.316 1.00 1.65 N ATOM 1454 CA LYS A 602 6.429 -12.604 4.821 1.00 2.08 C ATOM 1455 C LYS A 602 6.556 -13.578 3.655 1.00 2.40 C ATOM 1456 O LYS A 602 6.657 -14.790 3.843 1.00 2.85 O ATOM 1457 CB LYS A 602 5.295 -13.048 5.747 1.00 2.75 C ATOM 1458 CG LYS A 602 4.940 -12.030 6.819 1.00 3.34 C ATOM 1459 CD LYS A 602 3.794 -12.520 7.691 1.00 3.83 C ATOM 1460 CE LYS A 602 3.292 -11.434 8.630 1.00 4.79 C ATOM 1461 NZ LYS A 602 4.361 -10.932 9.531 1.00 5.40 N ATOM 0 H LYS A 602 5.192 -11.110 4.046 1.00 1.65 H new ATOM 0 HA LYS A 602 7.362 -12.594 5.384 1.00 2.08 H new ATOM 0 HB2 LYS A 602 4.408 -13.253 5.147 1.00 2.75 H new ATOM 0 HB3 LYS A 602 5.578 -13.984 6.228 1.00 2.75 H new ATOM 0 HG2 LYS A 602 5.814 -11.834 7.440 1.00 3.34 H new ATOM 0 HG3 LYS A 602 4.664 -11.086 6.349 1.00 3.34 H new ATOM 0 HD2 LYS A 602 2.975 -12.859 7.057 1.00 3.83 H new ATOM 0 HD3 LYS A 602 4.123 -13.380 8.274 1.00 3.83 H new ATOM 0 HE2 LYS A 602 2.894 -10.605 8.044 1.00 4.79 H new ATOM 0 HE3 LYS A 602 2.469 -11.825 9.228 1.00 4.79 H new ATOM 0 HZ1 LYS A 602 3.949 -10.282 10.230 1.00 5.40 H new ATOM 0 HZ2 LYS A 602 4.805 -11.733 10.023 1.00 5.40 H new ATOM 0 HZ3 LYS A 602 5.079 -10.429 8.971 1.00 5.40 H new ATOM 1475 N LYS A 603 6.539 -13.028 2.448 1.00 2.61 N ATOM 1476 CA LYS A 603 6.617 -13.823 1.230 1.00 3.34 C ATOM 1477 C LYS A 603 7.981 -13.630 0.572 1.00 3.77 C ATOM 1478 O LYS A 603 8.576 -12.556 0.683 1.00 3.93 O ATOM 1479 CB LYS A 603 5.498 -13.409 0.270 1.00 3.80 C ATOM 1480 CG LYS A 603 4.107 -13.521 0.879 1.00 3.82 C ATOM 1481 CD LYS A 603 3.024 -13.047 -0.078 1.00 4.67 C ATOM 1482 CE LYS A 603 2.909 -13.949 -1.298 1.00 5.28 C ATOM 1483 NZ LYS A 603 2.536 -15.341 -0.930 1.00 5.81 N ATOM 0 H LYS A 603 6.471 -12.023 2.286 1.00 2.61 H new ATOM 0 HA LYS A 603 6.495 -14.877 1.478 1.00 3.34 H new ATOM 0 HB2 LYS A 603 5.665 -12.380 -0.049 1.00 3.80 H new ATOM 0 HB3 LYS A 603 5.547 -14.032 -0.623 1.00 3.80 H new ATOM 0 HG2 LYS A 603 3.916 -14.557 1.157 1.00 3.82 H new ATOM 0 HG3 LYS A 603 4.064 -12.932 1.795 1.00 3.82 H new ATOM 0 HD2 LYS A 603 2.067 -13.018 0.443 1.00 4.67 H new ATOM 0 HD3 LYS A 603 3.244 -12.029 -0.399 1.00 4.67 H new ATOM 0 HE2 LYS A 603 2.163 -13.542 -1.980 1.00 5.28 H new ATOM 0 HE3 LYS A 603 3.859 -13.958 -1.833 1.00 5.28 H new ATOM 0 HZ1 LYS A 603 2.222 -15.852 -1.779 1.00 5.81 H new ATOM 0 HZ2 LYS