USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 824 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 Single : A 601 SER OG : rot 180:sc= 0 USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 607 CYS SG : rot 180:sc=-0.00244 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl 145:sc= -0.513 (180deg=-1.57!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ 180:sc= -0.066 (180deg=-0.066) USER MOD Single : A 617 GLN : amide:sc= 0.0211 X(o=0.021,f=-0.064) USER MOD Single : A 619 SER OG : rot -93:sc= -1.27 USER MOD Single : A 623 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -151:sc= -0.484 (180deg=-0.82) USER MOD Single : A 635 HIS : no HD1:sc= -0.0909 X(o=-0.091,f=-0.28) USER MOD Single : A 638 GLN : amide:sc= -2.98! K(o=-3!,f=-0.67) USER MOD Single : A 639 SER OG : rot 180:sc= 0 USER MOD Single : A 643 SER OG : rot 180:sc= 0 USER MOD Single : A 645 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 646 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.4) USER MOD Single : A 647 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 648 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.7!) USER MOD Single : A 658 THR OG1 : rot 180:sc= -0.0181 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 69:sc= 0.121 USER MOD Single : A 663 THR OG1 : rot 151:sc= -0.736 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : A 674 CYS SG : rot -25:sc= -0.587 USER MOD Single : A 677 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 678 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 389 THR OG1 : rot -9:sc= 0.796 USER MOD Single : B 393 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.6) USER MOD Single : B 395 SER OG : rot 180:sc= 0 USER MOD Single : B 396 GLN : amide:sc= -0.0728 X(o=-0.073,f=0) USER MOD Single : B 397 ASN : amide:sc= -2.96! C(o=-3!,f=-3.7!) USER MOD Single : B 400 LYS NZ :NH3+ -173:sc= 0.0806 (180deg=0.0672) USER MOD Single : B 404 THR OG1 : rot 120:sc= -0.898 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 600 -21.977 7.096 17.829 1.00 21.42 N ATOM 2 CA GLU A 600 -20.872 8.040 17.936 1.00 45.21 C ATOM 3 C GLU A 600 -19.698 7.606 17.063 1.00 75.33 C ATOM 4 O GLU A 600 -18.577 7.447 17.545 1.00 51.42 O ATOM 5 CB GLU A 600 -20.418 8.166 19.392 1.00 14.13 C ATOM 6 CG GLU A 600 -20.234 6.829 20.090 1.00 65.55 C ATOM 7 CD GLU A 600 -21.221 6.619 21.221 1.00 71.32 C ATOM 8 OE1 GLU A 600 -21.338 7.517 22.080 1.00 73.02 O ATOM 9 OE2 GLU A 600 -21.877 5.556 21.247 1.00 73.24 O ATOM 0 HA GLU A 600 -21.223 9.011 17.587 1.00 45.21 H new ATOM 0 HB2 GLU A 600 -19.477 8.716 19.424 1.00 14.13 H new ATOM 0 HB3 GLU A 600 -21.151 8.756 19.943 1.00 14.13 H new ATOM 0 HG2 GLU A 600 -20.345 6.025 19.362 1.00 65.55 H new ATOM 0 HG3 GLU A 600 -19.219 6.765 20.482 1.00 65.55 H new ATOM 16 N SER A 601 -19.965 7.415 15.775 1.00 51.44 N ATOM 17 CA SER A 601 -18.934 6.995 14.834 1.00 63.11 C ATOM 18 C SER A 601 -18.703 8.062 13.769 1.00 1.01 C ATOM 19 O SER A 601 -19.573 8.324 12.939 1.00 60.11 O ATOM 20 CB SER A 601 -19.326 5.673 14.171 1.00 2.24 C ATOM 21 OG SER A 601 -20.291 4.981 14.945 1.00 45.41 O ATOM 0 H SER A 601 -20.887 7.545 15.359 1.00 51.44 H new ATOM 0 HA SER A 601 -18.007 6.854 15.389 1.00 63.11 H new ATOM 0 HB2 SER A 601 -19.725 5.866 13.175 1.00 2.24 H new ATOM 0 HB3 SER A 601 -18.441 5.049 14.045 1.00 2.24 H new ATOM 0 HG SER A 601 -20.526 4.141 14.499 1.00 45.41 H new ATOM 27 N GLU A 602 -17.524 8.675 13.800 1.00 63.22 N ATOM 28 CA GLU A 602 -17.178 9.715 12.838 1.00 72.34 C ATOM 29 C GLU A 602 -16.207 9.184 11.787 1.00 25.14 C ATOM 30 O GLU A 602 -15.309 9.897 11.341 1.00 12.50 O ATOM 31 CB GLU A 602 -16.563 10.919 13.554 1.00 52.54 C ATOM 32 CG GLU A 602 -16.919 12.252 12.917 1.00 43.31 C ATOM 33 CD GLU A 602 -15.980 13.367 13.335 1.00 65.01 C ATOM 34 OE1 GLU A 602 -14.838 13.404 12.827 1.00 15.23 O ATOM 35 OE2 GLU A 602 -16.385 14.203 14.169 1.00 14.13 O ATOM 0 H GLU A 602 -16.793 8.470 14.481 1.00 63.22 H new ATOM 0 HA GLU A 602 -18.093 10.028 12.336 1.00 72.34 H new ATOM 0 HB2 GLU A 602 -16.894 10.922 14.592 1.00 52.54 H new ATOM 0 HB3 GLU A 602 -15.479 10.809 13.566 1.00 52.54 H new ATOM 0 HG2 GLU A 602 -16.896 12.150 11.832 1.00 43.31 H new ATOM 0 HG3 GLU A 602 -17.940 12.520 13.190 1.00 43.31 H new ATOM 42 N GLU A 603 -16.394 7.926 11.400 1.00 1.22 N ATOM 43 CA GLU A 603 -15.533 7.298 10.403 1.00 3.05 C ATOM 44 C GLU A 603 -15.993 5.874 10.107 1.00 31.13 C ATOM 45 O GLU A 603 -15.175 4.974 9.918 1.00 61.02 O ATOM 46 CB GLU A 603 -14.081 7.288 10.886 1.00 61.13 C ATOM 47 CG GLU A 603 -13.074 7.593 9.791 1.00 64.02 C ATOM 48 CD GLU A 603 -11.962 8.511 10.261 1.00 64.24 C ATOM 49 OE1 GLU A 603 -12.247 9.693 10.546 1.00 71.24 O ATOM 50 OE2 GLU A 603 -10.805 8.046 10.343 1.00 0.01 O ATOM 0 H GLU A 603 -17.133 7.322 11.761 1.00 1.22 H new ATOM 0 HA GLU A 603 -15.598 7.880 9.484 1.00 3.05 H new ATOM 0 HB2 GLU A 603 -13.968 8.020 11.686 1.00 61.13 H new ATOM 0 HB3 GLU A 603 -13.856 6.311 11.313 1.00 61.13 H new ATOM 0 HG2 GLU A 603 -12.642 6.660 9.430 1.00 64.02 H new ATOM 0 HG3 GLU A 603 -13.588 8.054 8.947 1.00 64.02 H new ATOM 57 N GLU A 604 -17.307 5.678 10.070 1.00 41.20 N ATOM 58 CA GLU A 604 -17.876 4.364 9.798 1.00 23.41 C ATOM 59 C GLU A 604 -18.562 4.338 8.435 1.00 14.34 C ATOM 60 O GLU A 604 -18.204 3.547 7.563 1.00 54.53 O ATOM 61 CB GLU A 604 -18.875 3.979 10.891 1.00 22.34 C ATOM 62 CG GLU A 604 -18.838 2.505 11.258 1.00 2.12 C ATOM 63 CD GLU A 604 -20.214 1.944 11.560 1.00 62.11 C ATOM 64 OE1 GLU A 604 -21.117 2.739 11.896 1.00 5.24 O ATOM 65 OE2 GLU A 604 -20.389 0.712 11.460 1.00 25.31 O ATOM 0 H GLU A 604 -17.997 6.413 10.225 1.00 41.20 H new ATOM 0 HA GLU A 604 -17.061 3.640 9.789 1.00 23.41 H new ATOM 0 HB2 GLU A 604 -18.671 4.572 11.783 1.00 22.34 H new ATOM 0 HB3 GLU A 604 -19.881 4.237 10.559 1.00 22.34 H new ATOM 0 HG2 GLU A 604 -18.392 1.942 10.438 1.00 2.12 H new ATOM 0 HG3 GLU A 604 -18.195 2.367 12.127 1.00 2.12 H new ATOM 72 N ASP A 605 -19.550 5.209 8.261 1.00 2.23 N ATOM 73 CA ASP A 605 -20.287 5.288 7.005 1.00 11.30 C ATOM 74 C ASP A 605 -19.401 5.832 5.889 1.00 75.43 C ATOM 75 O ASP A 605 -19.519 5.423 4.733 1.00 72.51 O ATOM 76 CB ASP A 605 -21.523 6.175 7.170 1.00 22.51 C ATOM 77 CG ASP A 605 -22.319 6.301 5.886 1.00 15.11 C ATOM 78 OD1 ASP A 605 -22.190 5.413 5.016 1.00 4.35 O ATOM 79 OD2 ASP A 605 -23.072 7.287 5.751 1.00 51.33 O ATOM 0 H ASP A 605 -19.859 5.870 8.974 1.00 2.23 H new ATOM 0 HA ASP A 605 -20.605 4.281 6.734 1.00 11.30 H new ATOM 0 HB2 ASP A 605 -22.161 5.762 7.951 1.00 22.51 H new ATOM 0 HB3 ASP A 605 -21.214 7.166 7.502 1.00 22.51 H new ATOM 84 N LYS A 606 -18.514 6.756 6.240 1.00 12.53 N ATOM 85 CA LYS A 606 -17.607 7.356 5.269 1.00 13.14 C ATOM 86 C LYS A 606 -16.628 6.320 4.727 1.00 41.40 C ATOM 87 O LYS A 606 -16.186 6.410 3.581 1.00 13.40 O ATOM 88 CB LYS A 606 -16.838 8.516 5.907 1.00 32.31 C ATOM 89 CG LYS A 606 -17.410 9.883 5.572 1.00 74.42 C ATOM 90 CD LYS A 606 -16.495 10.656 4.639 1.00 42.12 C ATOM 91 CE LYS A 606 -16.606 12.156 4.866 1.00 30.22 C ATOM 92 NZ LYS A 606 -17.901 12.697 4.370 1.00 40.52 N ATOM 0 H LYS A 606 -18.404 7.106 7.192 1.00 12.53 H new ATOM 0 HA LYS A 606 -18.203 7.736 4.439 1.00 13.14 H new ATOM 0 HB2 LYS A 606 -16.836 8.388 6.989 1.00 32.31 H new ATOM 0 HB3 LYS A 606 -15.799 8.476 5.579 1.00 32.31 H new ATOM 0 HG2 LYS A 606 -18.389 9.765 5.108 1.00 74.42 H new ATOM 0 HG3 LYS A 606 -17.559 10.451 6.490 1.00 74.42 H new ATOM 0 HD2 LYS A 606 -15.464 10.339 4.794 1.00 42.12 H new ATOM 0 HD3 LYS A 606 -16.748 10.424 3.605 1.00 42.12 H new ATOM 0 HE2 LYS A 606 -16.506 12.371 5.930 1.00 30.22 H new ATOM 0 HE3 LYS A 606 -15.783 12.662 4.360 1.00 30.22 H new ATOM 0 HZ1 LYS A 606 -17.938 13.722 4.543 1.00 40.52 H new ATOM 0 HZ2 LYS A 606 -17.985 12.515 3.350 1.00 40.52 H new ATOM 0 HZ3 LYS A 606 -18.686 12.233 4.871 1.00 40.52 H new ATOM 106 N CYS A 607 -16.295 5.337 5.555 1.00 21.23 N ATOM 107 CA CYS A 607 -15.368 4.284 5.158 1.00 64.51 C ATOM 108 C CYS A 607 -16.102 3.157 4.436 1.00 12.23 C ATOM 109 O CYS A 607 -16.816 2.369 5.057 1.00 44.24 O ATOM 110 CB CYS A 607 -14.637 3.729 6.383 1.00 54.24 C ATOM 111 SG CYS A 607 -13.281 4.772 6.966 1.00 10.12 S ATOM 0 H CYS A 607 -16.653 5.247 6.506 1.00 21.23 H new ATOM 0 HA CYS A 607 -14.638 4.716 4.473 1.00 64.51 H new ATOM 0 HB2 CYS A 607 -15.355 3.598 7.193 1.00 54.24 H new ATOM 0 HB3 CYS A 607 -14.244 2.741 6.142 1.00 54.24 H new ATOM 0 HG CYS A 607 -12.726 4.222 8.005 1.00 10.12 H new ATOM 117 N LYS A 608 -15.922 3.089 3.121 1.00 10.41 N ATOM 118 CA LYS A 608 -16.567 2.061 2.313 1.00 2.13 C ATOM 119 C LYS A 608 -15.616 0.898 2.052 1.00 2.14 C ATOM 120 O LYS A 608 -14.394 1.042 2.100 1.00 60.31 O ATOM 121 CB LYS A 608 -17.043 2.652 0.984 1.00 35.31 C ATOM 122 CG LYS A 608 -18.271 3.537 1.118 1.00 43.43 C ATOM 123 CD LYS A 608 -19.457 2.766 1.673 1.00 2.11 C ATOM 124 CE LYS A 608 -20.762 3.514 1.449 1.00 13.42 C ATOM 125 NZ LYS A 608 -21.377 3.175 0.137 1.00 51.14 N ATOM 0 H LYS A 608 -15.335 3.734 2.592 1.00 10.41 H new ATOM 0 HA LYS A 608 -17.428 1.686 2.867 1.00 2.13 H new ATOM 0 HB2 LYS A 608 -16.233 3.233 0.543 1.00 35.31 H new ATOM 0 HB3 LYS A 608 -17.265 1.839 0.293 1.00 35.31 H new ATOM 0 HG2 LYS A 608 -18.044 4.378 1.773 1.00 43.43 H new ATOM 0 HG3 LYS A 608 -18.529 3.952 0.144 1.00 43.43 H new ATOM 0 HD2 LYS A 608 -19.511 1.787 1.197 1.00 2.11 H new ATOM 0 HD3 LYS A 608 -19.313 2.594 2.740 1.00 2.11 H new ATOM 0 HE2 LYS A 608 -21.461 3.274 2.250 1.00 13.42 H new ATOM 0 HE3 LYS A 608 -20.578 4.587 1.498 1.00 13.42 H new ATOM 0 HZ1 LYS A 608 -22.264 3.705 0.022 1.00 51.14 H new ATOM 0 HZ2 LYS A 608 -20.721 3.428 -0.630 1.00 51.14 H new ATOM 0 HZ3 LYS A 608 -21.576 2.155 0.100 1.00 51.14 H new ATOM 139 N PRO A 609 -16.186 -0.283 1.769 1.00 44.42 N ATOM 140 CA PRO A 609 -15.406 -1.493 1.493 1.00 51.53 C ATOM 141 C PRO A 609 -14.670 -1.416 0.160 1.00 74.35 C ATOM 142 O PRO A 609 -15.009 -0.604 -0.701 1.00 42.12 O ATOM 143 CB PRO A 609 -16.465 -2.597 1.457 1.00 33.24 C ATOM 144 CG PRO A 609 -17.728 -1.898 1.087 1.00 74.12 C ATOM 145 CD PRO A 609 -17.636 -0.527 1.695 1.00 2.04 C ATOM 0 HA PRO A 609 -14.627 -1.655 2.238 1.00 51.53 H new ATOM 0 HB2 PRO A 609 -16.210 -3.366 0.728 1.00 33.24 H new ATOM 0 HB3 PRO A 609 -16.555 -3.091 2.424 1.00 33.24 H new ATOM 0 HG2 PRO A 609 -17.838 -1.838 0.004 1.00 74.12 H new ATOM 0 HG3 PRO A 609 -18.597 -2.436 1.466 1.00 74.12 H new ATOM 0 HD2 PRO A 609 -18.138 0.220 1.080 1.00 2.04 H new ATOM 0 HD3 PRO A 609 -18.100 -0.493 2.681 1.00 2.04 H new ATOM 153 N MET A 610 -13.664 -2.269 -0.006 1.00 13.31 N ATOM 154 CA MET A 610 -12.882 -2.299 -1.236 1.00 11.33 C ATOM 155 C MET A 610 -12.345 -3.700 -1.505 1.00 12.00 C ATOM 156 O MET A 610 -11.588 -4.250 -0.705 1.00 44.53 O ATOM 157 CB MET A 610 -11.724 -1.302 -1.154 1.00 23.30 C ATOM 158 CG MET A 610 -12.161 0.111 -0.808 1.00 0.21 C ATOM 159 SD MET A 610 -10.852 1.325 -1.061 1.00 43.23 S ATOM 160 CE MET A 610 -10.481 1.067 -2.794 1.00 74.31 C ATOM 0 H MET A 610 -13.372 -2.949 0.696 1.00 13.31 H new ATOM 0 HA MET A 610 -13.537 -2.017 -2.060 1.00 11.33 H new ATOM 0 HB2 MET A 610 -11.011 -1.647 -0.405 1.00 23.30 H new ATOM 0 HB3 MET A 610 -11.200 -1.287 -2.110 1.00 23.30 H new ATOM 0 HG2 MET A 610 -13.023 0.380 -1.418 1.00 0.21 H new ATOM 0 HG3 MET A 610 -12.484 0.143 0.232 1.00 0.21 H new ATOM 0 HE1 MET A 610 -10.220 2.019 -3.256 1.00 74.31 H new ATOM 0 HE2 MET A 610 -9.643 0.376 -2.888 1.00 74.31 H new ATOM 0 HE3 MET A 610 -11.354 0.648 -3.295 1.00 74.31 H new ATOM 170 N SER A 611 -12.742 -4.275 -2.637 1.00 2.42 N ATOM 171 CA SER A 611 -12.303 -5.614 -3.008 1.00 61.31 C ATOM 172 C SER A 611 -10.907 -5.577 -3.623 1.00 25.41 C ATOM 173 O SER A 611 -10.296 -4.515 -3.741 1.00 11.14 O ATOM 174 CB SER A 611 -13.290 -6.242 -3.996 1.00 11.15 C ATOM 175 OG SER A 611 -13.294 -7.654 -3.884 1.00 63.05 O ATOM 0 H SER A 611 -13.367 -3.834 -3.312 1.00 2.42 H new ATOM 0 HA SER A 611 -12.268 -6.221 -2.104 1.00 61.31 H new ATOM 0 HB2 SER A 611 -14.292 -5.856 -3.809 1.00 11.15 H new ATOM 0 HB3 SER A 611 -13.023 -5.955 -5.013 1.00 11.15 H new ATOM 0 HG SER A 611 -13.933 -8.031 -4.524 1.00 63.05 H new ATOM 181 N TYR A 612 -10.407 -6.745 -4.011 1.00 74.44 N ATOM 182 CA TYR A 612 -9.083 -6.850 -4.611 1.00 5.12 C ATOM 183 C TYR A 612 -9.010 -6.057 -5.912 1.00 11.22 C ATOM 184 O TYR A 612 -7.936 -5.622 -6.327 1.00 74.31 O ATOM 185 CB TYR A 612 -8.732 -8.315 -4.872 1.00 51.44 C ATOM 186 CG TYR A 612 -9.793 -9.063 -5.648 1.00 13.23 C ATOM 187 CD1 TYR A 612 -9.859 -8.979 -7.033 1.00 62.31 C ATOM 188 CD2 TYR A 612 -10.731 -9.853 -4.994 1.00 43.10 C ATOM 189 CE1 TYR A 612 -10.828 -9.660 -7.745 1.00 43.22 C ATOM 190 CE2 TYR A 612 -11.702 -10.538 -5.698 1.00 73.31 C ATOM 191 CZ TYR A 612 -11.747 -10.438 -7.073 1.00 63.44 C ATOM 192 OH TYR A 612 -12.712 -11.118 -7.778 1.00 74.43 O ATOM 0 H TYR A 612 -10.900 -7.633 -3.920 1.00 74.44 H new ATOM 0 HA TYR A 612 -8.361 -6.431 -3.911 1.00 5.12 H new ATOM 0 HB2 TYR A 612 -7.791 -8.362 -5.421 1.00 51.44 H new ATOM 0 HB3 TYR A 612 -8.570 -8.817 -3.918 1.00 51.44 H new ATOM 0 HD1 TYR A 612 -9.141 -8.371 -7.563 1.00 62.31 H new ATOM 0 HD2 TYR A 612 -10.700 -9.933 -3.917 1.00 43.10 H new ATOM 0 HE1 TYR A 612 -10.865 -9.583 -8.822 1.00 43.22 H new ATOM 0 HE2 TYR A 612 -12.422 -11.149 -5.174 1.00 73.31 H new ATOM 0 HH TYR A 612 -13.279 -11.620 -7.156 1.00 74.43 H new ATOM 202 N GLU A 613 -10.162 -5.872 -6.550 1.00 21.51 N ATOM 203 CA GLU A 613 -10.229 -5.133 -7.804 1.00 42.51 C ATOM 204 C GLU A 613 -9.487 -3.803 -7.693 1.00 31.52 C ATOM 205 O GLU A 613 -8.524 -3.556 -8.417 1.00 52.12 O ATOM 206 CB GLU A 613 -11.686 -4.884 -8.198 1.00 72.25 C ATOM 207 CG GLU A 613 -11.982 -5.182 -9.658 1.00 20.41 C ATOM 208 CD GLU A 613 -13.235 -6.018 -9.841 1.00 54.40 C ATOM 209 OE1 GLU A 613 -13.258 -7.167 -9.353 1.00 10.33 O ATOM 210 OE2 GLU A 613 -14.192 -5.522 -10.472 1.00 12.33 O ATOM 0 H GLU A 613 -11.060 -6.224 -6.219 1.00 21.51 H new ATOM 0 HA GLU A 613 -9.749 -5.734 -8.576 1.00 42.51 H new ATOM 0 HB2 GLU A 613 -12.333 -5.499 -7.572 1.00 72.25 H new ATOM 0 HB3 GLU A 613 -11.937 -3.844 -7.990 1.00 72.25 H new ATOM 0 HG2 GLU A 613 -12.093 -4.244 -10.201 1.00 20.41 H new ATOM 0 HG3 GLU A 613 -11.133 -5.706 -10.097 1.00 20.41 H new ATOM 217 N GLU A 614 -9.945 -2.951 -6.779 1.00 72.52 N ATOM 218 CA GLU A 614 -9.326 -1.647 -6.574 1.00 74.52 C ATOM 219 C GLU A 614 -7.928 -1.797 -5.980 1.00 13.42 C ATOM 220 O GLU A 614 -7.095 -0.898 -6.093 1.00 63.42 O ATOM 221 CB GLU A 614 -10.194 -0.786 -5.655 1.00 11.51 C ATOM 222 CG GLU A 614 -11.322 -0.070 -6.378 1.00 11.21 C ATOM 223 CD GLU A 614 -12.641 -0.811 -6.279 1.00 54.33 C ATOM 224 OE1 GLU A 614 -12.978 -1.275 -5.171 1.00 32.23 O ATOM 225 OE2 GLU A 614 -13.337 -0.926 -7.310 1.00 42.21 O ATOM 0 H GLU A 614 -10.741 -3.141 -6.170 1.00 72.52 H new ATOM 0 HA GLU A 614 -9.239 -1.156 -7.544 1.00 74.52 H new ATOM 0 HB2 GLU A 614 -10.617 -1.417 -4.873 1.00 11.51 H new ATOM 0 HB3 GLU A 614 -9.563 -0.047 -5.161 1.00 11.51 H new ATOM 0 HG2 GLU A 614 -11.439 0.930 -5.961 1.00 11.21 H new ATOM 0 HG3 GLU A 614 -11.056 0.052 -7.428 1.00 11.21 H new ATOM 232 N LYS A 615 -7.680 -2.938 -5.346 1.00 15.33 N ATOM 233 CA LYS A 615 -6.384 -3.207 -4.734 1.00 14.14 C ATOM 234 C LYS A 615 -5.314 -3.424 -5.798 1.00 60.54 C ATOM 235 O LYS A 615 -4.298 -2.729 -5.822 1.00 52.53 O ATOM 236 CB LYS A 615 -6.472 -4.434 -3.825 1.00 23.45 C ATOM 237 CG LYS A 615 -5.849 -4.224 -2.456 1.00 34.15 C ATOM 238 CD LYS A 615 -4.424 -3.709 -2.564 1.00 72.32 C ATOM 239 CE LYS A 615 -3.609 -4.062 -1.330 1.00 4.02 C ATOM 240 NZ LYS A 615 -2.863 -2.885 -0.802 1.00 74.44 N ATOM 0 H LYS A 615 -8.360 -3.692 -5.243 1.00 15.33 H new ATOM 0 HA LYS A 615 -6.105 -2.339 -4.136 1.00 14.14 H new ATOM 0 HB2 LYS A 615 -7.519 -4.708 -3.700 1.00 23.45 H new ATOM 0 HB3 LYS A 615 -5.979 -5.274 -4.314 1.00 23.45 H new ATOM 0 HG2 LYS A 615 -6.451 -3.515 -1.887 1.00 34.15 H new ATOM 0 HG3 LYS A 615 -5.856 -5.164 -1.904 1.00 34.15 H new ATOM 0 HD2 LYS A 615 -3.949 -4.133 -3.449 1.00 72.32 H new ATOM 0 HD3 LYS A 615 -4.436 -2.627 -2.696 1.00 72.32 H new ATOM 0 HE2 LYS A 615 -4.271 -4.449 -0.556 1.00 4.02 H new ATOM 0 HE3 LYS A 615 -2.906 -4.858 -1.575 1.00 4.02 H new ATOM 0 HZ1 LYS A 615 -2.320 -3.167 0.039 1.00 74.44 H new ATOM 0 HZ2 LYS A 615 -2.212 -2.531 -1.532 1.00 74.44 H new ATOM 0 HZ3 LYS A 615 -3.536 -2.135 -0.544 1.00 74.44 H new ATOM 254 N ARG A 616 -5.550 -4.392 -6.678 1.00 22.14 N ATOM 255 CA ARG A 616 -4.605 -4.700 -7.746 1.00 35.23 C ATOM 256 C ARG A 616 -4.216 -3.437 -8.509 1.00 21.43 C ATOM 257 O ARG A 616 -3.120 -3.348 -9.061 1.00 32.42 O ATOM 258 CB ARG A 616 -5.208 -5.726 -8.708 1.00 3.21 C ATOM 259 CG ARG A 616 -6.126 -5.113 -9.753 1.00 73.44 C ATOM 260 CD ARG A 616 -5.369 -4.774 -11.028 1.00 34.03 C ATOM 261 NE ARG A 616 -5.932 -5.450 -12.194 1.00 41.34 N ATOM 262 CZ ARG A 616 -5.662 -5.100 -13.447 1.00 41.41 C ATOM 263 NH1 ARG A 616 -4.842 -4.088 -13.695 1.00 21.21 N ATOM 264 NH2 ARG A 616 -6.212 -5.764 -14.455 1.00 54.12 N ATOM 0 H ARG A 616 -6.386 -4.976 -6.673 1.00 22.14 H new ATOM 0 HA ARG A 616 -3.707 -5.120 -7.293 1.00 35.23 H new ATOM 0 HB2 ARG A 616 -4.401 -6.257 -9.212 1.00 3.21 H new ATOM 0 HB3 ARG A 616 -5.767 -6.465 -8.134 1.00 3.21 H new ATOM 0 HG2 ARG A 616 -6.934 -5.808 -9.982 1.00 73.44 H new ATOM 0 HG3 ARG A 616 -6.586 -4.211 -9.351 1.00 73.44 H new ATOM 0 HD2 ARG A 616 -5.392 -3.696 -11.188 1.00 34.03 H new ATOM 0 HD3 ARG A 616 -4.323 -5.057 -10.915 1.00 34.03 H new ATOM 0 HE ARG A 616 -6.567 -6.233 -12.038 1.00 41.34 H new ATOM 0 HH11 ARG A 616 -4.416 -3.576 -12.923 1.00 21.21 H new ATOM 0 HH12 ARG A 616 -4.637 -3.822 -14.658 1.00 21.21 H new ATOM 0 HH21 ARG A 616 -6.843 -6.544 -14.268 1.00 54.12 H new ATOM 0 HH22 ARG A 616 -6.004 -5.495 -15.417 1.00 54.12 H new ATOM 278 N GLN A 617 -5.122 -2.465 -8.535 1.00 34.53 N ATOM 279 CA GLN A 617 -4.873 -1.209 -9.231 1.00 33.20 C ATOM 280 C GLN A 617 -3.987 -0.290 -8.397 1.00 22.34 C ATOM 281 O GLN A 617 -2.936 0.160 -8.854 1.00 65.53 O ATOM 282 CB GLN A 617 -6.195 -0.509 -9.552 1.00 43.32 C ATOM 283 CG GLN A 617 -6.019 0.865 -10.180 1.00 31.35 C ATOM 284 CD GLN A 617 -5.135 0.835 -11.411 1.00 61.50 C ATOM 285 OE1 GLN A 617 -5.574 0.450 -12.495 1.00 33.40 O ATOM 286 NE2 GLN A 617 -3.881 1.241 -11.250 1.00 72.13 N ATOM 0 H GLN A 617 -6.034 -2.523 -8.082 1.00 34.53 H new ATOM 0 HA GLN A 617 -4.354 -1.436 -10.162 1.00 33.20 H new ATOM 0 HB2 GLN A 617 -6.774 -1.137 -10.229 1.00 43.32 H new ATOM 0 HB3 GLN A 617 -6.775 -0.409 -8.635 1.00 43.32 H new ATOM 0 HG2 GLN A 617 -6.997 1.265 -10.449 1.00 31.35 H new ATOM 0 HG3 GLN A 617 -5.588 1.544 -9.444 1.00 31.35 H new ATOM 0 HE21 GLN A 617 -3.559 1.552 -10.333 1.00 72.13 H new ATOM 0 HE22 GLN A 617 -3.239 1.242 -12.043 1.00 72.13 H new ATOM 295 N LEU A 618 -4.418 -0.014 -7.171 1.00 53.32 N ATOM 296 CA LEU A 618 -3.663 0.852 -6.271 1.00 73.15 C ATOM 297 C LEU A 618 -2.289 0.261 -5.971 1.00 54.13 C ATOM 298 O LEU A 618 -1.327 0.991 -5.735 1.00 11.23 O ATOM 299 CB LEU A 618 -4.436 1.064 -4.968 1.00 22.50 C ATOM 300 CG LEU A 618 -4.325 -0.057 -3.932 1.00 53.35 C ATOM 301 CD1 LEU A 618 -3.112 0.158 -3.042 1.00 10.35 C ATOM 302 CD2 LEU A 618 -5.594 -0.139 -3.098 1.00 73.01 C ATOM 0 H LEU A 618 -5.286 -0.377 -6.777 1.00 53.32 H new ATOM 0 HA LEU A 618 -3.524 1.814 -6.764 1.00 73.15 H new ATOM 0 HB2 LEU A 618 -4.090 1.991 -4.510 1.00 22.50 H new ATOM 0 HB3 LEU A 618 -5.489 1.203 -5.212 1.00 22.50 H new ATOM 0 HG LEU A 618 -4.199 -1.003 -4.459 1.00 53.35 H new ATOM 0 HD11 LEU A 618 -3.049 -0.649 -2.312 1.00 10.35 H new ATOM 0 HD12 LEU A 618 -2.209 0.166 -3.653 1.00 10.35 H new ATOM 0 HD13 LEU A 618 -3.206 1.112 -2.522 1.00 10.35 H new ATOM 0 HD21 LEU A 618 -5.497 -0.941 -2.367 1.00 73.01 H new ATOM 0 HD22 LEU A 618 -5.751 0.807 -2.580 1.00 73.01 H new ATOM 0 HD23 LEU A 618 -6.445 -0.342 -3.749 1.00 73.01 H new ATOM 314 N SER A 619 -2.205 -1.066 -5.986 1.00 13.22 N ATOM 315 CA SER A 619 -0.950 -1.755 -5.714 1.00 4.42 C ATOM 316 C SER A 619 0.079 -1.458 -6.800 1.00 41.54 C ATOM 317 O SER A 619 1.232 -1.134 -6.508 1.00 54.24 O ATOM 318 CB SER A 619 -1.183 -3.264 -5.615 1.00 3.41 C ATOM 319 OG SER A 619 -2.046 -3.715 -6.644 1.00 53.23 O ATOM 0 H SER A 619 -2.992 -1.685 -6.184 1.00 13.22 H new ATOM 0 HA SER A 619 -0.563 -1.391 -4.762 1.00 4.42 H new ATOM 0 HB2 SER A 619 -0.229 -3.788 -5.680 1.00 3.41 H new ATOM 0 HB3 SER A 619 -1.613 -3.506 -4.643 1.00 3.41 H new ATOM 0 HG SER A 619 -2.971 -3.714 -6.319 1.00 53.23 H new ATOM 325 N LEU A 620 -0.344 -1.570 -8.054 1.00 70.13 N ATOM 326 CA LEU A 620 0.539 -1.314 -9.186 1.00 72.33 C ATOM 327 C LEU A 620 0.909 0.164 -9.264 1.00 62.53 C ATOM 328 O LEU A 620 2.081 0.514 -9.404 1.00 3.15 O ATOM 329 CB LEU A 620 -0.129 -1.754 -10.490 1.00 52.11 C ATOM 330 CG LEU A 620 0.572 -1.327 -11.781 1.00 34.24 C ATOM 331 CD1 LEU A 620 1.834 -2.147 -11.999 1.00 35.41 C ATOM 332 CD2 LEU A 620 -0.369 -1.466 -12.968 1.00 50.04 C ATOM 0 H LEU A 620 -1.294 -1.837 -8.313 1.00 70.13 H new ATOM 0 HA LEU A 620 1.452 -1.891 -9.041 1.00 72.33 H new ATOM 0 HB2 LEU A 620 -0.208 -2.841 -10.486 1.00 52.11 H new ATOM 0 HB3 LEU A 620 -1.145 -1.361 -10.505 1.00 52.11 H new ATOM 0 HG LEU A 620 0.857 -0.279 -11.689 1.00 34.24 H new ATOM 0 HD11 LEU A 620 2.319 -1.829 -12.922 1.00 35.41 H new ATOM 0 HD12 LEU A 620 2.515 -1.997 -11.161 1.00 35.41 H new ATOM 0 HD13 LEU A 620 1.574 -3.203 -12.071 1.00 35.41 H new ATOM 0 HD21 LEU A 620 0.146 -1.158 -13.878 1.00 50.04 H new ATOM 0 HD22 LEU A 620 -0.684 -2.505 -13.063 1.00 50.04 H new ATOM 0 HD23 LEU A 620 -1.244 -0.834 -12.815 1.00 50.04 H new ATOM 344 N ASP A 621 -0.097 1.026 -9.172 1.00 54.32 N ATOM 345 CA ASP A 621 0.121 2.467 -9.229 1.00 64.33 C ATOM 346 C ASP A 621 1.199 2.892 -8.237 1.00 21.30 C ATOM 347 O ASP A 621 2.187 3.525 -8.613 1.00 31.14 O ATOM 348 CB ASP A 621 -1.181 3.214 -8.939 1.00 2.32 C ATOM 349 CG ASP A 621 -1.268 4.534 -9.679 1.00 2.11 C ATOM 350 OD1 ASP A 621 -0.209 5.063 -10.076 1.00 23.53 O ATOM 351 OD2 ASP A 621 -2.395 5.040 -9.860 1.00 13.41 O ATOM 0 H ASP A 621 -1.073 0.752 -9.057 1.00 54.32 H new ATOM 0 HA ASP A 621 0.458 2.719 -10.234 1.00 64.33 H new ATOM 0 HB2 ASP A 621 -2.027 2.587 -9.220 1.00 2.32 H new ATOM 0 HB3 ASP A 621 -1.261 3.396 -7.867 1.00 2.32 H new ATOM 356 N ILE A 622 1.002 2.541 -6.971 1.00 61.41 N ATOM 357 CA ILE A 622 1.957 2.886 -5.925 1.00 45.12 C ATOM 358 C ILE A 622 3.368 2.450 -6.305 1.00 4.15 C ATOM 359 O ILE A 622 4.344 3.131 -5.992 1.00 4.23 O ATOM 360 CB ILE A 622 1.576 2.241 -4.580 1.00 2.31 C ATOM 361 CG1 ILE A 622 0.251 2.814 -4.073 1.00 22.33 C ATOM 362 CG2 ILE A 622 2.680 2.461 -3.556 1.00 44.52 C ATOM 363 CD1 ILE A 622 -0.441 1.927 -3.060 1.00 71.12 C ATOM 0 H ILE A 622 0.190 2.018 -6.645 1.00 61.41 H new ATOM 0 HA ILE A 622 1.931 3.970 -5.818 1.00 45.12 H new ATOM 0 HB ILE A 622 1.454 1.168 -4.729 1.00 2.31 H new ATOM 0 HG12 ILE A 622 0.434 3.790 -3.624 1.00 22.33 H new ATOM 0 HG13 ILE A 622 -0.415 2.973 -4.921 1.00 22.33 H new ATOM 0 HG21 ILE A 622 2.396 1.999 -2.610 1.00 44.52 H new ATOM 0 HG22 ILE A 622 3.605 2.011 -3.916 1.00 44.52 H new ATOM 0 HG23 ILE A 622 2.830 3.530 -3.407 1.00 44.52 H new ATOM 0 HD11 ILE A 622 -1.373 2.395 -2.744 1.00 71.12 H new ATOM 0 HD12 ILE A 622 -0.656 0.958 -3.511 1.00 71.12 H new ATOM 0 HD13 ILE A 622 0.207 1.789 -2.195 1.00 71.12 H new ATOM 375 N ASN A 623 3.468 1.311 -6.981 1.00 22.43 N ATOM 376 CA ASN A 623 4.761 0.784 -7.404 1.00 71.14 C ATOM 377 C ASN A 623 5.332 1.605 -8.555 1.00 45.24 C ATOM 378 O ASN A 623 6.543 1.811 -8.645 1.00 45.25 O ATOM 379 CB ASN A 623 4.625 -0.681 -7.826 1.00 15.11 C ATOM 380 CG ASN A 623 5.959 -1.306 -8.183 1.00 72.22 C ATOM 381 OD1 ASN A 623 7.011 -0.849 -7.735 1.00 64.15 O ATOM 382 ND2 ASN A 623 5.922 -2.357 -8.994 1.00 54.22 N ATOM 0 H ASN A 623 2.670 0.735 -7.248 1.00 22.43 H new ATOM 0 HA ASN A 623 5.446 0.850 -6.559 1.00 71.14 H new ATOM 0 HB2 ASN A 623 4.166 -1.248 -7.016 1.00 15.11 H new ATOM 0 HB3 ASN A 623 3.954 -0.749 -8.683 1.00 15.11 H new ATOM 0 HD21 ASN A 623 6.788 -2.819 -9.269 1.00 54.22 H new ATOM 0 HD22 ASN A 623 5.027 -2.702 -9.341 1.00 54.22 H new ATOM 389 N LYS A 624 4.453 2.073 -9.436 1.00 21.40 N ATOM 390 CA LYS A 624 4.868 2.873 -10.582 1.00 22.12 C ATOM 391 C LYS A 624 5.280 4.276 -10.145 1.00 31.24 C ATOM 392 O LYS A 624 6.116 4.916 -10.784 1.00 20.44 O ATOM 393 CB LYS A 624 3.735 2.959 -11.606 1.00 42.41 C ATOM 394 CG LYS A 624 4.194 3.406 -12.984 1.00 64.13 C ATOM 395 CD LYS A 624 3.290 4.488 -13.549 1.00 42.14 C ATOM 396 CE LYS A 624 3.810 5.878 -13.215 1.00 53.23 C ATOM 397 NZ LYS A 624 4.161 6.648 -14.441 1.00 0.31 N ATOM 0 H LYS A 624 3.448 1.911 -9.377 1.00 21.40 H new ATOM 0 HA LYS A 624 5.729 2.387 -11.041 1.00 22.12 H new ATOM 0 HB2 LYS A 624 3.257 1.983 -11.690 1.00 42.41 H new ATOM 0 HB3 LYS A 624 2.978 3.654 -11.241 1.00 42.41 H new ATOM 0 HG2 LYS A 624 5.216 3.779 -12.925 1.00 64.13 H new ATOM 0 HG3 LYS A 624 4.206 2.551 -13.660 1.00 64.13 H new ATOM 0 HD2 LYS A 624 3.218 4.375 -14.631 1.00 42.14 H new ATOM 0 HD3 LYS A 624 2.283 4.369 -13.148 1.00 42.14 H new ATOM 0 HE2 LYS A 624 3.054 6.422 -12.648 1.00 53.23 H new ATOM 0 HE3 LYS A 624 4.688 5.793 -12.575 1.00 53.23 H new ATOM 0 HZ1 LYS A 624 4.511 7.589 -14.171 1.00 0.31 H new ATOM 0 HZ2 LYS A 624 4.900 6.142 -14.969 1.00 0.31 H new ATOM 0 HZ3 LYS A 624 3.317 6.751 -15.040 1.00 0.31 H new ATOM 411 N LEU A 625 4.691 4.747 -9.051 1.00 72.53 N ATOM 412 CA LEU A 625 4.997 6.073 -8.528 1.00 41.04 C ATOM 413 C LEU A 625 6.488 6.212 -8.238 1.00 4.54 C ATOM 414 O LEU A 625 7.216 5.227 -8.110 1.00 14.15 O ATOM 415 CB LEU A 625 4.191 6.341 -7.256 1.00 61.21 C ATOM 416 CG LEU A 625 2.912 7.159 -7.431 1.00 72.21 C ATOM 417 CD1 LEU A 625 1.969 6.473 -8.407 1.00 74.25 C ATOM 418 CD2 LEU A 625 2.228 7.374 -6.089 1.00 43.33 C ATOM 0 H LEU A 625 3.999 4.230 -8.509 1.00 72.53 H new ATOM 0 HA LEU A 625 4.722 6.807 -9.285 1.00 41.04 H new ATOM 0 HB2 LEU A 625 3.927 5.383 -6.809 1.00 61.21 H new ATOM 0 HB3 LEU A 625 4.835 6.858 -6.544 1.00 61.21 H new ATOM 0 HG LEU A 625 3.180 8.133 -7.840 1.00 72.21 H new ATOM 0 HD11 LEU A 625 1.064 7.070 -8.519 1.00 74.25 H new ATOM 0 HD12 LEU A 625 2.459 6.371 -9.375 1.00 74.25 H new ATOM 0 HD13 LEU A 625 1.708 5.485 -8.027 1.00 74.25 H new ATOM 0 HD21 LEU A 625 1.319 7.958 -6.233 1.00 43.33 H new ATOM 0 HD22 LEU A 625 1.973 6.409 -5.652 1.00 43.33 H new ATOM 0 HD23 LEU A 625 2.901 7.909 -5.419 1.00 43.33 H new ATOM 430 N PRO A 626 6.957 7.465 -8.128 1.00 54.23 N ATOM 431 CA PRO A 626 8.365 7.762 -7.849 1.00 75.11 C ATOM 432 C PRO A 626 8.766 7.384 -6.427 1.00 53.14 C ATOM 433 O PRO A 626 7.912 7.160 -5.570 1.00 72.42 O ATOM 434 CB PRO A 626 8.452 9.278 -8.045 1.00 61.11 C ATOM 435 CG PRO A 626 7.070 9.773 -7.792 1.00 10.14 C ATOM 436 CD PRO A 626 6.147 8.687 -8.270 1.00 32.44 C ATOM 0 HA PRO A 626 9.037 7.196 -8.493 1.00 75.11 H new ATOM 0 HB2 PRO A 626 9.166 9.726 -7.354 1.00 61.11 H new ATOM 0 HB3 PRO A 626 8.784 9.528 -9.053 1.00 61.11 H new ATOM 0 HG2 PRO A 626 6.917 9.977 -6.732 1.00 10.14 H new ATOM 0 HG3 PRO A 626 6.885 10.705 -8.326 1.00 10.14 H new ATOM 0 HD2 PRO A 626 5.238 8.639 -7.670 1.00 32.44 H new ATOM 0 HD3 PRO A 626 5.839 8.847 -9.303 1.00 32.44 H new ATOM 444 N GLY A 627 10.071 7.317 -6.184 1.00 11.34 N ATOM 445 CA GLY A 627 10.561 6.967 -4.864 1.00 23.13 C ATOM 446 C GLY A 627 9.924 7.798 -3.769 1.00 11.24 C ATOM 447 O GLY A 627 9.313 7.258 -2.847 1.00 64.40 O ATOM 0 H GLY A 627 10.797 7.499 -6.877 1.00 11.34 H new ATOM 0 HA2 GLY A 627 10.365 5.912 -4.675 1.00 23.13 H new ATOM 0 HA3 GLY A 627 11.642 7.100 -4.834 1.00 23.13 H new ATOM 451 N GLU A 628 10.068 9.116 -3.868 1.00 31.35 N ATOM 452 CA GLU A 628 9.503 10.022 -2.875 1.00 50.33 C ATOM 453 C GLU A 628 8.037 9.690 -2.607 1.00 42.13 C ATOM 454 O GLU A 628 7.568 9.772 -1.472 1.00 73.11 O ATOM 455 CB GLU A 628 9.630 11.473 -3.346 1.00 32.41 C ATOM 456 CG GLU A 628 8.878 12.464 -2.474 1.00 21.43 C ATOM 457 CD GLU A 628 9.334 13.893 -2.688 1.00 43.41 C ATOM 458 OE1 GLU A 628 10.561 14.130 -2.702 1.00 14.33 O ATOM 459 OE2 GLU A 628 8.464 14.776 -2.844 1.00 10.14 O ATOM 0 H GLU A 628 10.571 9.580 -4.625 1.00 31.35 H new ATOM 0 HA GLU A 628 10.062 9.898 -1.947 1.00 50.33 H new ATOM 0 HB2 GLU A 628 10.684 11.748 -3.368 1.00 32.41 H new ATOM 0 HB3 GLU A 628 9.260 11.548 -4.369 1.00 32.41 H new ATOM 0 HG2 GLU A 628 7.811 12.392 -2.686 1.00 21.43 H new ATOM 0 HG3 GLU A 628 9.014 12.196 -1.426 1.00 21.43 H new ATOM 466 N LYS A 629 7.319 9.316 -3.660 1.00 65.04 N ATOM 467 CA LYS A 629 5.908 8.970 -3.541 1.00 50.14 C ATOM 468 C LYS A 629 5.727 7.689 -2.733 1.00 43.41 C ATOM 469 O LYS A 629 4.806 7.578 -1.923 1.00 72.12 O ATOM 470 CB LYS A 629 5.284 8.803 -4.929 1.00 33.52 C ATOM 471 CG LYS A 629 4.607 10.059 -5.446 1.00 54.30 C ATOM 472 CD LYS A 629 3.440 10.469 -4.562 1.00 62.01 C ATOM 473 CE LYS A 629 3.538 11.930 -4.152 1.00 44.11 C ATOM 474 NZ LYS A 629 4.217 12.093 -2.837 1.00 64.41 N ATOM 0 H LYS A 629 7.692 9.245 -4.607 1.00 65.04 H new ATOM 0 HA LYS A 629 5.404 9.782 -3.018 1.00 50.14 H new ATOM 0 HB2 LYS A 629 6.060 8.502 -5.633 1.00 33.52 H new ATOM 0 HB3 LYS A 629 4.554 7.994 -4.895 1.00 33.52 H new ATOM 0 HG2 LYS A 629 5.332 10.871 -5.492 1.00 54.30 H new ATOM 0 HG3 LYS A 629 4.252 9.890 -6.463 1.00 54.30 H new ATOM 0 HD2 LYS A 629 2.503 10.301 -5.093 1.00 62.01 H new ATOM 0 HD3 LYS A 629 3.418 9.841 -3.672 1.00 62.01 H new ATOM 0 HE2 LYS A 629 4.085 12.485 -4.914 1.00 44.11 H new ATOM 0 HE3 LYS A 629 2.538 12.360 -4.100 1.00 44.11 H new ATOM 0 HZ1 LYS A 629 3.858 12.947 -2.365 1.00 64.41 H new ATOM 0 HZ2 LYS A 629 4.025 11.262 -2.242 1.00 64.41 H new ATOM 0 HZ3 LYS A 629 5.242 12.184 -2.985 1.00 64.41 H new ATOM 488 N LEU A 630 6.614 6.725 -2.955 1.00 2.31 N ATOM 489 CA LEU A 630 6.554 5.452 -2.246 1.00 73.42 C ATOM 490 C LEU A 630 6.774 5.651 -0.749 1.00 44.25 C ATOM 491 O LEU A 630 6.035 5.114 0.074 1.00 52.42 O ATOM 492 CB LEU A 630 7.599 4.485 -2.803 1.00 62.44 C ATOM 493 CG LEU A 630 7.259 2.998 -2.704 1.00 71.15 C ATOM 494 CD1 LEU A 630 7.989 2.210 -3.781 1.00 63.42 C ATOM 495 CD2 LEU A 630 7.604 2.462 -1.322 1.00 71.15 C ATOM 0 H LEU A 630 7.383 6.801 -3.620 1.00 2.31 H new ATOM 0 HA LEU A 630 5.561 5.028 -2.395 1.00 73.42 H new ATOM 0 HB2 LEU A 630 7.768 4.729 -3.852 1.00 62.44 H new ATOM 0 HB3 LEU A 630 8.540 4.658 -2.280 1.00 62.44 H new ATOM 0 HG LEU A 630 6.187 2.880 -2.860 1.00 71.15 H new ATOM 0 HD11 LEU A 630 7.734 1.154 -3.695 