A 603 3.360 -15.824 -0.520 1.00 5.81 H new ATOM 0 HZ3 LYS A 603 1.764 -15.321 -0.233 1.00 5.81 H new ATOM 1497 N PRO A 604 8.496 -14.665 -0.114 1.00 4.28 N ATOM 1498 CA PRO A 604 9.828 -14.631 -0.733 1.00 4.95 C ATOM 1499 C PRO A 604 9.879 -13.784 -2.006 1.00 5.58 C ATOM 1500 O PRO A 604 10.117 -14.296 -3.101 1.00 6.24 O ATOM 1501 CB PRO A 604 10.102 -16.100 -1.055 1.00 5.41 C ATOM 1502 CG PRO A 604 8.753 -16.698 -1.260 1.00 5.22 C ATOM 1503 CD PRO A 604 7.824 -15.963 -0.332 1.00 4.53 C ATOM 0 HA PRO A 604 10.565 -14.174 -0.073 1.00 4.95 H new ATOM 0 HB2 PRO A 604 10.720 -16.202 -1.947 1.00 5.41 H new ATOM 0 HB3 PRO A 604 10.634 -16.592 -0.241 1.00 5.41 H new ATOM 0 HG2 PRO A 604 8.433 -16.591 -2.296 1.00 5.22 H new ATOM 0 HG3 PRO A 604 8.762 -17.765 -1.038 1.00 5.22 H new ATOM 0 HD2 PRO A 604 6.837 -15.833 -0.775 1.00 4.53 H new ATOM 0 HD3 PRO A 604 7.684 -16.503 0.604 1.00 4.53 H new ATOM 1511 N GLY A 605 9.651 -12.491 -1.854 1.00 5.67 N ATOM 1512 CA GLY A 605 9.736 -11.573 -2.969 1.00 6.43 C ATOM 1513 C GLY A 605 10.044 -10.173 -2.496 1.00 6.54 C ATOM 1514 O GLY A 605 10.041 -9.925 -1.289 1.00 6.90 O ATOM 0 H GLY A 605 9.405 -12.055 -0.965 1.00 5.67 H new ATOM 0 HA2 GLY A 605 10.511 -11.906 -3.660 1.00 6.43 H new ATOM 0 HA3 GLY A 605 8.795 -11.576 -3.519 1.00 6.43 H new ATOM 1518 N LYS A 606 10.312 -9.270 -3.441 1.00 6.51 N ATOM 1519 CA LYS A 606 10.599 -7.862 -3.144 1.00 6.84 C ATOM 1520 C LYS A 606 11.968 -7.668 -2.493 1.00 7.03 C ATOM 1521 O LYS A 606 12.428 -8.497 -1.703 1.00 7.23 O ATOM 1522 CB LYS A 606 9.513 -7.254 -2.248 1.00 7.17 C ATOM 1523 CG LYS A 606 8.197 -6.992 -2.959 1.00 7.39 C ATOM 1524 CD LYS A 606 8.282 -5.771 -3.856 1.00 7.67 C ATOM 1525 CE LYS A 606 6.944 -5.465 -4.499 1.00 8.32 C ATOM 1526 NZ LYS A 606 6.969 -4.177 -5.237 1.00 8.87 N ATOM 0 H LYS A 606 10.337 -9.493 -4.436 1.00 6.51 H new ATOM 0 HA LYS A 606 10.608 -7.344 -4.103 1.00 6.84 H new ATOM 0 HB2 LYS A 606 9.332 -7.925 -1.408 1.00 7.17 H new ATOM 0 HB3 LYS A 606 9.882 -6.316 -1.833 1.00 7.17 H new ATOM 0 HG2 LYS A 606 7.924 -7.863 -3.554 1.00 7.39 H new ATOM 0 HG3 LYS A 606 7.407 -6.849 -2.222 1.00 7.39 H new ATOM 0 HD2 LYS A 606 8.613 -4.911 -3.273 1.00 7.67 H new ATOM 0 HD3 LYS A 606 9.030 -5.938 -4.631 1.00 7.67 H new ATOM 0 HE2 LYS A 606 6.677 -6.271 -5.183 1.00 8.32 H new ATOM 0 HE3 LYS A 606 6.171 -5.429 -3.731 1.00 8.32 H new ATOM 0 HZ1 LYS A 606 6.179 -4.149 -5.913 1.00 8.87 H new ATOM 0 HZ2 LYS A 606 6.877 -3.389 -4.564 1.00 8.87 H new ATOM 0 HZ3 LYS A 606 7.869 -4.089 -5.751 1.00 8.87 H new ATOM 1540 N ASN A 607 12.608 -6.559 -2.857 1.00 7.27 N ATOM 1541 CA ASN A 607 13.866 -6.124 -2.253 1.00 7.71 C ATOM 1542 C ASN A 607 14.978 -7.151 -2.458 1.00 7.98 C ATOM 1543 O ASN A 607 15.275 -7.955 -1.571 1.00 8.28 O ATOM 1544 CB ASN A 607 13.680 -5.837 -0.758 1.00 8.22 C ATOM 1545 CG ASN A 607 14.844 -5.068 -0.159 1.00 8.75 C ATOM 1546 OD1 ASN A 607 14.847 -3.835 -0.150 1.00 8.98 O ATOM 1547 ND2 ASN A 607 15.834 -5.782 0.355 1.00 9.21 N ATOM 0 H ASN A 607 12.266 -5.932 -3.585 1.00 7.27 H new ATOM 0 HA ASN A 607 14.164 -5.204 -2.755 1.00 7.71 H new ATOM 0 HB2 ASN A 607 12.761 -5.268 -0.613 1.00 8.22 H new ATOM 0 HB3 ASN A 607 13.559 -6.779 -0.224 1.00 8.22 H new ATOM 0 HD21 ASN A 607 16.635 -5.313 0.777 1.00 9.21 H new ATOM 0 HD22 ASN A 607 15.795 -6.801 0.329 1.00 9.21 H new ATOM 1554 N VAL A 608 15.578 -7.128 -3.638 1.00 8.13 N ATOM 1555 CA VAL A 608 16.750 -7.946 -3.916 1.00 8.64 C ATOM 1556 C VAL A 608 17.931 -7.406 -3.120 1.00 8.86 C ATOM 1557 O VAL A 608 18.643 -8.150 -2.444 1.00 9.33 O ATOM 1558 CB VAL A 608 17.094 -7.949 -5.423 1.00 8.90 C ATOM 1559 CG1 VAL A 608 18.306 -8.823 -5.707 1.00 9.63 C ATOM 1560 CG2 VAL A 608 15.900 -8.412 -6.242 1.00 8.95 C ATOM 0 H VAL A 608 15.272 -6.550 -4.421 1.00 8.13 H new ATOM 0 HA VAL A 608 16.533 -8.973 -3.622 1.00 8.64 H new ATOM 0 HB VAL A 608 17.340 -6.928 -5.713 1.00 8.90 H new ATOM 0 HG11 VAL A 608 18.525 -8.806 -6.775 1.00 9.63 H new ATOM 0 HG12 VAL A 608 19.166 -8.444 -5.154 1.00 9.63 H new ATOM 0 HG13 VAL A 608 18.097 -9.847 -5.396 1.00 9.63 H new ATOM 0 HG21 VAL A 608 16.161 -8.408 -7.300 1.00 8.95 H new ATOM 0 HG22 VAL A 608 15.622 -9.422 -5.941 1.00 8.95 H new ATOM 0 HG23 VAL A 608 15.060 -7.739 -6.073 1.00 8.95 H new ATOM 1570 N ALA A 609 18.127 -6.100 -3.216 1.00 8.74 N ATOM 1571 CA ALA A 609 19.086 -5.399 -2.386 1.00 9.13 C ATOM 1572 C ALA A 609 18.418 -4.181 -1.768 1.00 8.90 C ATOM 1573 O ALA A 609 18.318 -4.069 -0.543 1.00 9.08 O ATOM 1574 CB ALA A 609 20.294 -4.988 -3.207 1.00 9.47 C ATOM 0 H ALA A 609 17.625 -5.500 -3.871 1.00 8.74 H new ATOM 0 HA ALA A 609 19.429 -6.061 -1.590 1.00 9.13 H new ATOM 0 HB1 ALA A 609 21.005 -4.463 -2.570 