1.00 63.42 H new ATOM 0 HD12 LEU A 630 7.692 2.576 -4.764 1.00 63.42 H new ATOM 0 HD13 LEU A 630 9.065 2.335 -3.657 1.00 63.42 H new ATOM 0 HD21 LEU A 630 7.355 1.402 -1.270 1.00 71.15 H new ATOM 0 HD22 LEU A 630 8.670 2.594 -1.136 1.00 71.15 H new ATOM 0 HD23 LEU A 630 7.034 3.006 -0.568 1.00 71.15 H new ATOM 507 N GLY A 631 7.796 6.428 -0.406 1.00 4.23 N ATOM 508 CA GLY A 631 8.095 6.687 0.991 1.00 61.51 C ATOM 509 C GLY A 631 6.880 7.155 1.767 1.00 64.11 C ATOM 510 O GLY A 631 6.692 6.780 2.924 1.00 3.11 O ATOM 0 H GLY A 631 8.423 6.883 -1.070 1.00 4.23 H new ATOM 0 HA2 GLY A 631 8.488 5.779 1.450 1.00 61.51 H new ATOM 0 HA3 GLY A 631 8.878 7.442 1.058 1.00 61.51 H new ATOM 514 N ARG A 632 6.053 7.977 1.129 1.00 4.00 N ATOM 515 CA ARG A 632 4.851 8.499 1.768 1.00 40.05 C ATOM 516 C ARG A 632 3.798 7.405 1.919 1.00 14.31 C ATOM 517 O ARG A 632 3.119 7.320 2.942 1.00 13.23 O ATOM 518 CB ARG A 632 4.281 9.663 0.956 1.00 71.13 C ATOM 519 CG ARG A 632 4.455 11.016 1.626 1.00 25.50 C ATOM 520 CD ARG A 632 4.994 12.054 0.654 1.00 50.44 C ATOM 521 NE ARG A 632 4.503 13.395 0.957 1.00 14.54 N ATOM 522 CZ ARG A 632 4.860 14.082 2.037 1.00 13.12 C ATOM 523 NH1 ARG A 632 5.707 13.556 2.911 1.00 51.22 N ATOM 524 NH2 ARG A 632 4.370 15.298 2.245 1.00 73.45 N ATOM 0 H ARG A 632 6.193 8.296 0.170 1.00 4.00 H new ATOM 0 HA ARG A 632 5.123 8.857 2.761 1.00 40.05 H new ATOM 0 HB2 ARG A 632 4.765 9.686 -0.020 1.00 71.13 H new ATOM 0 HB3 ARG A 632 3.220 9.487 0.781 1.00 71.13 H new ATOM 0 HG2 ARG A 632 3.498 11.352 2.024 1.00 25.50 H new ATOM 0 HG3 ARG A 632 5.136 10.920 2.472 1.00 25.50 H new ATOM 0 HD2 ARG A 632 6.083 12.051 0.688 1.00 50.44 H new ATOM 0 HD3 ARG A 632 4.706 11.783 -0.362 1.00 50.44 H new ATOM 0 HE ARG A 632 3.850 13.828 0.304 1.00 14.54 H new ATOM 0 HH11 ARG A 632 6.086 12.622 2.755 1.00 51.22 H new ATOM 0 HH12 ARG A 632 5.979 14.085 3.739 1.00 51.22 H new ATOM 0 HH21 ARG A 632 3.718 15.707 1.575 1.00 73.45 H new ATOM 0 HH22 ARG A 632 4.645 15.824 3.075 1.00 73.45 H new ATOM 538 N VAL A 633 3.666 6.571 0.893 1.00 42.43 N ATOM 539 CA VAL A 633 2.695 5.483 0.911 1.00 5.31 C ATOM 540 C VAL A 633 2.999 4.496 2.032 1.00 32.24 C ATOM 541 O VAL A 633 2.204 4.327 2.958 1.00 40.43 O ATOM 542 CB VAL A 633 2.673 4.728 -0.432 1.00 3.24 C ATOM 543 CG1 VAL A 633 1.502 3.758 -0.480 1.00 24.04 C ATOM 544 CG2 VAL A 633 2.611 5.709 -1.593 1.00 23.41 C ATOM 0 H VAL A 633 4.220 6.628 0.038 1.00 42.43 H new ATOM 0 HA VAL A 633 1.717 5.933 1.082 1.00 5.31 H new ATOM 0 HB VAL A 633 3.594 4.153 -0.521 1.00 3.24 H new ATOM 0 HG11 VAL A 633 1.503 3.234 -1.436 1.00 24.04 H new ATOM 0 HG12 VAL A 633 1.595 3.035 0.330 1.00 24.04 H new ATOM 0 HG13 VAL A 633 0.568 4.309 -0.369 1.00 24.04 H new ATOM 0 HG21 VAL A 633 2.596 5.159 -2.534 1.00 23.41 H new ATOM 0 HG22 VAL A 633 1.707 6.313 -1.511 1.00 23.41 H new ATOM 0 HG23 VAL A 633 3.485 6.359 -1.567 1.00 23.41 H new ATOM 554 N VAL A 634 4.154 3.844 1.943 1.00 32.03 N ATOM 555 CA VAL A 634 4.564 2.874 2.952 1.00 43.24 C ATOM 556 C VAL A 634 4.419 3.447 4.356 1.00 21.42 C ATOM 557 O VAL A 634 4.109 2.724 5.304 1.00 30.32 O ATOM 558 CB VAL A 634 6.023 2.426 2.739 1.00 74.02 C ATOM 559 CG1 VAL A 634 6.908 3.623 2.427 1.00 4.11 C ATOM 560 CG2 VAL A 634 6.533 1.678 3.962 1.00 44.31 C ATOM 0 H VAL A 634 4.822 3.970 1.183 1.00 32.03 H new ATOM 0 HA VAL A 634 3.907 2.010 2.847 1.00 43.24 H new ATOM 0 HB VAL A 634 6.057 1.748 1.886 1.00 74.02 H new ATOM 0 HG11 VAL A 634 7.935 3.288 2.280 1.00 4.11 H new ATOM 0 HG12 VAL A 634 6.552 4.112 1.520 1.00 4.11 H new ATOM 0 HG13 VAL A 634 6.872 4.328 3.257 1.00 4.11 H new ATOM 0 HG21 VAL A 634 7.565 1.369 3.795 1.00 44.31 H new ATOM 0 HG22 VAL A 634 6.486 2.331 4.833 1.00 44.31 H new ATOM 0 HG23 VAL A 634 5.914 0.798 4.135 1.00 44.31 H new ATOM 570 N HIS A 635 4.645 4.750 4.485 1.00 54.10 N ATOM 571 CA HIS A 635 4.539 5.421 5.776 1.00 52.23 C ATOM 572 C HIS A 635 3.159 5.202 6.390 1.00 50.34 C ATOM 573 O HIS A 635 3.040 4.860 7.566 1.00 60.44 O ATOM 574 CB HIS A 635 4.808 6.918 5.619 1.00 43.11 C ATOM 575 CG HIS A 635 6.129 7.350 6.178 1.00 61.11 C ATOM 576 ND1 HIS A 635 6.553 7.022 7.449 1.00 33.32 N ATOM 577 CD2 HIS A 635 7.124 8.087 5.631 1.00 54.30 C ATOM 578 CE1 HIS A 635 7.749 7.539 7.660 1.00 44.23 C ATOM 579 NE2 HIS A 635 8.118 8.191 6.572 1.00 44.24 N ATOM 0 H HIS A 635 4.903 5.363 3.711 1.00 54.10 H new ATOM 0 HA HIS A 635 5.287 4.993 6.444 1.00 52.23 H new ATOM 0 HB2 HIS A 635 4.768 7.177 4.561 1.00 43.11 H new ATOM 0 HB3 HIS A 635 4.013 7.476 6.114 1.00 43.11 H new ATOM 0 HD2 HIS A 635 7.134 8.514 4.639 1.00 54.30 H new ATOM 0 HE1 HIS A 635 8.327 7.445 8.567 1.00 44.23 H new ATOM 0 HE2 HIS A 635 8.999 8.691 6.451 1.00 44.24 H new ATOM 587 N ILE A 636 2.120 5.404 5.585 1.00 71.51 N ATOM 588 CA ILE A 636 0.750 5.228 6.050 1.00 62.23 C ATOM 589 C ILE A 636 0.486 3.779 6.448 1.00 43.43 C ATOM 590 O ILE A 636 0.011 3.504 7.550 1.00 43.31 O ATOM 591 CB ILE A 636 -0.268 5.647 4.973 1.00 60.23 C ATOM 592 CG1 ILE A 636 0.197 6.923 4.269 1.00 1.33 C ATOM 593 CG2 ILE A 636 -1.642 5.848 5.593 1.00 33.01 C ATOM 594 CD1 ILE A 636 -0.885 7.591 3.452 1.00 53.34 C ATOM 0 H ILE A 636 2.201 5.689 4.609 1.00 71.51 H new ATOM 0 HA ILE A 636 0.628 5.870 6.923 1.00 62.23 H new ATOM 0 HB ILE A 636 -0.338 4.851 4.232 1.00 60.23 H new ATOM 0 HG12 ILE A 636 0.564 7.627 5.016 1.00 1.33 H new ATOM 0 HG13 ILE A 636 1.037 6.683 3.617 1.00 1.33 H new ATOM 0 HG21 ILE A 636 -2.351 6.144 4.819 1.00 33.01 H new ATOM 0 HG22 ILE A 636 -1.974 4.917 6.052 1.00 33.01 H new ATOM 0 HG23 ILE A 636 -1.588 6.628 6.353 1.00 33.01 H new ATOM 0 HD11 ILE A 636 -0.484 8.489 2.982 1.00 53.34 H new ATOM 0 HD12 ILE A 636 -1.236 6.904 2.682 1.00 53.34 H new ATOM 0 HD13 ILE A 636 -1.717 7.863 4.102 1.00 53.34 H new ATOM 606 N ILE A 637 0.797 2.858 5.543 1.00 72.43 N ATOM 607 CA ILE A 637 0.596 1.437 5.800 1.00 63.12 C ATOM 608 C ILE A 637 1.407 0.977 7.007 1.00 51.23 C ATOM 609 O ILE A 637 1.034 0.023 7.688 1.00 21.22 O ATOM 610 CB ILE A 637 0.986 0.583 4.578 1.00 31.42 C ATOM 611 CG1 ILE A 637 0.265 1.086 3.327 1.00 73.04 C ATOM 612 CG2 ILE A 637 0.660 -0.882 4.831 1.00 34.00 C ATOM 613 CD1 ILE A 637 0.613 0.310 2.076 1.00 12.31 C ATOM 0 H ILE A 637 1.189 3.070 4.625 1.00 72.43 H new ATOM 0 HA ILE A 637 -0.466 1.300 6.005 1.00 63.12 H new ATOM 0 HB ILE A 637 2.060 0.674 4.417 1.00 31.42 H new ATOM 0 HG12 ILE A 637 -0.811 1.031 3.491 1.00 73.04 H new ATOM 0 HG13 ILE A 637 0.511 2.137 3.173 1.00 73.04 H new ATOM 0 HG21 ILE A 637 0.941 -1.473 3.959 1.00 34.00 H new ATOM 0 HG22 ILE A 637 1.214 -1.233 5.701 1.00 34.00 H new ATOM 0 HG23 ILE A 637 -0.409 -0.991 5.014 1.00 34.00 H new ATOM 0 HD11 ILE A 637 0.065 0.722 1.228 1.00 12.31 H new ATOM 0 HD12 ILE A 637 1.684 0.385 1.887 1.00 12.31 H new ATOM 0 HD13 ILE A 637 0.341 -0.737 2.210 1.00 12.31 H new ATOM 625 N GLN A 638 2.515 1.663 7.266 1.00 41.34 N ATOM 626 CA GLN A 638 3.377 1.325 8.392 1.00 41.13 C ATOM 627 C GLN A 638 2.646 1.521 9.715 1.00 42.40 C ATOM 628 O GLN A 638 2.820 0.743 10.653 1.00 30.32 O ATOM 629 CB GLN A 638 4.646 2.180 8.364 1.00 12.45 C ATOM 630 CG GLN A 638 5.898 1.400 7.997 1.00 54.52 C ATOM 631 CD GLN A 638 7.130 2.279 7.916 1.00 13.14 C ATOM 632 OE1 GLN A 638 8.002 2.226 8.785 1.00 42.40 O ATOM 633 NE2 GLN A 638 7.210 3.094 6.870 1.00 31.44 N ATOM 0 H GLN A 638 2.837 2.456 6.711 1.00 41.34 H new ATOM 0 HA GLN A 638 3.653 0.274 8.304 1.00 41.13 H new ATOM 0 HB2 GLN A 638 4.511 2.992 7.649 1.00 12.45 H new ATOM 0 HB3 GLN A 638 4.787 2.638 9.343 1.00 12.45 H new ATOM 0 HG2 GLN A 638 6.063 0.617 8.737 1.00 54.52 H new ATOM 0 HG3 GLN A 638 5.745 0.906 7.038 1.00 54.52 H new ATOM 0 HE21 GLN A 638 6.464 3.105 6.174 1.00 31.44 H new ATOM 0 HE22 GLN A 638 8.017 3.709 6.763 1.00 31.44 H new ATOM 642 N SER A 639 1.828 2.566 9.785 1.00 52.23 N ATOM 643 CA SER A 639 1.072 2.867 10.995 1.00 70.12 C ATOM 644 C SER A 639 -0.340 2.298 10.910 1.00 54.01 C ATOM 645 O SER A 639 -0.978 2.033 11.930 1.00 42.22 O ATOM 646 CB SER A 639 1.012 4.379 11.222 1.00 63.11 C ATOM 647 OG SER A 639 1.477 4.720 12.516 1.00 22.40 O ATOM 0 H SER A 639 1.672 3.219 9.017 1.00 52.23 H new ATOM 0 HA SER A 639 1.583 2.400 11.837 1.00 70.12 H new ATOM 0 HB2 SER A 639 1.616 4.887 10.470 1.00 63.11 H new ATOM 0 HB3 SER A 639 -0.013 4.728 11.097 1.00 63.11 H new ATOM 0 HG SER A 639 1.430 5.692 12.635 1.00 22.40 H new ATOM 653 N ARG A 640 -0.823 2.111 9.686 1.00 53.33 N ATOM 654 CA ARG A 640 -2.162 1.575 9.466 1.00 42.21 C ATOM 655 C ARG A 640 -2.175 0.059 9.642 1.00 23.22 C ATOM 656 O ARG A 640 -3.181 -0.518 10.054 1.00 44.24 O ATOM 657 CB ARG A 640 -2.657 1.941 8.066 1.00 34.43 C ATOM 658 CG ARG A 640 -3.559 3.164 8.039 1.00 23.23 C ATOM 659 CD ARG A 640 -2.882 4.370 8.673 1.00 65.54 C ATOM 660 NE ARG A 640 -3.427 4.673 9.993 1.00 63.31 N ATOM 661 CZ ARG A 640 -2.938 5.616 10.791 1.00 51.13 C ATOM 662 NH1 ARG A 640 -1.901 6.344 10.403 1.00 2.01 N ATOM 663 NH2 ARG A 640 -3.489 5.832 11.979 1.00 55.42 N ATOM 0 H ARG A 640 -0.308 2.322 8.832 1.00 53.33 H new ATOM 0 HA ARG A 640 -2.830 2.016 10.206 1.00 42.21 H new ATOM 0 HB2 ARG A 640 -1.797 2.120 7.421 1.00 34.43 H new ATOM 0 HB3 ARG A 640 -3.198 1.092 7.648 1.00 34.43 H new ATOM 0 HG2 ARG A 640 -3.828 3.396 7.009 1.00 23.23 H new ATOM 0 HG3 ARG A 640 -4.486 2.945 8.569 1.00 23.23 H new ATOM 0 HD2 ARG A 640 -1.812 4.182 8.757 1.00 65.54 H new ATOM 0 HD3 ARG A 640 -3.003 5.237 8.023 1.00 65.54 H new ATOM 0 HE ARG A 640 -4.227 4.131 10.320 1.00 63.31 H new ATOM 0 HH11 ARG A 640 -1.476 6.181 9.490 1.00 2.01 H new ATOM 0 HH12 ARG A 640 -1.527 7.067 11.017 1.00 2.01 H new ATOM 0 HH21 ARG A 640 -4.288 5.274 12.280 1.00 55.42 H new ATOM 0 HH22 ARG A 640 -3.113 6.556 12.591 1.00 55.42 H new ATOM 677 N GLU A 641 -1.052 -0.578 9.327 1.00 24.13 N ATOM 678 CA GLU A 641 -0.935 -2.027 9.450 1.00 54.21 C ATOM 679 C GLU A 641 -0.379 -2.414 10.817 1.00 72.24 C ATOM 680 O GLU A 641 0.800 -2.219 11.113 1.00 61.15 O ATOM 681 CB GLU A 641 -0.036 -2.584 8.344 1.00 40.44 C ATOM 682 CG GLU A 641 -0.056 -4.100 8.251 1.00 64.04 C ATOM 683 CD GLU A 641 -1.291 -4.625 7.546 1.00 72.40 C ATOM 684 OE1 GLU A 641 -2.406 -4.186 