1.00 9.47 H new ATOM 0 HB2 ALA A 609 20.769 -5.876 -3.626 1.00 9.47 H new ATOM 0 HB3 ALA A 609 19.977 -4.330 -4.016 1.00 9.47 H new ATOM 1580 N ALA A 610 17.947 -3.286 -2.632 1.00 8.72 N ATOM 1581 CA ALA A 610 17.219 -2.094 -2.216 1.00 8.65 C ATOM 1582 C ALA A 610 16.642 -1.380 -3.430 1.00 8.14 C ATOM 1583 O ALA A 610 17.364 -1.091 -4.384 1.00 8.01 O ATOM 1584 CB ALA A 610 18.126 -1.149 -1.443 1.00 9.11 C ATOM 0 H ALA A 610 18.060 -3.368 -3.642 1.00 8.72 H new ATOM 0 HA ALA A 610 16.404 -2.404 -1.562 1.00 8.65 H new ATOM 0 HB1 ALA A 610 17.561 -0.267 -1.143 1.00 9.11 H new ATOM 0 HB2 ALA A 610 18.507 -1.655 -0.556 1.00 9.11 H new ATOM 0 HB3 ALA A 610 18.961 -0.847 -2.075 1.00 9.11 H new ATOM 1590 N ILE A 611 15.344 -1.105 -3.404 1.00 8.09 N ATOM 1591 CA ILE A 611 14.698 -0.378 -4.492 1.00 7.87 C ATOM 1592 C ILE A 611 14.957 1.120 -4.337 1.00 7.97 C ATOM 1593 O ILE A 611 14.099 1.874 -3.858 1.00 8.31 O ATOM 1594 CB ILE A 611 13.172 -0.643 -4.536 1.00 8.11 C ATOM 1595 CG1 ILE A 611 12.885 -2.146 -4.638 1.00 8.06 C ATOM 1596 CG2 ILE A 611 12.532 0.089 -5.714 1.00 8.19 C ATOM 1597 CD1 ILE A 611 13.360 -2.774 -5.931 1.00 8.24 C ATOM 0 H ILE A 611 14.718 -1.373 -2.644 1.00 8.09 H new ATOM 0 HA ILE A 611 15.125 -0.734 -5.430 1.00 7.87 H new ATOM 0 HB ILE A 611 12.739 -0.266 -3.610 1.00 8.11 H new ATOM 0 HG12 ILE A 611 13.363 -2.655 -3.801 1.00 8.06 H new ATOM 0 HG13 ILE A 611 11.812 -2.309 -4.539 1.00 8.06 H new ATOM 0 HG21 ILE A 611 11.460 -0.110 -5.727 1.00 8.19 H new ATOM 0 HG22 ILE A 611 12.701 1.161 -5.611 1.00 8.19 H new ATOM 0 HG23 ILE A 611 12.977 -0.261 -6.645 1.00 8.19 H new ATOM 0 HD11 ILE A 611 13.121 -3.838 -5.928 1.00 8.24 H new ATOM 0 HD12 ILE A 611 12.863 -2.293 -6.773 1.00 8.24 H new ATOM 0 HD13 ILE A 611 14.438 -2.644 -6.024 1.00 8.24 H new ATOM 1609 N ILE A 612 16.159 1.538 -4.706 1.00 7.84 N ATOM 1610 CA ILE A 612 16.558 2.927 -4.591 1.00 7.95 C ATOM 1611 C ILE A 612 16.980 3.481 -5.948 1.00 7.93 C ATOM 1612 O ILE A 612 18.117 3.291 -6.387 1.00 8.01 O ATOM 1613 CB ILE A 612 17.725 3.073 -3.597 1.00 8.10 C ATOM 1614 CG1 ILE A 612 17.318 2.547 -2.221 1.00 8.41 C ATOM 1615 CG2 ILE A 612 18.168 4.528 -3.500 1.00 8.29 C ATOM 1616 CD1 ILE A 612 18.464 2.466 -1.239 1.00 8.86 C ATOM 0 H ILE A 612 16.879 0.926 -5.091 1.00 7.84 H new ATOM 0 HA ILE A 612 15.700 3.492 -4.226 1.00 7.95 H new