7.896 1.00 71.44 O ATOM 685 OE2 GLU A 641 -1.142 -5.477 6.644 1.00 41.41 O ATOM 0 H GLU A 641 -0.210 -0.114 8.985 1.00 24.13 H new ATOM 0 HA GLU A 641 -1.932 -2.456 9.348 1.00 54.21 H new ATOM 0 HB2 GLU A 641 -0.349 -2.165 7.387 1.00 40.44 H new ATOM 0 HB3 GLU A 641 0.988 -2.252 8.518 1.00 40.44 H new ATOM 0 HG2 GLU A 641 0.833 -4.439 7.719 1.00 64.04 H new ATOM 0 HG3 GLU A 641 -0.008 -4.522 9.255 1.00 64.04 H new ATOM 692 N PRO A 642 -1.247 -2.976 11.670 1.00 1.05 N ATOM 693 CA PRO A 642 -0.866 -3.403 13.020 1.00 24.42 C ATOM 694 C PRO A 642 0.056 -4.618 13.005 1.00 2.34 C ATOM 695 O PRO A 642 1.023 -4.684 13.765 1.00 75.42 O ATOM 696 CB PRO A 642 -2.205 -3.756 13.672 1.00 44.23 C ATOM 697 CG PRO A 642 -3.100 -4.107 12.534 1.00 44.33 C ATOM 698 CD PRO A 642 -2.668 -3.238 11.384 1.00 23.52 C ATOM 0 HA PRO A 642 -0.309 -2.630 13.550 1.00 24.42 H new ATOM 0 HB2 PRO A 642 -2.100 -4.591 14.365 1.00 44.23 H new ATOM 0 HB3 PRO A 642 -2.601 -2.916 14.243 1.00 44.23 H new ATOM 0 HG2 PRO A 642 -3.012 -5.163 12.280 1.00 44.33 H new ATOM 0 HG3 PRO A 642 -4.144 -3.927 12.789 1.00 44.33 H new ATOM 0 HD2 PRO A 642 -2.799 -3.743 10.427 1.00 23.52 H new ATOM 0 HD3 PRO A 642 -3.246 -2.315 11.339 1.00 23.52 H new ATOM 706 N SER A 643 -0.249 -5.576 12.136 1.00 4.11 N ATOM 707 CA SER A 643 0.551 -6.790 12.025 1.00 75.11 C ATOM 708 C SER A 643 2.020 -6.452 11.791 1.00 71.22 C ATOM 709 O SER A 643 2.911 -7.225 12.147 1.00 24.14 O ATOM 710 CB SER A 643 0.029 -7.667 10.886 1.00 71.23 C ATOM 711 OG SER A 643 -0.095 -9.017 11.296 1.00 3.05 O ATOM 0 H SER A 643 -1.044 -5.535 11.499 1.00 4.11 H new ATOM 0 HA SER A 643 0.468 -7.339 12.963 1.00 75.11 H new ATOM 0 HB2 SER A 643 -0.939 -7.295 10.551 1.00 71.23 H new ATOM 0 HB3 SER A 643 0.706 -7.603 10.034 1.00 71.23 H new ATOM 0 HG SER A 643 -0.432 -9.556 10.550 1.00 3.05 H new ATOM 717 N LEU A 644 2.266 -5.294 11.188 1.00 41.12 N ATOM 718 CA LEU A 644 3.627 -4.853 10.905 1.00 60.35 C ATOM 719 C LEU A 644 4.520 -5.019 12.130 1.00 34.12 C ATOM 720 O LEU A 644 4.318 -4.364 13.153 1.00 2.34 O ATOM 721 CB LEU A 644 3.627 -3.391 10.454 1.00 23.13 C ATOM 722 CG LEU A 644 4.993 -2.706 10.396 1.00 23.54 C ATOM 723 CD1 LEU A 644 5.029 -1.680 9.274 1.00 14.22 C ATOM 724 CD2 LEU A 644 5.320 -2.052 11.731 1.00 61.40 C ATOM 0 H LEU A 644 1.541 -4.644 10.886 1.00 41.12 H new ATOM 0 HA LEU A 644 4.024 -5.475 10.103 1.00 60.35 H new ATOM 0 HB2 LEU A 644 3.174 -3.337 9.464 1.00 23.13 H new ATOM 0 HB3 LEU A 644 2.987 -2.823 11.129 1.00 23.13 H new ATOM 0 HG LEU A 644 5.749 -3.464 10.191 1.00 23.54 H new ATOM 0 HD11 LEU A 644 6.009 -1.203 9.248 1.00 14.22 H new ATOM 0 HD12 LEU A 644 4.842 -2.176 8.321 1.00 14.22 H new ATOM 0 HD13 LEU A 644 4.262 -0.925 9.447 1.00 14.22 H new ATOM 0 HD21 LEU A 644 6.296 -1.570 11.671 1.00 61.40 H new ATOM 0 HD22 LEU A 644 4.561 -1.306 11.967 1.00 61.40 H new ATOM 0 HD23 LEU A 644 5.338 -2.811 12.513 1.00 61.40 H new ATOM 736 N LYS A 645 5.509 -5.900 12.020 1.00 3.41 N ATOM 737 CA LYS A 645 6.436 -6.151 13.118 1.00 53.22 C ATOM 738 C LYS A 645 7.856 -6.349 12.595 1.00 1.14 C ATOM 739 O LYS A 645 8.626 -7.134 13.147 1.00 1.33 O ATOM 740 CB LYS A 645 5.997 -7.383 13.911 1.00 31.51 C ATOM 741 CG LYS A 645 4.801 -7.131 14.813 1.00 23.52 C ATOM 742 CD LYS A 645 5.228 -6.593 16.169 1.00 41.35 C ATOM 743 CE LYS A 645 4.056 -5.982 16.921 1.00 43.42 C ATOM 744 NZ LYS A 645 3.849 -6.629 18.246 1.00 42.11 N ATOM 0 H LYS A 645 5.689 -6.452 11.182 1.00 3.41 H new ATOM 0 HA LYS A 645 6.427 -5.282 13.775 1.00 53.22 H new ATOM 0 HB2 LYS A 645 5.754 -8.185 13.215 1.00 31.51 H new ATOM 0 HB3 LYS A 645 6.833 -7.731 14.518 1.00 31.51 H new ATOM 0 HG2 LYS A 645 4.127 -6.421 14.335 1.00 23.52 H new ATOM 0 HG3 LYS A 645 4.244 -8.058 14.947 1.00 23.52 H new ATOM 0 HD2 LYS A 645 5.661 -7.399 16.761 1.00 41.35 H new ATOM 0 HD3 LYS A 645 6.007 -5.842 16.035 1.00 41.35 H new ATOM 0 HE2 LYS A 645 4.231 -4.915 17.061 1.00 43.42 H new ATOM 0 HE3 LYS A 645 3.150 -6.081 16.323 1.00 43.42 H new ATOM 0 HZ1 LYS A 645 3.041 -6.184 18.727 1.00 42.11 H new ATOM 0 HZ2 LYS A 645 3.657 -7.642 18.111 1.00 42.11 H new ATOM 0 HZ3 LYS A 645 4.704 -6.513 18.826 1.00 42.11 H new ATOM 758 N ASN A 646 8.196 -5.630 11.531 1.00 74.44 N ATOM 759 CA ASN A 646 9.523 -5.727 10.936 1.00 51.14 C ATOM 760 C ASN A 646 10.581 -5.148 11.869 1.00 30.44 C ATOM 761 O ASN A 646 10.469 -4.009 12.322 1.00 70.44 O ATOM 762 CB ASN A 646 9.557 -4.995 9.593 1.00 43.53 C ATOM 763 CG ASN A 646 9.262 -5.914 8.424 1.00 30.42 C ATOM 764 OD1 ASN A 646 10.067 -6.784 8.085 1.00 33.12 O ATOM 765 ND2 ASN A 646 8.105 -5.727 7.801 1.00 73.35 N ATOM 0 H ASN A 646 7.571 -4.974 11.063 1.00 74.44 H new ATOM 0 HA ASN A 646 9.745 -6.782 10.774 1.00 51.14 H new ATOM 0 HB2 ASN A 646 8.829 -4.184 9.606 1.00 43.53 H new ATOM 0 HB3 ASN A 646 10.538 -4.540 9.455 1.00 43.53 H new ATOM 0 HD21 ASN A 646 7.852 -6.316 7.007 1.00 73.35 H new ATOM 0 HD22 ASN A 646 7.469 -4.995 8.116 1.00 73.35 H new ATOM 772 N SER A 647 11.609 -5.942 12.154 1.00 53.32 N ATOM 773 CA SER A 647 12.686 -5.510 13.037 1.00 20.22 C ATOM 774 C SER A 647 13.349 -4.243 12.506 1.00 14.21 C ATOM 775 O SER A 647 13.791 -3.392 13.277 1.00 14.52 O ATOM 776 CB SER A 647 13.728 -6.620 13.185 1.00 24.24 C ATOM 777 OG SER A 647 13.141 -7.898 13.010 1.00 65.45 O ATOM 0 H SER A 647 11.718 -6.887 11.786 1.00 53.32 H new ATOM 0 HA SER A 647 12.256 -5.292 14.014 1.00 20.22 H new ATOM 0 HB2 SER A 647 14.522 -6.478 12.452 1.00 24.24 H new ATOM 0 HB3 SER A 647 14.190 -6.560 14.171 1.00 24.24 H new ATOM 0 HG SER A 647 13.828 -8.590 13.108 1.00 65.45 H new ATOM 783 N ASN A 648 13.414 -4.126 11.184 1.00 22.14 N ATOM 784 CA ASN A 648 14.023 -2.963 10.549 1.00 23.03 C ATOM 785 C ASN A 648 12.969 -2.114 9.844 1.00 5.32 C ATOM 786 O ASN A 648 12.082 -2.624 9.159 1.00 5.04 O ATOM 787 CB ASN A 648 15.092 -3.404 9.547 1.00 10.12 C ATOM 788 CG ASN A 648 14.494 -3.915 8.250 1.00 21.13 C ATOM 789 OD1 ASN A 648 13.741 -4.889 8.243 1.00 70.40 O ATOM 790 ND2 ASN A 648 14.828 -3.258 7.146 1.00 43.12 N ATOM 0 H ASN A 648 13.053 -4.822 10.532 1.00 22.14 H new ATOM 0 HA ASN A 648 14.490 -2.359 11.327 1.00 23.03 H new ATOM 0 HB2 ASN A 648 15.754 -2.565 9.333 1.00 10.12 H new ATOM 0 HB3 ASN A 648 15.705 -4.187 9.995 1.00 10.12 H new ATOM 0 HD21 ASN A 648 14.457 -3.555 6.244 1.00 43.12 H new ATOM 0 HD22 ASN A 648 15.456 -2.456 7.200 1.00 43.12 H new ATOM 797 N PRO A 649 13.068 -0.787 10.015 1.00 71.33 N ATOM 798 CA PRO A 649 12.133 0.162 9.402 1.00 74.30 C ATOM 799 C PRO A 649 12.300 0.244 7.888 1.00 23.02 C ATOM 800 O PRO A 649 11.507 0.888 7.201 1.00 40.43 O ATOM 801 CB PRO A 649 12.502 1.496 10.054 1.00 21.54 C ATOM 802 CG PRO A 649 13.928 1.339 10.456 1.00 4.31 C ATOM 803 CD PRO A 649 14.099 -0.110 10.817 1.00 5.11 C ATOM 0 HA PRO A 649 11.095 -0.131 9.558 1.00 74.30 H new ATOM 0 HB2 PRO A 649 12.376 2.325 9.358 1.00 21.54 H new ATOM 0 HB3 PRO A 649 11.868 1.704 10.916 1.00 21.54 H new ATOM 0 HG2 PRO A 649 14.596 1.620 9.642 1.00 4.31 H new ATOM 0 HG3 PRO A 649 14.168 1.983 11.302 1.00 4.31 H new ATOM 0 HD2 PRO A 649 15.098 -0.470 10.572 1.00 5.11 H new ATOM 0 HD3 PRO A 649 13.952 -0.278 11.884 1.00 5.11 H new ATOM 811 N ASP A 650 13.334 -0.411 7.375 1.00 64.42 N ATOM 812 CA ASP A 650 13.604 -0.413 5.942 1.00 45.44 C ATOM 813 C ASP A 650 12.884 -1.569 5.255 1.00 45.42 C ATOM 814 O ASP A 650 13.213 -1.933 4.126 1.00 34.14 O ATOM 815 CB ASP A 650 15.109 -0.509 5.685 1.00 42.20 C ATOM 816 CG ASP A 650 15.930 -0.031 6.867 1.00 31.53 C ATOM 817 OD1 ASP A 650 16.214 -0.853 7.764 1.00 50.34 O ATOM 818 OD2 ASP A 650 16.289 1.165 6.895 1.00 52.03 O ATOM 0 H ASP A 650 14.000 -0.948 7.930 1.00 64.42 H new ATOM 0 HA ASP A 650 13.231 0.523 5.526 1.00 45.44 H new ATOM 0 HB2 ASP A 650 15.371 -1.543 5.459 1.00 42.20 H new ATOM 0 HB3 ASP A 650 15.363 0.084 4.806 1.00 42.20 H new ATOM 823 N GLU A 651 11.902 -2.140 5.944 1.00 62.02 N ATOM 824 CA GLU A 651 11.137 -3.256 5.398 1.00 22.15 C ATOM 825 C GLU A 651 9.699 -3.231 5.910 1.00 51.23 C ATOM 826 O GLU A 651 9.451 -2.941 7.081 1.00 74.42 O ATOM 827 CB GLU A 651 11.797 -4.586 5.769 1.00 44.11 C ATOM 828 CG GLU A 651 10.984 -5.804 5.364 1.00 44.35 C ATOM 829 CD GLU A 651 11.707 -7.107 5.644 1.00 73.24 C ATOM 830 OE1 GLU A 651 12.926 -7.065 5.906 1.00 63.10 O ATOM 831 OE2 GLU A 651 11.052 -8.169 5.600 1.00 55.31 O ATOM 0 H GLU A 651 11.617 -1.850 6.879 1.00 62.02 H new ATOM 0 HA GLU A 651 11.121 -3.156 4.313 1.00 22.15 H new ATOM 0 HB2 GLU A 651 12.777 -4.640 5.295 1.00 44.11 H new ATOM 0 HB3 GLU A 651 11.962 -4.612 6.846 1.00 44.11 H new ATOM 0 HG2 GLU A 651 10.035 -5.797 5.900 1.00 44.35 H new ATOM 0 HG3 GLU A 651 10.751 -5.743 4.301 1.00 44.35 H new ATOM 838 N ILE A 652 8.758 -3.535 5.024 1.00 54.55 N ATOM 839 CA ILE A 652 7.345 -3.548 5.385 1.00 42.12 C ATOM 840 C ILE A 652 6.606 -4.677 4.674 1.00 53.45 C ATOM 841 O ILE A 652 6.849 -4.946 3.498 1.00 30.22 O ATOM 842 CB ILE A 652 6.665 -2.209 5.042 1.00 12.34 C ATOM 843 CG1 ILE A 652 5.709 -1.796 6.165 1.00 63.35 C ATOM 844 CG2 ILE A 652 5.921 -2.315 3.720 1.00 72.54 C ATOM 845 CD1 ILE A 652 4.507 -1.019 5.679 1.00 52.22 C ATOM 0 H ILE A 652 8.947 -3.776 4.051 1.00 54.55 H new ATOM 0 HA ILE A 652 7.296 -3.707 6.462 1.00 42.12 H new ATOM 0 HB ILE A 652 7.434 -1.443 4.943 1.00 12.34 H new ATOM 0 HG12 ILE A 652 5.367 -2.690 6.687 1.00 63.35 H new ATOM 0 HG13 ILE A 652 6.253 -1.191 6.891 1.00 63.35 H new ATOM 0 HG21 ILE A 652 5.446 -1.361 3.492 1.00 72.54 H new ATOM 0 HG22 ILE A 652 6.624 -2.569 2.926 1.00 72.54 H new ATOM 0 HG23 ILE A 652 5.159 -3.091 3.792 1.00 72.54 H new ATOM 0 HD11 ILE A 652 3.874 -0.760 6.528 1.00 52.22 H new ATOM 0 HD12 ILE A 652 4.839 -0.107 5.182 1.00 52.22 H new ATOM 0 HD13 ILE A 652 3.940 -1.629 4.976 1.00 52.22 H new ATOM 857 N GLU A 653 5.702 -5.331 5.396 1.00 65.43 N ATOM 858 CA GLU A 653 4.928 -6.431 4.833 1.00 33.42 C ATOM 859 C GLU A 653 3.442 -6.081 4.784 1.00 3.14 C ATOM 860 O GLU A 653 2.740 -6.174 5.791 1.00 32.31 O ATOM 861 CB GLU A 653 5.136 -7.704 5.656 1.00 73.55 C ATOM 862 CG GLU A 653 5.099 -8.978 4.827 1.00 54.33 C ATOM 863 CD GLU A 653 4.828 -10.212 5.665 1.00 30.11 C ATOM 864 OE1 GLU A 