ATOM 0 HB ILE A 612 18.565 2.482 -3.962 1.00 8.10 H new ATOM 0 HG12 ILE A 612 16.543 3.194 -1.809 1.00 8.41 H new ATOM 0 HG13 ILE A 612 16.879 1.556 -2.336 1.00 8.41 H new ATOM 0 HG21 ILE A 612 18.993 4.611 -2.793 1.00 8.29 H new ATOM 0 HG22 ILE A 612 18.494 4.875 -4.480 1.00 8.29 H new ATOM 0 HG23 ILE A 612 17.334 5.140 -3.157 1.00 8.29 H new ATOM 0 HD11 ILE A 612 18.100 2.085 -0.285 1.00 8.86 H new ATOM 0 HD12 ILE A 612 19.230 1.796 -1.629 1.00 8.86 H new ATOM 0 HD13 ILE A 612 18.890 3.459 -1.094 1.00 8.86 H new ATOM 1628 N GLN A 613 16.058 4.151 -6.615 1.00 8.11 N ATOM 1629 CA GLN A 613 16.341 4.763 -7.905 1.00 8.38 C ATOM 1630 C GLN A 613 16.381 6.278 -7.764 1.00 8.43 C ATOM 1631 O GLN A 613 16.775 6.991 -8.685 1.00 8.70 O ATOM 1632 CB GLN A 613 15.282 4.356 -8.931 1.00 9.00 C ATOM 1633 CG GLN A 613 15.204 2.854 -9.165 1.00 9.06 C ATOM 1634 CD GLN A 613 16.492 2.282 -9.720 1.00 9.81 C ATOM 1635 OE1 GLN A 613 17.378 1.871 -8.973 1.00 10.28 O ATOM 1636 NE2 GLN A 613 16.604 2.246 -11.037 1.00 10.14 N ATOM 0 H GLN A 613 15.102 4.287 -6.285 1.00 8.11 H new ATOM 0 HA GLN A 613 17.313 4.414 -8.253 1.00 8.38 H new ATOM 0 HB2 GLN A 613 14.308 4.714 -8.597 1.00 9.00 H new ATOM 0 HB3 GLN A 613 15.496 4.852 -9.878 1.00 9.00 H new ATOM 0 HG2 GLN A 613 14.965 2.356 -8.225 1.00 9.06 H new ATOM 0 HG3 GLN A 613 14.389 2.640 -9.856 1.00 9.06 H new ATOM 0 HE21 GLN A 613 15.846 2.597 -11.623 1.00 10.14 H new ATOM 0 HE22 GLN A 613 17.448 1.867 -11.467 1.00 10.14 H new ATOM 1645 N ASP A 614 15.985 6.751 -6.588 1.00 8.35 N ATOM 1646 CA ASP A 614 15.943 8.165 -6.277 1.00 8.47 C ATOM 1647 C ASP A 614 16.168 8.330 -4.790 1.00 7.69 C ATOM 1648 O ASP A 614 15.325 7.958 -3.972 1.00 7.55 O ATOM 1649 CB ASP A 614 14.604 8.805 -6.651 1.00 9.06 C ATOM 1650 CG ASP A 614 14.311 8.800 -8.140 1.00 9.90 C ATOM 1651 OD1 ASP A 614 13.414 8.045 -8.573 1.00 10.41 O ATOM 1652 OD2 ASP A 614 15.001 9.523 -8.892 1.00 10.22 O ATOM 0 H ASP A 614 15.682 6.153 -5.819 1.00 8.35 H new ATOM 0 HA ASP A 614 16.718 8.664 -6.859 1.00 8.47 H new ATOM 0 HB2 ASP A 614 13.804 8.278 -6.132 1.00 9.06 H new ATOM 0 HB3 ASP A 614 14.592 9.834 -6.292 1.00 9.06 H new ATOM 1657 N ILE A 615 17.322 8.845 -4.459 1.00 7.42 N ATOM 1658 CA ILE A 615 17.729 9.053 -3.072 1.00 6.90 C ATOM 1659 C ILE A 615 16.768 9.989 -2.342 1.00 6.25 C ATOM 1660 O ILE A 615 16.819 