653 5.139 -10.187 6.874 1.00 11.45 O ATOM 865 OE2 GLU A 653 4.307 -11.203 5.113 1.00 63.23 O ATOM 0 H GLU A 653 5.488 -5.119 6.370 1.00 65.43 H new ATOM 0 HA GLU A 653 5.277 -6.604 3.815 1.00 33.42 H new ATOM 0 HB2 GLU A 653 6.096 -7.642 6.169 1.00 73.55 H new ATOM 0 HB3 GLU A 653 4.366 -7.759 6.426 1.00 73.55 H new ATOM 0 HG2 GLU A 653 4.328 -8.887 4.062 1.00 54.33 H new ATOM 0 HG3 GLU A 653 6.050 -9.097 4.309 1.00 54.33 H new ATOM 872 N ILE A 654 2.974 -5.678 3.609 1.00 65.43 N ATOM 873 CA ILE A 654 1.574 -5.315 3.428 1.00 22.12 C ATOM 874 C ILE A 654 0.725 -6.541 3.108 1.00 71.23 C ATOM 875 O ILE A 654 0.826 -7.111 2.022 1.00 72.45 O ATOM 876 CB ILE A 654 1.403 -4.277 2.304 1.00 34.01 C ATOM 877 CG1 ILE A 654 2.518 -3.232 2.370 1.00 14.23 C ATOM 878 CG2 ILE A 654 0.039 -3.611 2.402 1.00 14.32 C ATOM 879 CD1 ILE A 654 2.460 -2.215 1.252 1.00 32.42 C ATOM 0 H ILE A 654 3.544 -5.594 2.767 1.00 65.43 H new ATOM 0 HA ILE A 654 1.237 -4.879 4.368 1.00 22.12 H new ATOM 0 HB ILE A 654 1.468 -4.789 1.344 1.00 34.01 H new ATOM 0 HG12 ILE A 654 2.461 -2.712 3.326 1.00 14.23 H new ATOM 0 HG13 ILE A 654 3.482 -3.739 2.339 1.00 14.23 H new ATOM 0 HG21 ILE A 654 -0.067 -2.880 1.601 1.00 14.32 H new ATOM 0 HG22 ILE A 654 -0.742 -4.366 2.310 1.00 14.32 H new ATOM 0 HG23 ILE A 654 -0.053 -3.110 3.365 1.00 14.32 H new ATOM 0 HD11 ILE A 654 3.280 -1.506 1.362 1.00 32.42 H new ATOM 0 HD12 ILE A 654 2.547 -2.724 0.292 1.00 32.42 H new ATOM 0 HD13 ILE A 654 1.511 -1.681 1.295 1.00 32.42 H new ATOM 891 N ASP A 655 -0.112 -6.939 4.058 1.00 33.13 N ATOM 892 CA ASP A 655 -0.982 -8.095 3.876 1.00 34.54 C ATOM 893 C ASP A 655 -2.423 -7.658 3.632 1.00 33.44 C ATOM 894 O ASP A 655 -3.145 -7.309 4.568 1.00 62.25 O ATOM 895 CB ASP A 655 -0.914 -9.009 5.102 1.00 53.25 C ATOM 896 CG ASP A 655 0.477 -9.568 5.330 1.00 70.54 C ATOM 897 OD1 ASP A 655 1.373 -8.789 5.718 1.00 74.30 O ATOM 898 OD2 ASP A 655 0.668 -10.784 5.121 1.00 42.14 O ATOM 0 H ASP A 655 -0.207 -6.478 4.963 1.00 33.13 H new ATOM 0 HA ASP A 655 -0.635 -8.646 3.001 1.00 34.54 H new ATOM 0 HB2 ASP A 655 -1.228 -8.452 5.985 1.00 53.25 H new ATOM 0 HB3 ASP A 655 -1.618 -9.832 4.978 1.00 53.25 H new ATOM 903 N PHE A 656 -2.836 -7.678 2.370 1.00 61.01 N ATOM 904 CA PHE A 656 -4.190 -7.282 2.001 1.00 12.45 C ATOM 905 C PHE A 656 -5.224 -8.064 2.808 1.00 73.32 C ATOM 906 O PHE A 656 -6.283 -7.541 3.151 1.00 54.52 O ATOM 907 CB PHE A 656 -4.421 -7.504 0.505 1.00 5.21 C ATOM 908 CG PHE A 656 -5.714 -6.925 0.006 1.00 52.55 C ATOM 909 CD1 PHE A 656 -6.240 -5.776 0.575 1.00 72.34 C ATOM 910 CD2 PHE A 656 -6.403 -7.530 -1.032 1.00 41.24 C ATOM 911 CE1 PHE A 656 -7.429 -5.241 0.117 1.00 22.35 C ATOM 912 CE2 PHE A 656 -7.593 -6.999 -1.495 1.00 61.11 C ATOM 913 CZ PHE A 656 -8.107 -5.854 -0.918 1.00 70.11 C ATOM 0 H PHE A 656 -2.252 -7.965 1.584 1.00 61.01 H new ATOM 0 HA PHE A 656 -4.305 -6.221 2.225 1.00 12.45 H new ATOM 0 HB2 PHE A 656 -3.595 -7.061 -0.052 1.00 5.21 H new ATOM 0 HB3 PHE A 656 -4.407 -8.574 0.298 1.00 5.21 H new ATOM 0 HD1 PHE A 656 -5.715 -5.293 1.386 1.00 72.34 H new ATOM 0 HD2 PHE A 656 -6.006 -8.427 -1.485 1.00 41.24 H new ATOM 0 HE1 PHE A 656 -7.828 -4.344 0.568 1.00 22.35 H new ATOM 0 HE2 PHE A 656 -8.120 -7.479 -2.307 1.00 61.11 H new ATOM 0 HZ PHE A 656 -9.038 -5.439 -1.276 1.00 70.11 H new ATOM 923 N GLU A 657 -4.906 -9.320 3.105 1.00 3.44 N ATOM 924 CA GLU A 657 -5.807 -10.175 3.870 1.00 54.43 C ATOM 925 C GLU A 657 -6.053 -9.598 5.262 1.00 75.21 C ATOM 926 O GLU A 657 -7.101 -9.829 5.866 1.00 15.35 O ATOM 927 CB GLU A 657 -5.231 -11.587 3.985 1.00 53.03 C ATOM 928 CG GLU A 657 -5.736 -12.539 2.914 1.00 41.31 C ATOM 929 CD GLU A 657 -5.400 -13.987 3.215 1.00 10.53 C ATOM 930 OE1 GLU A 657 -4.199 -14.302 3.346 1.00 3.03 O ATOM 931 OE2 GLU A 657 -6.339 -14.804 3.319 1.00 24.35 O ATOM 0 H GLU A 657 -4.032 -9.768 2.828 1.00 3.44 H new ATOM 0 HA GLU A 657 -6.759 -10.222 3.341 1.00 54.43 H new ATOM 0 HB2 GLU A 657 -4.144 -11.533 3.928 1.00 53.03 H new ATOM 0 HB3 GLU A 657 -5.479 -11.993 4.966 1.00 53.03 H new ATOM 0 HG2 GLU A 657 -6.817 -12.433 2.819 1.00 41.31 H new ATOM 0 HG3 GLU A 657 -5.303 -12.262 1.953 1.00 41.31 H new ATOM 938 N THR A 658 -5.079 -8.847 5.765 1.00 30.45 N ATOM 939 CA THR A 658 -5.187 -8.240 7.086 1.00 52.51 C ATOM 940 C THR A 658 -5.285 -6.722 6.987 1.00 64.15 C ATOM 941 O THR A 658 -5.165 -6.014 7.988 1.00 32.33 O ATOM 942 CB THR A 658 -3.984 -8.608 7.975 1.00 21.41 C ATOM 943 OG1 THR A 658 -2.899 -7.707 7.728 1.00 1.33 O ATOM 944 CG2 THR A 658 -3.533 -10.037 7.710 1.00 43.51 C ATOM 0 H THR A 658 -4.206 -8.644 5.278 1.00 30.45 H new ATOM 0 HA THR A 658 -6.097 -8.632 7.540 1.00 52.51 H new ATOM 0 HB THR A 658 -4.292 -8.528 9.017 1.00 21.41 H new ATOM 0 HG1 THR A 658 -2.139 -7.947 8.298 1.00 1.33 H new ATOM 0 HG21 THR A 658 -2.682 -10.275 8.349 1.00 43.51 H new ATOM 0 HG22 THR A 658 -4.352 -10.723 7.926 1.00 43.51 H new ATOM 0 HG23 THR A 658 -3.241 -10.138 6.665 1.00 43.51 H new ATOM 952 N LEU A 659 -5.504 -6.226 5.773 1.00 24.32 N ATOM 953 CA LEU A 659 -5.617 -4.791 5.543 1.00 15.32 C ATOM 954 C LEU A 659 -7.073 -4.340 5.627 1.00 4.44 C ATOM 955 O LEU A 659 -7.982 -5.061 5.218 1.00 60.44 O ATOM 956 CB LEU A 659 -5.037 -4.426 4.176 1.00 53.53 C ATOM 957 CG LEU A 659 -3.528 -4.182 4.130 1.00 31.13 C ATOM 958 CD1 LEU A 659 -3.059 -4.010 2.694 1.00 30.00 C ATOM 959 CD2 LEU A 659 -3.160 -2.963 4.964 1.00 72.53 C ATOM 0 H LEU A 659 -5.607 -6.797 4.934 1.00 24.32 H new ATOM 0 HA LEU A 659 -5.050 -4.278 6.320 1.00 15.32 H new ATOM 0 HB2 LEU A 659 -5.277 -5.227 3.476 1.00 53.53 H new ATOM 0 HB3 LEU A 659 -5.541 -3.528 3.818 1.00 53.53 H new ATOM 0 HG LEU A 659 -3.025 -5.052 4.553 1.00 31.13 H new ATOM 0 HD11 LEU A 659 -1.983 -3.837 2.681 1.00 30.00 H new ATOM 0 HD12 LEU A 659 -3.289 -4.911 2.126 1.00 30.00 H new ATOM 0 HD13 LEU A 659 -3.569 -3.158 2.244 1.00 30.00 H new ATOM 0 HD21 LEU A 659 -2.083 -2.804 4.920 1.00 72.53 H new ATOM 0 HD22 LEU A 659 -3.673 -2.085 4.571 1.00 72.53 H new ATOM 0 HD23 LEU A 659 -3.461 -3.126 5.999 1.00 72.53 H new ATOM 971 N LYS A 660 -7.285 -3.142 6.160 1.00 52.41 N ATOM 972 CA LYS A 660 -8.629 -2.591 6.296 1.00 52.04 C ATOM 973 C LYS A 660 -9.021 -1.800 5.052 1.00 71.14 C ATOM 974 O LYS A 660 -8.181 -1.435 4.229 1.00 71.23 O ATOM 975 CB LYS A 660 -8.712 -1.692 7.532 1.00 74.34 C ATOM 976 CG LYS A 660 -9.350 -2.368 8.733 1.00 75.21 C ATOM 977 CD LYS A 660 -10.224 -1.403 9.517 1.00 60.51 C ATOM 978 CE LYS A 660 -11.277 -2.140 10.330 1.00 1.21 C ATOM 979 NZ LYS A 660 -12.647 -1.920 9.790 1.00 52.52 N ATOM 0 H LYS A 660 -6.543 -2.533 6.505 1.00 52.41 H new ATOM 0 HA LYS A 660 -9.325 -3.422 6.411 1.00 52.04 H new ATOM 0 HB2 LYS A 660 -7.708 -1.364 7.801 1.00 74.34 H new ATOM 0 HB3 LYS A 660 -9.283 -0.798 7.283 1.00 74.34 H new ATOM 0 HG2 LYS A 660 -9.950 -3.215 8.399 1.00 75.21 H new ATOM 0 HG3 LYS A 660 -8.571 -2.766 9.384 1.00 75.21 H new ATOM 0 HD2 LYS A 660 -9.601 -0.805 10.183 1.00 60.51 H new ATOM 0 HD3 LYS A 660 -10.711 -0.711 8.830 1.00 60.51 H new ATOM 0 HE2 LYS A 660 -11.054 -3.207 10.331 1.00 1.21 H new ATOM 0 HE3 LYS A 660 -11.237 -1.804 11.366 1.00 1.21 H new ATOM 0 HZ1 LYS A 660 -13.337 -2.438 10.371 1.00 52.52 H new ATOM 0 HZ2 LYS A 660 -12.870 -0.904 9.812 1.00 52.52 H new ATOM 0 HZ3 LYS A 660 -12.693 -2.263 8.809 1.00 52.52 H new ATOM 993 N PRO A 661 -10.327 -1.527 4.910 1.00 21.02 N ATOM 994 CA PRO A 661 -10.859 -0.775 3.770 1.00 22.13 C ATOM 995 C PRO A 661 -10.455 0.695 3.806 1.00 12.42 C ATOM 996 O PRO A 661 -10.451 1.373 2.779 1.00 62.13 O ATOM 997 CB PRO A 661 -12.375 -0.917 3.929 1.00 61.25 C ATOM 998 CG PRO A 661 -12.583 -1.155 5.384 1.00 31.24 C ATOM 999 CD PRO A 661 -11.383 -1.932 5.853 1.00 55.42 C ATOM 0 HA PRO A 661 -10.479 -1.151 2.820 1.00 22.13 H new ATOM 0 HB2 PRO A 661 -12.894 -0.018 3.597 1.00 61.25 H new ATOM 0 HB3 PRO A 661 -12.760 -1.745 3.334 1.00 61.25 H new ATOM 0 HG2 PRO A 661 -12.673 -0.213 5.924 1.00 31.24 H new ATOM 0 HG3 PRO A 661 -13.503 -1.713 5.561 1.00 31.24 H new ATOM 0 HD2 PRO A 661 -11.120 -1.684 6.881 1.00 55.42 H new ATOM 0 HD3 PRO A 661 -11.562 -3.007 5.820 1.00 55.42 H new ATOM 1007 N SER A 662 -10.114 1.182 4.995 1.00 14.02 N ATOM 1008 CA SER A 662 -9.713 2.573 5.166 1.00 64.13 C ATOM 1009 C SER A 662 -8.332 2.816 4.563 1.00 73.23 C ATOM 1010 O SER A 662 -8.145 3.726 3.754 1.00 52.10 O ATOM 1011 CB SER A 662 -9.706 2.947 6.649 1.00 51.02 C ATOM 1012 OG SER A 662 -8.625 3.810 6.952 1.00 1.54 O ATOM 0 H SER A 662 -10.108 0.633 5.855 1.00 14.02 H new ATOM 0 HA SER A 662 -10.436 3.200 4.645 1.00 64.13 H new ATOM 0 HB2 SER A 662 -10.647 3.432 6.909 1.00 51.02 H new ATOM 0 HB3 SER A 662 -9.635 2.044 7.255 1.00 51.02 H new ATOM 0 HG SER A 662 -8.778 4.684 6.537 1.00 1.54 H new ATOM 1018 N THR A 663 -7.365 1.995 4.962 1.00 3.15 N ATOM 1019 CA THR A 663 -6.001 2.121 4.464 1.00 74.13 C ATOM 1020 C THR A 663 -5.953 1.964 2.948 1.00 22.45 C ATOM 1021 O THR A 663 -5.138 2.595 2.274 1.00 72.11 O ATOM 1022 CB THR A 663 -5.070 1.077 5.107 1.00 32.22 C ATOM 1023 OG1 THR A 663 -5.200 1.115 6.533 1.00 40.34 O ATOM 1024 CG2 THR A 663 -3.622 1.331 4.718 1.00 61.12 C ATOM 0 H THR A 663 -7.502 1.235 5.629 1.00 3.15 H new ATOM 0 HA THR A 663 -5.656 3.119 4.734 1.00 74.13 H new ATOM 0 HB THR A 663 -5.360 0.091 4.743 1.00 32.22 H new ATOM 0 HG1 THR A 663 -5.012 0.227 6.902 1.00 40.34 H new ATOM 0 HG21 THR A 663 -2.983 0.581 5.184 1.00 61.12 H new ATOM 0 HG22 THR A 663 -3.521 1.271 3.634 1.00 61.12 H new ATOM 0 HG23 THR A 663 -3.323 2.323 5.056 1.00 61.12 H new ATOM 1032 N LEU A 664 -6.830 1.118 2.418 1.00 53.52 N ATOM 1033 CA LEU A 664 -6.888 0.878 0.980 1.00 12.31 C ATOM 1034 C LEU A 664 -7.257 2.154 0.230 1.00 51.23 C ATOM 1035 O LEU A 664 -6.652 2.483 -0.791 1.00 61.20 O ATOM 1036 CB LEU A 664 -7.904 -0.223 0.668 1.00 51.32 C ATOM 1037 CG LEU A 664 -7.394 -1.380 -0.191 1.00 33.53 C ATOM 1038 CD1 LEU A 664 -6.401 -2.227 0.590 1.00 52.25 C ATOM 1039 CD2 LEU A 664 -8.557 -2.233 -0.680 1.00 11.20 C ATOM 0 H LEU A 664 -7.510 0.587 2.962 1.00 53.52 H new ATOM 0 HA LEU A 664 -5.900 0.557 0.649 1.00 12.31 H new ATOM 0 HB2 LEU A 664 -8.270 -0.630 1.611 1.00 51.32 H new ATOM 0 HB3 LEU A 664 -8.757 0.230 0.163 1.00 51.32 H new ATOM 0 HG LEU A 664 -6.882 -0.965 -1.060 1.00 33.53 H new ATOM 0 HD11 LEU A 664 -6.049 -3.046 -0.037 1.00 52.25 H new ATOM 0 HD12 LEU A 664 -5.554 -1.610 0.891 1.00 52.25 H new ATOM 0 HD13 LEU A 664 -6.888 -2.633 1.477 1.00 52.25 H new ATOM 0 HD21 LEU A 664 -8.176 -3.052 -1.290 1.00 11.20 H new ATOM 0 HD22 LEU A 664 -9.096 -2.638 0.176 1.00 11.20 H new ATOM 0 HD23 LEU A 664 -9.232 -1.620 -1.277 1.00 11.20 H new ATOM 1051 N ARG A 665 -8.253 2.870 0.743 1.00 1.21 N ATOM 1052 CA ARG A 665 -8.702 4.110 0.122 1.00 4.34 C ATOM 1053 C ARG A 665 -7.738 5.253 0.432 1.00 75.34 C ATOM 1054 O ARG A 665 -7.441 6.077 -0.432 1.00 52.31 O ATOM 1055 CB ARG A 665 -10.107 4.469 0.607 1.00 15.22 C ATOM 1056 CG ARG A 665 -11.044 4.902 -0.508 1.00 51.34 C ATOM 1057 CD ARG A 665 -10.998 6.407 -0.722 1.00 11.40 C ATOM 1058 NE ARG A 665 -12.304 6.948 -1.090 1.00 23.30 N ATOM 1059 CZ ARG A 665 -12.846 6.803 -2.294 1.00 11.21 C ATOM 1060 NH1 ARG A 665 -12.200 6.136 -3.240 1.00 50.34 N ATOM 1061 NH2 ARG A 665 -14.039 7.324 -2.553 1.00 3.34 N ATOM 0 H ARG A 665 -8.764 2.612 1.587 1.00 1.21 H new ATOM 0 HA ARG A 665 -8.725 3.959 -0.957 1.00 4.34 H new ATOM 0 HB2 ARG A 665 -10.537 3.607 1.117 1.00 15.22 H new ATOM 0 HB3 ARG A 665 -10.035 5.271 1.341 1.00 15.22 H new ATOM 0 HG2 ARG A 665 -10.770 4.394 -1.433 1.00 51.34 H new ATOM 0 HG3 ARG A 665 -12.063 4.599 -0.267 1.00 51.34 H new ATOM 0 HD2 ARG A 665 -10.648 6.892 0.189 1.00 11.40 H new ATOM 0 HD3 ARG A 665 -10.276 6.640 -1.504 1.00 11.40 H new ATOM 0 HE ARG A 665 -12.828 7.465 -0.384 1.00 23.30 H new ATOM 0 HH11 ARG A 665 -11.284 5.732 -3.044 1.00 50.34 H new ATOM 0 HH12 ARG A 665 -12.619 6.026 -4.163 1.00 50.34 H new ATOM 0 HH21 ARG A 665 -14.540 7.836 -1.827 1.00 3.34 H new ATOM 0 HH22 ARG A 665 -14.454 7.212 -3.478 1.00 3.34 H new ATOM 1075 N GLU A 666 -7.256 5.294 1.669 1.00 3.45 N ATOM 1076 CA GLU A 666 -6.328 6.336 2.093 1.00 43.10 C ATOM 1077 C GLU A 666 -5.153 6.445 1.124 1.00 53.31 C ATOM 1078 O GLU A 666 -4.872 7.519 0.591 1.00 45.13 O ATOM 1079 CB GLU A 666 -5.813 6.050 3.505 1.00 23.54 C ATOM 1080 CG GLU A 666 -6.553 6.815 4.589 1.00 34.24 C ATOM 1081 CD GLU A 666 -6.324 6.236 5.971 1.00 10.14 C ATOM 1082 OE1 GLU A 666 -5.206 5.745 6.232 1.00 50.21 O ATOM 1083 OE2 GLU A 666 -7.263 6.275 6.794 1.00 32.22 O ATOM 0 H GLU A 666 -7.492 4.618 2.396 1.00 3.45 H new ATOM 0 HA GLU A 666 -6.865 7.285 2.096 1.00 43.10 H new ATOM 0 HB2 GLU A 666 -5.897 4.982 3.704 1.00 23.54 H new ATOM 0 HB3 GLU A 666 -4.753 6.301 3.554 1.00 23.54 H new ATOM 0 HG2 GLU A 666 -6.231 7.856 4.578 1.00 34.24 H new ATOM 0 HG3 GLU A 666 -7.621 6.809 4.369 1.00 34.24 H new ATOM 1090 N LEU A 667 -4.471 5.327 0.903 1.00 72.40 N ATOM 1091 CA LEU A 667 -3.326 5.294 -0.002 1.00 13.04 C ATOM 1092 C LEU A 667 -3.751 5.620 -1.430 1.00 32.51 C ATOM 1093 O LEU A 667 -3.028 6.291 -2.165 1.00 33.15 O ATOM 1094 CB LEU A 667 -2.656 3.921 0.043 1.00 25.21 C ATOM 1095 CG LEU A 667 -2.402 3.343 1.436 1.00 24.03 C ATOM 1096 CD1 LEU A 667 -2.493 1.825 1.409 1.00 53.23 C ATOM 1097 CD2 LEU A 667 -1.043 3.787 1.958 1.00 2.33 C ATOM 0 H LEU A 667 -4.690 4.431 1.338 1.00 72.40 H new ATOM 0 HA LEU A 667 -2.613 6.050 0.326 1.00 13.04 H new ATOM 0 HB2 LEU A 667 -3.276 3.218 -0.513 1.00 25.21 H new ATOM 0 HB3 LEU A 667 -1.702 3.987 -0.480 1.00 25.21 H new ATOM 0 HG LEU A 667 -3.170 3.721 2.110 1.00 24.03 H new ATOM 0 HD11 LEU A 667 -2.309 1.432 2.409 1.00 53.23 H new ATOM 0 HD12 LEU A 667 -3.488 1.526 1.078 1.00 53.23 H new ATOM 0 HD13 LEU A 667 -1.747 1.428 0.720 1.00 53.23 H new ATOM 0 HD21 LEU A 667 -0.879 3.366 2.950 1.00 2.33 H new ATOM 0 HD22 LEU A 667 -0.262 3.438 1.282 1.00 2.33 H new ATOM 0 HD23 LEU A 667 -1.013 4.875 2.016 1.00 2.33 H new ATOM 1109 N GLU A 668 -4.930 5.140 -1.815 1.00 64.12 N ATOM 1110 CA GLU A 668 -5.451 5.382 -3.155 1.00 24.52 C ATOM 1111 C GLU A 668 -5.702 6.870 -3.382 1.00 61.42 C ATOM 1112 O GLU A 668 -5.679 7.347 -4.516 1.00 14.32 O ATOM 1113 CB GLU A 668 -6.747 4.596 -3.372 1.00 44.03 C ATOM 1114 CG GLU A 668 -7.375 4.825 -4.736 1.00 73.25 C ATOM 1115 CD GLU A 668 -8.399 3.763 -5.092 1.00 25.30 C ATOM 1116 OE1 GLU A 668 -8.009 2.583 -5.222 1.00 51.51 O ATOM 1117 OE2 GLU A 668 -9.588 4.112 -5.241 1.00 1.54 O ATOM 0 H GLU A 668 -5.541 4.582 -1.219 1.00 64.12 H new ATOM 0 HA GLU A 668 -4.704 5.044 -3.873 1.00 24.52 H new ATOM 0 HB2 GLU A 668 -6.542 3.532 -3.249 1.00 44.03 H new ATOM 0 HB3 GLU A 668 -7.464 4.874 -2.600 1.00 44.03 H new ATOM 0 HG2 GLU A 668 -7.852 5.805 -4.752 1.00 73.25 H new ATOM 0 HG3 GLU A 668 -6.592 4.839 -5.495 1.00 73.25 H new ATOM 1124 N ARG A 669 -5.940 7.595 -2.295 1.00 15.20 N ATOM 1125 CA ARG A 669 -6.197 9.028 -2.374 1.00 23.12 C ATOM 1126 C ARG A 669 -4.905 9.798 -2.633 1.00 53.45 C ATOM 1127 O ARG A 669 -4.906 10.817 -3.326 1.00 35.55 O ATOM 1128 CB ARG A 669 -6.847 9.524 -1.081 1.00 73.32 C ATOM 1129 CG ARG A 669 -8.125 10.316 -1.308 1.00 1.43 C ATOM 1130 CD ARG A 669 -8.919 10.472 -0.020 1.00 73.33 C ATOM 1131 NE ARG A 669 -10.348 10.630 -0.275 1.00 75.35 N ATOM 1132 CZ ARG A 669 -11.263 10.696 0.686 1.00 74.30 C ATOM 1133 NH1 ARG A 669 -10.900 10.619 1.958 1.00 72.32 N ATOM 1134 NH2 ARG A 669 -12.545 10.840 0.374 1.00 22.21 N ATOM 0 H ARG A 669 -5.960 7.214 -1.349 1.00 15.20 H new ATOM 0 HA ARG A 669 -6.879 9.204 -3.206 1.00 23.12 H new ATOM 0 HB2 ARG A 669 -7.068 8.668 -0.444 1.00 73.32 H new ATOM 0 HB3 ARG A 669 -6.134 10.147 -0.541 1.00 73.32 H new ATOM 0 HG2 ARG A 669 -7.879 11.300 -1.707 1.00 1.43 H new ATOM 0 HG3 ARG A 669 -8.738 9.813 -2.056 1.00 1.43 H new ATOM 0 HD2 ARG A 669 -8.758 9.600 0.613 1.00 73.33 H new ATOM 0 HD3 ARG A 669 -8.551 11.338 0.530 1.00 73.33 H new ATOM 0 HE ARG A 669 -10.661 10.693 -1.244 1.00 75.35 H new ATOM 0 HH11 ARG A 669 -9.916 10.509 2.202 1.00 72.32 H new ATOM 0 HH12 ARG A 669 -11.605 10.670 2.693 1.00 72.32 H new ATOM 0 HH21 ARG A 669 -12.828 10.900 -0.604 1.00 22.21 H new ATOM 0 HH22 ARG A 669 -13.247 10.891 1.112 1.00 22.21 H new ATOM 1148 N TYR A 670 -3.806 9.305 -2.074 1.00 55.31 N ATOM 1149 CA TYR A 670 -2.508 9.949 -2.241 1.00 73.14 C ATOM 1150 C TYR A 670 -1.917 9.631 -3.612 1.00 53.53 C ATOM 1151 O TYR A 670 -1.346 10.501 -4.270 1.00 45.02 O ATOM 1152 CB TYR A 670 -1.545 9.497 -1.142 1.00 75.11 C ATOM 1153 CG TYR A 670 -1.594 10.362 0.097 1.00 51.21 C ATOM 1154 CD1 TYR A 670 -2.486 10.088 1.126 1.00 60.15 C ATOM 1155 CD2 TYR A 670 -0.747 11.454 0.238 1.00 1.54 C ATOM 1156 CE1 TYR A 670 -2.534 10.876 2.259 1.00 31.50 C ATOM 1157 CE2 TYR A 670 -0.787 12.247 1.369 1.00 41.22 C ATOM 1158 CZ TYR A 670 -1.682 11.954 2.377 1.00 50.14 C ATOM 1159 OH TYR A 670 -1.726 12.743 3.504 1.00 72.45 O ATOM 0 H TYR A 670 -3.787 8.461 -1.501 1.00 55.31 H new ATOM 0 HA TYR A 670 -2.653 11.027 -2.167 1.00 73.14 H new ATOM 0 HB2 TYR A 670 -1.778 8.468 -0.867 1.00 75.11 H new ATOM 0 HB3 TYR A 670 -0.529 9.499 -1.537 1.00 75.11 H new ATOM 0 HD1 TYR A 670 -3.154 9.244 1.038 1.00 60.15 H new ATOM 0 HD2 TYR A 670 -0.046 11.687 -0.549 1.00 1.54 H new ATOM 0 HE1 TYR A 670 -3.235 10.649 3.049 1.00 31.50 H new ATOM 0 HE2 TYR A 670 -0.121 13.092 1.463 1.00 41.22 H new ATOM 0 HH TYR A 670 -1.060 13.458 3.429 1.00 72.45 H new ATOM 1169 N VAL A 671 -2.059 8.380 -4.036 1.00 11.43 N ATOM 1170 CA VAL A 671 -1.542 7.947 -5.329 1.00 1.31 C ATOM 1171 C VAL A 671 -2.290 8.620 -6.474 1.00 3.13 C ATOM 1172 O VAL A 671 -1.720 8.886 -7.532 1.00 70.55 O ATOM 1173 CB VAL A 671 -1.645 6.419 -5.491 1.00 64.21 C ATOM 1174 CG1 VAL A 671 -3.091 6.001 -5.711 1.00 45.31 C ATOM 1175 CG2 VAL A 671 -0.764 5.944 -6.637 1.00 1.32 C ATOM 0 H VAL A 671 -2.528 7.648 -3.503 1.00 11.43 H new ATOM 0 HA VAL A 671 -0.492 8.239 -5.364 1.00 1.31 H new ATOM 0 HB VAL A 671 -1.292 5.950 -4.573 1.00 64.21 H new ATOM 0 HG11 VAL A 671 -3.144 4.918 -5.823 1.00 45.31 H new ATOM 0 HG12 VAL A 671 -3.692 6.307 -4.855 1.00 45.31 H new ATOM 0 HG13 VAL A 671 -3.475 6.478 -6.613 1.00 45.31 H new ATOM 0 HG21 VAL A 671 -0.849 4.862 -6.737 1.00 1.32 H new ATOM 0 HG22 VAL A 671 -1.084 6.420 -7.564 1.00 1.32 H new ATOM 0 HG23 VAL A 671 0.273 6.209 -6.432 1.00 1.32 H new ATOM 1185 N THR A 672 -3.572 8.895 -6.255 1.00 15.51 N ATOM 1186 CA THR A 672 -4.399 9.537 -7.268 1.00 55.35 C ATOM 1187 C THR A 672 -4.098 11.028 -7.361 1.00 73.15 C ATOM 1188 O THR A 672 -4.252 11.638 -8.420 1.00 20.20 O ATOM 1189 CB THR A 672 -5.899 9.346 -6.973 1.00 20.11 C ATOM 1190 OG1 THR A 672 -6.226 7.952 -6.980 1.00 35.22 O ATOM 1191 CG2 THR A 672 -6.751 10.076 -8.000 1.00 13.33 C ATOM 0 H THR A 672 -4.060 8.683 -5.385 1.00 15.51 H new ATOM 0 HA THR A 672 -4.159 9.061 -8.219 1.00 55.35 H new ATOM 0 HB THR A 672 -6.108 9.764 -5.988 1.00 20.11 H new ATOM 0 HG1 THR A 672 -6.297 7.628 -6.058 1.00 35.22 H new ATOM 0 HG21 THR A 672 -7.806 9.926 -7.770 1.00 13.33 H new ATOM 0 HG22 THR A 672 -6.521 11.141 -7.972 1.00 13.33 H new ATOM 0 HG23 THR A 672 -6.537 9.685 -8.995 1.00 13.33 H new ATOM 1199 N SER A 673 -3.667 11.610 -6.247 1.00 45.44 N ATOM 1200 CA SER A 673 -3.345 13.032 -6.203 1.00 14.24 C ATOM 1201 C SER A 673 -2.067 13.326 -6.981 1.00 25.45 C ATOM 1202 O SER A 673 -1.931 14.382 -7.598 1.00 52.42 O ATOM 1203 CB SER A 673 -3.192 13.497 -4.753 1.00 61.34 C ATOM 1204 OG SER A 673 -2.481 14.721 -4.683 1.00 13.13 O ATOM 0 H SER A 673 -3.533 11.119 -5.363 1.00 45.44 H new ATOM 0 HA SER A 673 -4.165 13.579 -6.668 1.00 14.24 H new ATOM 0 HB2 SER A 673 -4.176 13.618 -4.301 1.00 61.34 H new ATOM 0 HB3 SER A 673 -2.668 12.735 -4.177 1.00 61.34 H new ATOM 0 HG SER A 673 -2.398 14.998 -3.747 1.00 13.13 H new ATOM 1210 N CYS A 674 -1.132 12.382 -6.946 1.00 73.14 N ATOM 1211 CA CYS A 674 0.138 12.539 -7.648 1.00 34.40 C ATOM 1212 C CYS A 674 0.028 12.045 -9.087 1.00 50.11 C ATOM 1213 O CYS A 674 0.395 12.752 -10.026 1.00 64.01 O ATOM 1214 CB CYS A 674 1.244 11.776 -6.918 1.00 31.31 C ATOM 1215 SG CYS A 674 2.911 12.149 -7.509 1.00 44.15 S ATOM 0 H CYS A 674 -1.229 11.502 -6.440 1.00 73.14 H new ATOM 0 HA CYS A 674 0.388 13.600 -7.665 1.00 34.40 H new ATOM 0 HB2 CYS A 674 1.187 12.005 -5.854 1.00 31.31 H new ATOM 0 HB3 CYS A 674 1.063 10.706 -7.024 1.00 31.31 H new ATOM 0 HG CYS A 