11.206 -2.511 1.00 6.55 O ATOM 1661 CB ILE A 615 19.155 9.645 -2.982 1.00 7.38 C ATOM 1662 CG1 ILE A 615 20.146 8.793 -3.779 1.00 7.97 C ATOM 1663 CG2 ILE A 615 19.602 9.756 -1.528 1.00 7.43 C ATOM 1664 CD1 ILE A 615 20.233 7.361 -3.308 1.00 8.61 C ATOM 0 H ILE A 615 18.021 9.139 -5.142 1.00 7.42 H new ATOM 0 HA ILE A 615 17.713 8.072 -2.597 1.00 6.90 H new ATOM 0 HB ILE A 615 19.134 10.645 -3.414 1.00 7.38 H new ATOM 0 HG12 ILE A 615 19.857 8.803 -4.830 1.00 7.97 H new ATOM 0 HG13 ILE A 615 21.135 9.247 -3.716 1.00 7.97 H new ATOM 0 HG21 ILE A 615 20.608 10.175 -1.487 1.00 7.43 H new ATOM 0 HG22 ILE A 615 18.916 10.406 -0.985 1.00 7.43 H new ATOM 0 HG23 ILE A 615 19.602 8.766 -1.071 1.00 7.43 H new ATOM 0 HD11 ILE A 615 20.955 6.820 -3.920 1.00 8.61 H new ATOM 0 HD12 ILE A 615 20.552 7.339 -2.266 1.00 8.61 H new ATOM 0 HD13 ILE A 615 19.255 6.888 -3.397 1.00 8.61 H new ATOM 1676 N HIS A 616 15.878 9.416 -1.547 1.00 5.59 N ATOM 1677 CA HIS A 616 14.979 10.209 -0.718 1.00 5.04 C ATOM 1678 C HIS A 616 15.192 9.903 0.759 1.00 4.93 C ATOM 1679 O HIS A 616 14.553 10.505 1.621 1.00 4.86 O ATOM 1680 CB HIS A 616 13.515 9.959 -1.094 1.00 4.66 C ATOM 1681 CG HIS A 616 13.078 10.633 -2.360 1.00 5.34 C ATOM 1682 ND1 HIS A 616 12.416 11.840 -2.375 1.00 5.93 N ATOM 1683 CD2 HIS A 616 13.186 10.253 -3.655 1.00 5.92 C ATOM 1684 CE1 HIS A 616 12.134 12.170 -3.621 1.00 6.73 C ATOM 1685 NE2 HIS A 616 12.590 11.225 -4.421 1.00 6.75 N ATOM 0 H HIS A 616 15.758 8.407 -1.457 1.00 5.59 H new ATOM 0 HA HIS A 616 15.209 11.259 -0.898 1.00 5.04 H new ATOM 0 HB2 HIS A 616 13.356 8.885 -1.195 1.00 4.66 H new ATOM 0 HB3 HIS A 616 12.879 10.300 -0.277 1.00 4.66 H new ATOM 0 HD2 HIS A 616 13.655 9.351 -4.019 1.00 5.92 H new ATOM 0 HE1 HIS A 616 11.616 13.065 -3.934 1.00 6.73 H new ATOM 0 HE2 HIS A 616 12.513 11.218 -5.438 1.00 6.75 H new ATOM 1694 N SER A 617 16.097 8.972 1.045 1.00 5.36 N ATOM 1695 CA SER A 617 16.384 8.579 2.419 1.00 5.85 C ATOM 1696 C SER A 617 17.592 7.652 2.473 1.00 6.49 C ATOM 1697 O SER A 617 18.641 8.010 3.010 1.00 6.99 O ATOM 1698 CB SER A 617 15.166 7.886 3.037 1.00 6.12 C ATOM 1699 OG SER A 617 15.384 7.565 4.401 1.00 6.56 O ATOM 0 H SER A 617 16.644 8.476 0.342 1.00 5.36 H new ATOM 0 HA SER A 617 16.611 9.478 2.992 1.00 5.85 H new ATOM 0 HB2 SER A 617 14.295 8.535 2.950 1.00 6.12 H new ATOM 0 HB3 SER A 617 14.943 6.976 2.480 1.00 6.12 H new ATOM 0 HG SER A 617 14.871 6.763 4.635 1.00 6.56 H new ATOM 1705 N GLN A 618 17.439 6.461 1.913 1.00 6.78 N ATOM 1706 CA GLN A 618 18.511 5.478 1.904 1.00 7.62 C ATOM 1707 C GLN A 618 19.441 5.713 0.724 1.00 7.99 C ATOM 1708 O GLN A 618 19.011 6.161 -0.339 1.00 7.83 O ATOM 1709 CB GLN A 618 17.931 4.064 1.840 1.00 7.82 C ATOM 1710 CG GLN A 618 17.189 3.654 3.100 1.00 7.94 C ATOM 1711 CD GLN A 618 18.105 3.559 4.305 1.00 8.77 C ATOM 1712 OE1 GLN A 618 18.310 4.536 5.023 1.00 9.18 O ATOM 1713 NE2 GLN A 618 18.665 2.382 4.532 1.00 9.26 N ATOM 0 H GLN A 618 16.580 6.152 1.458 1.00 6.78 H new ATOM 0 HA GLN A 618 19.084 5.585 2.825 1.00 7.62 H new ATOM 0 HB2 GLN A 618 17.252 3.997 0.990 1.00 7.82 H new ATOM 0 HB3 GLN A 618 18.740 3.356 1.658 1.00 7.82 H new ATOM 0 HG2 GLN A 618 16.398 4.376 3.304 1.00 7.94 H new ATOM 0 HG3 GLN A 618 16.706 2.690 2.937 1.00 7.94 H new ATOM 0 HE21 GLN A 618 18.469 1.596 3.912 1.00 9.26 H new ATOM 0 HE22 GLN A 618 19.293 2.261 5.327 1.00 9.26 H new ATOM 1722 N ARG A 619 20.720 5.425 0.927 1.00 8.71 N ATOM 1723 CA ARG A 619 21.709 5.541 -0.134 1.00 9.30 C ATOM 1724 C ARG A 619 21.703 4.288 -0.993 1.00 9.21 C ATOM 1725 O ARG A 619 21.501 3.181 -0.491 1.00 9.40 O ATOM 1726 CB ARG A 619 23.112 5.795 0.433 1.00 10.11 C ATOM 1727 CG ARG A 619 23.313 7.203 0.978 1.00 10.44 C ATOM 1728 CD ARG A 619 22.500 7.461 2.235 1.00 11.20 C ATOM 1729 NE ARG A 619 22.352 8.886 2.505 1.00 11.57 N ATOM 1730 CZ ARG A 619 21.776 9.381 3.600 1.00 12.39 C ATOM 1731 NH1 ARG A 619 21.351 8.566 4.561 1.00 12.90 N ATOM 1732 NH2 ARG A 619 21.626 10.692 3.731 1.00 12.84 N ATOM 0 H ARG A 619 21.097 5.108 1.820 1.00 8.71 H new ATOM 0 HA ARG A 619 21.441 6.398 -0.752 1.00 9.30 H new ATOM 0 HB2 ARG A 619 23.307 5.077 1.229 1.00 10.11 H new ATOM 0 HB3 ARG A 619 23.848 5.611 -0.349 1.00 10.11 H new ATOM 0 HG2 ARG A 619 24.370 7.358 1.194 1.00 10.44 H new ATOM 0 HG3 ARG A 619 23.034 7.928 0.214 1.00 10.44 H new ATOM 0 HD2 ARG A 619 21.514 7.008 2.129 1.00 11.20 H new ATOM 0 HD3 ARG A 619 22.983 6.979 3.085 1.00 11.20 H new ATOM 0 HE ARG A 619 22.711 9.544 1.814 1.00 11.57 H new ATOM 0 HH11 ARG A 619 21.465 7.557 4.462 1.00 12.90 H new ATOM 0 HH12 ARG A 619 20.911 8.950 5.397 1.00 12.90 H new ATOM 0 HH21 ARG A 619 21.951 11.319 2.995 1.00 12.84 H new ATOM 0 HH22 ARG A 619 21.185 11.074 4.568 1.00 12.84 H new ATOM 1746 N GLU A 620 21.943 4.477 -2.281 1.00 9.10 N ATOM 1747 CA GLU A 620 21.822 3.409 -3.260 1.00 9.13 C ATOM 1748 C GLU A 620 22.899 2.351 -3.064 1.00 9.48 C ATOM 1749 O GLU A 620 23.961 2.622 -2.500 1.00 10.00 O ATOM 1750 CB GLU A 620 21.893 3.973 -4.684 1.00 9.63 C ATOM 1751 CG GLU A 620 23.199 4.693 -5.016 1.00 10.10 C ATOM 1752 CD GLU A 620 23.231 6.139 -4.550 1.00 10.76 C ATOM 1753 OE1 GLU A 620 23.475 6.388 -3.351 1.00 11.34 O ATOM 1754 OE2 GLU A 620 23.027 7.040 -5.391 1.00 10.85 O ATOM 0 H GLU A 620 22.227 5.373 -2.676 1.00 9.10 H new ATOM 0 HA GLU A 620 20.851 2.936 -3.113 1.00 9.13 H new ATOM 0 HB2 GLU A 620 21.753 3.156 -5.392 1.00 9.63 H new ATOM 0 HB3 GLU A 620 21.064 4.666 -4.829 1.00 9.63 H new ATOM 0 HG2 GLU A 620 24.028 4.154 -4.558 1.00 10.10 H new ATOM 0 HG3 GLU A 620 23.357 4.664 -6.094 1.00 10.10 H new ATOM 1761 N ARG A 621 22.617 1.148 -3.536 1.00 9.37 N ATOM 1762 CA ARG A 621 23.543 0.037 -3.407 1.00 9.82 C ATOM 1763 C ARG A 621 24.364 -0.096 -4.679 1.00 10.09 C ATOM 1764 O ARG A 621 25.540 0.323 -4.680 1.00 10.32 O ATOM 1765 CB ARG A 621 22.788 -1.267 -3.137 1.00 10.01 C ATOM 1766 CG ARG A 621 21.809 -1.188 -1.975 1.00 9.92 C ATOM 1767 CD ARG A 621 22.493 -0.772 -0.682 1.00 10.33 C ATOM 1768 NE ARG A 621 23.573 -1.685 -0.311 1.00 10.59 N ATOM 1769 CZ ARG A 621 23.985 -1.884 0.939 1.00 11.07 C ATOM 1770 NH1 ARG A 621 23.404 -1.243 1.949 1.00 11.34 N ATOM 1771 NH2 ARG A 621 24.982 -2.723 1.176 1.00 11.46 N ATOM 1772 OXT ARG A 621 23.815 -0.588 -5.686 1.00 10.26 O ATOM 0 H ARG A 621 21.747 0.916 -4.015 1.00 9.37 H new ATOM 0 HA ARG A 621 24.207 0.233 -2.565 1.00 9.82 H new ATOM 0 HB2 ARG A 621 22.244 -1.553 -4.037 1.00 10.01 H new ATOM 0 HB3 ARG A 621 23.511 -2.058 -2.936 1.00 10.01 H new ATOM 0 HG2 ARG A 621 21.020 -0.475 -2.213 1.00 9.92 H new ATOM 0 HG3 ARG A 621 21.331 -2.158 -1.837 1.00 9.92 H new ATOM 0 HD2 ARG A 621 22.893 0.236 -0.792 1.00 10.33 H new ATOM 0 HD3 ARG A 621 21.757 -0.737 0.121 1.00 10.33 H new ATOM 0 HE ARG A 621 24.040 -2.202 -1.056 1.00 10.59 H new ATOM 0 HH11 ARG A 621 22.638 -0.594 1.768 1.00 11.34 H new ATOM 0 HH12 ARG A 621 23.724 -1.400 2.905 1.00 11.34 H new ATOM 0 HH21 ARG A 621 25.431 -3.213 0.402 1.00 11.46 H new ATOM 0 HH22 ARG A 621 25.301 -2.879 2.132 1.00 11.46 H new TER 1786 ARG A 621