674 2.853 12.562 -8.740 1.00 44.15 H new ATOM 1221 N LEU A 675 -0.478 10.829 -9.253 1.00 71.33 N ATOM 1222 CA LEU A 675 -0.635 10.239 -10.578 1.00 42.11 C ATOM 1223 C LEU A 675 -1.723 10.959 -11.369 1.00 14.44 C ATOM 1224 O LEU A 675 -1.684 11.004 -12.599 1.00 11.50 O ATOM 1225 CB LEU A 675 -0.974 8.752 -10.461 1.00 1.13 C ATOM 1226 CG LEU A 675 -0.330 7.832 -11.498 1.00 3.23 C ATOM 1227 CD1 LEU A 675 -0.593 8.347 -12.904 1.00 55.35 C ATOM 1228 CD2 LEU A 675 1.165 7.708 -11.245 1.00 42.22 C ATOM 0 H LEU A 675 -0.787 10.231 -8.486 1.00 71.33 H new ATOM 0 HA LEU A 675 0.310 10.348 -11.111 1.00 42.11 H new ATOM 0 HB2 LEU A 675 -0.679 8.410 -9.469 1.00 1.13 H new ATOM 0 HB3 LEU A 675 -2.056 8.640 -10.528 1.00 1.13 H new ATOM 0 HG LEU A 675 -0.777 6.842 -11.406 1.00 3.23 H new ATOM 0 HD11 LEU A 675 -0.127 7.680 -13.629 1.00 55.35 H new ATOM 0 HD12 LEU A 675 -1.668 8.384 -13.083 1.00 55.35 H new ATOM 0 HD13 LEU A 675 -0.173 9.347 -13.010 1.00 55.35 H new ATOM 0 HD21 LEU A 675 1.607 7.049 -11.993 1.00 42.22 H new ATOM 0 HD22 LEU A 675 1.628 8.693 -11.310 1.00 42.22 H new ATOM 0 HD23 LEU A 675 1.333 7.293 -10.251 1.00 42.22 H new ATOM 1240 N ARG A 676 -2.691 11.523 -10.655 1.00 13.01 N ATOM 1241 CA ARG A 676 -3.789 12.242 -11.289 1.00 55.15 C ATOM 1242 C ARG A 676 -4.536 11.341 -12.268 1.00 73.14 C ATOM 1243 O ARG A 676 -4.980 11.787 -13.327 1.00 21.12 O ATOM 1244 CB ARG A 676 -3.262 13.479 -12.020 1.00 10.33 C ATOM 1245 CG ARG A 676 -2.984 14.657 -11.101 1.00 34.43 C ATOM 1246 CD ARG A 676 -2.861 15.956 -11.881 1.00 30.12 C ATOM 1247 NE ARG A 676 -2.353 17.047 -11.053 1.00 25.30 N ATOM 1248 CZ ARG A 676 -3.083 17.680 -10.143 1.00 20.05 C ATOM 1249 NH1 ARG A 676 -4.347 17.334 -9.944 1.00 34.02 N ATOM 1250 NH2 ARG A 676 -2.548 18.662 -9.427 1.00 55.22 N ATOM 0 H ARG A 676 -2.737 11.496 -9.636 1.00 13.01 H new ATOM 0 HA ARG A 676 -4.482 12.556 -10.509 1.00 55.15 H new ATOM 0 HB2 ARG A 676 -2.345 13.216 -12.547 1.00 10.33 H new ATOM 0 HB3 ARG A 676 -3.988 13.781 -12.775 1.00 10.33 H new ATOM 0 HG2 ARG A 676 -3.787 14.746 -10.369 1.00 34.43 H new ATOM 0 HG3 ARG A 676 -2.064 14.477 -10.545 1.00 34.43 H new ATOM 0 HD2 ARG A 676 -2.196 15.806 -12.731 1.00 30.12 H new ATOM 0 HD3 ARG A 676 -3.836 16.231 -12.284 1.00 30.12 H new ATOM 0 HE ARG A 676 -1.384 17.338 -11.181 1.00 25.30 H new ATOM 0 HH11 ARG A 676 -4.761 16.579 -10.491 1.00 34.02 H new ATOM 0 HH12 ARG A 676 -4.905 17.822 -9.244 1.00 34.02 H new ATOM 0 HH21 ARG A 676 -1.575 18.930 -9.576 1.00 55.22 H new ATOM 0 HH22 ARG A 676 -3.110 19.148 -8.728 1.00 55.22 H new ATOM 1264 N LYS A 677 -4.672 10.069 -11.907 1.00 50.04 N ATOM 1265 CA LYS A 677 -5.365 9.103 -12.751 1.00 30.02 C ATOM 1266 C LYS A 677 -6.778 8.845 -12.235 1.00 64.13 C ATOM 1267 O LYS A 677 -6.962 8.334 -11.131 1.00 54.12 O ATOM 1268 CB LYS A 677 -4.583 7.789 -12.807 1.00 5.13 C ATOM 1269 CG LYS A 677 -3.842 7.577 -14.116 1.00 25.13 C ATOM 1270 CD LYS A 677 -4.704 6.848 -15.133 1.00 3.22 C ATOM 1271 CE LYS A 677 -3.914 5.776 -15.866 1.00 71.02 C ATOM 1272 NZ LYS A 677 -4.421 4.409 -15.562 1.00 41.02 N ATOM 0 H LYS A 677 -4.311 9.683 -11.035 1.00 50.04 H new ATOM 0 HA LYS A 677 -5.434 9.520 -13.756 1.00 30.02 H new ATOM 0 HB2 LYS A 677 -3.866 7.767 -11.986 1.00 5.13 H new ATOM 0 HB3 LYS A 677 -5.272 6.959 -12.651 1.00 5.13 H new ATOM 0 HG2 LYS A 677 -3.536 8.541 -14.522 1.00 25.13 H new ATOM 0 HG3 LYS A 677 -2.933 7.005 -13.932 1.00 25.13 H new ATOM 0 HD2 LYS A 677 -5.557 6.393 -14.629 1.00 3.22 H new ATOM 0 HD3 LYS A 677 -5.103 7.563 -15.852 1.00 3.22 H new ATOM 0 HE2 LYS A 677 -3.970 5.954 -16.940 1.00 71.02 H new ATOM 0 HE3 LYS A 677 -2.863 5.844 -15.586 1.00 71.02 H new ATOM 0 HZ1 LYS A 677 -3.857 3.706 -16.081 1.00 41.02 H new ATOM 0 HZ2 LYS A 677 -4.344 4.229 -14.541 1.00 41.02 H new ATOM 0 HZ3 LYS A 677 -5.417 4.336 -15.852 1.00 41.02 H new ATOM 1286 N LYS A 678 -7.771 9.201 -13.043 1.00 73.32 N ATOM 1287 CA LYS A 678 -9.168 9.005 -12.670 1.00 65.12 C ATOM 1288 C LYS A 678 -9.681 7.659 -13.171 1.00 41.10 C ATOM 1289 O LYS A 678 -9.989 7.535 -14.355 1.00 61.32 O ATOM 1290 CB LYS A 678 -10.031 10.134 -13.237 1.00 4.41 C ATOM 1291 CG LYS A 678 -11.221 10.488 -12.362 1.00 3.21 C ATOM 1292 CD LYS A 678 -11.208 11.956 -11.970 1.00 0.14 C ATOM 1293 CE LYS A 678 -11.552 12.852 -13.150 1.00 24.14 C ATOM 1294 NZ LYS A 678 -10.688 14.064 -13.196 1.00 50.31 N ATOM 0 H LYS A 678 -7.635 9.627 -13.960 1.00 73.32 H new ATOM 0 HA LYS A 678 -9.233 9.017 -11.582 1.00 65.12 H new ATOM 0 HB2 LYS A 678 -9.412 11.021 -13.370 1.00 4.41 H new ATOM 0 HB3 LYS A 678 -10.390 9.845 -14.225 1.00 4.41 H new ATOM 0 HG2 LYS A 678 -12.145 10.261 -12.894 1.00 3.21 H new ATOM 0 HG3 LYS A 678 -11.210 9.871 -11.464 1.00 3.21 H new ATOM 0 HD2 LYS A 678 -11.922 12.125 -11.164 1.00 0.14 H new ATOM 0 HD3 LYS A 678 -10.224 12.222 -11.585 1.00 0.14 H new ATOM 0 HE2 LYS A 678 -11.440 12.290 -14.077 1.00 24.14 H new ATOM 0 HE3 LYS A 678 -12.597 13.153 -13.085 1.00 24.14 H new ATOM 0 HZ1 LYS A 678 -10.954 14.649 -14.014 1.00 50.31 H new ATOM 0 HZ2 LYS A 678 -10.814 14.614 -12.322 1.00 50.31 H new ATOM 0 HZ3 LYS A 678 -9.692 13.777 -13.284 1.00 50.31 H new TER 1308 LYS A 678 ATOM 1309 N THR B 389 16.588 4.325 -3.693 1.00 65.43 N ATOM 1310 CA THR B 389 15.219 4.699 -3.363 1.00 74.33 C ATOM 1311 C THR B 389 14.432 3.501 -2.842 1.00 60.50 C ATOM 1312 O THR B 389 14.983 2.414 -2.666 1.00 40.12 O ATOM 1313 CB THR B 389 14.487 5.287 -4.584 1.00 22.23 C ATOM 1314 OG1 THR B 389 15.309 5.170 -5.751 1.00 4.14 O ATOM 1315 CG2 THR B 389 14.134 6.748 -4.350 1.00 32.12 C ATOM 0 HA THR B 389 15.278 5.459 -2.584 1.00 74.33 H new ATOM 0 HB THR B 389 13.564 4.726 -4.733 1.00 22.23 H new ATOM 0 HG1 THR B 389 16.205 4.869 -5.491 1.00 4.14 H new ATOM 0 HG21 THR B 389 13.618 7.142 -5.225 1.00 32.12 H new ATOM 0 HG22 THR B 389 13.485 6.830 -3.478 1.00 32.12 H new ATOM 0 HG23 THR B 389 15.046 7.320 -4.179 1.00 32.12 H new ATOM 1323 N TRP B 390 13.143 3.706 -2.599 1.00 1.15 N ATOM 1324 CA TRP B 390 12.281 2.642 -2.098 1.00 75.43 C ATOM 1325 C TRP B 390 11.935 1.654 -3.208 1.00 44.31 C ATOM 1326 O TRP B 390 11.939 2.006 -4.387 1.00 42.25 O ATOM 1327 CB TRP B 390 11.000 3.232 -1.506 1.00 33.12 C ATOM 1328 CG TRP B 390 11.092 3.493 -0.033 1.00 73.42 C ATOM 1329 CD1 TRP B 390 11.713 4.545 0.576 1.00 43.21 C ATOM 1330 CD2 TRP B 390 10.547 2.684 1.016 1.00 52.13 C ATOM 1331 NE1 TRP B 390 11.587 4.441 1.940 1.00 61.32 N ATOM 1332 CE2 TRP B 390 10.875 3.307 2.236 1.00 43.35 C ATOM 1333 CE3 TRP B 390 9.813 1.496 1.044 1.00 20.30 C ATOM 1334 CZ2 TRP B 390 10.494 2.781 3.467 1.00 61.11 C ATOM 1335 CZ3 TRP B 390 9.436 0.974 2.267 1.00 12.40 C ATOM 1336 CH2 TRP B 390 9.776 1.616 3.464 1.00 11.22 C ATOM 0 H TRP B 390 12.671 4.599 -2.741 1.00 1.15 H new ATOM 0 HA TRP B 390 12.821 2.108 -1.317 1.00 75.43 H new ATOM 0 HB2 TRP B 390 10.767 4.165 -2.019 1.00 33.12 H new ATOM 0 HB3 TRP B 390 10.172 2.549 -1.696 1.00 33.12 H new ATOM 0 HD1 TRP B 390 12.228 5.342 0.061 1.00 43.21 H new ATOM 0 HE1 TRP B 390 11.962 5.100 2.622 1.00 61.32 H new ATOM 0 HE3 TRP B 390 9.545 0.994 0.126 1.00 20.30 H new ATOM 0 HZ2 TRP B 390 10.756 3.275 4.391 1.00 61.11 H new ATOM 0 HZ3 TRP B 390 8.869 0.055 2.300 1.00 12.40 H new ATOM 0 HH2 TRP B 390 9.465 1.183 4.403 1.00 11.22 H new ATOM 1347 N ARG B 391 11.636 0.419 -2.822 1.00 63.12 N ATOM 1348 CA ARG B 391 11.289 -0.620 -3.785 1.00 43.45 C ATOM 1349 C ARG B 391 10.044 -1.380 -3.340 1.00 53.21 C ATOM 1350 O ARG B 391 9.506 -1.134 -2.260 1.00 2.31 O ATOM 1351 CB ARG B 391 12.457 -1.592 -3.963 1.00 50.50 C ATOM 1352 CG ARG B 391 12.702 -2.476 -2.752 1.00 4.35 C ATOM 1353 CD ARG B 391 14.030 -3.211 -2.857 1.00 54.42 C ATOM 1354 NE ARG B 391 14.023 -4.463 -2.108 1.00 23.33 N ATOM 1355 CZ ARG B 391 15.031 -5.329 -2.113 1.00 34.11 C ATOM 1356 NH1 ARG B 391 16.121 -5.078 -2.826 1.00 33.23 N ATOM 1357 NH2 ARG B 391 14.951 -6.448 -1.405 1.00 13.44 N ATOM 0 H ARG B 391 11.627 0.113 -1.849 1.00 63.12 H new ATOM 0 HA ARG B 391 11.078 -0.139 -4.740 1.00 43.45 H new ATOM 0 HB2 ARG B 391 12.264 -2.223 -4.830 1.00 50.50 H new ATOM 0 HB3 ARG B 391 13.362 -1.024 -4.177 1.00 50.50 H new ATOM 0 HG2 ARG B 391 12.693 -1.867 -1.848 1.00 4.35 H new ATOM 0 HG3 ARG B 391 11.891 -3.199 -2.658 1.00 4.35 H new ATOM 0 HD2 ARG B 391 14.248 -3.417 -3.905 1.00 54.42 H new ATOM 0 HD3 ARG B 391 14.829 -2.570 -2.485 1.00 54.42 H new ATOM 0 HE ARG B 391 13.199 -4.686 -1.550 1.00 23.33 H new ATOM 0 HH11 ARG B 391 16.187 -4.219 -3.372 1.00 33.23 H new ATOM 0 HH12 ARG B 391 16.893 -5.744 -2.828 1.00 33.23 H new ATOM 0 HH21 ARG B 391 14.115 -6.645 -0.855 1.00 13.44 H new ATOM 0 HH22 ARG B 391 15.726 -7.111 -1.410 1.00 13.44 H new ATOM 1371 N VAL B 392 9.588 -2.304 -4.179 1.00 63.15 N ATOM 1372 CA VAL B 392 8.406 -3.101 -3.873 1.00 3.14 C ATOM 1373 C VAL B 392 8.485 -4.475 -4.529 1.00 14.53 C ATOM 1374 O VAL B 392 8.883 -4.598 -5.687 1.00 1.14 O ATOM 1375 CB VAL B 392 7.118 -2.395 -4.336 1.00 23.04 C ATOM 1376 CG1 VAL B 392 5.903 -3.265 -4.055 1.00 75.35 C ATOM 1377 CG2 VAL B 392 6.982 -1.040 -3.659 1.00 14.01 C ATOM 0 H VAL B 392 10.020 -2.520 -5.078 1.00 63.15 H new ATOM 0 HA VAL B 392 8.376 -3.221 -2.790 1.00 3.14 H new ATOM 0 HB VAL B 392 7.178 -2.234 -5.412 1.00 23.04 H new ATOM 0 HG11 VAL B 392 5.002 -2.750 -4.389 1.00 75.35 H new ATOM 0 HG12 VAL B 392 6.000 -4.210 -4.590 1.00 75.35 H new ATOM 0 HG13 VAL B 392 5.834 -3.460 -2.985 1.00 75.35 H new ATOM 0 HG21 VAL B 392 6.067 -0.554 -3.997 1.00 14.01 H new ATOM 0 HG22 VAL B 392 6.943 -1.176 -2.578 1.00 14.01 H new ATOM 0 HG23 VAL B 392 7.839 -0.417 -3.916 1.00 14.01 H new ATOM 1387 N GLN B 393 8.100 -5.504 -3.781 1.00 71.44 N ATOM 1388 CA GLN B 393 8.127 -6.870 -4.291 1.00 50.24 C ATOM 1389 C GLN B 393 6.881 -7.636 -3.862 1.00 34.24 C ATOM 1390 O GLN B 393 6.710 -7.953 -2.685 1.00 32.54 O ATOM 1391 CB GLN B 393 9.381 -7.596 -3.801 1.00 0.34 C ATOM 1392 CG GLN B 393 10.676 -6.897 -4.180 1.00 31.32 C ATOM 1393 CD GLN B 393 11.739 -7.015 -3.105 1.00 60.45 C ATOM 1394 OE1 GLN B 393 12.762 -7.674 -3.299 1.00 23.23 O ATOM 1395 NE2 GLN B 393 11.504 -6.378 -1.965 1.00 14.33 N ATOM 0 H GLN B 393 7.766 -5.418 -2.821 1.00 71.44 H new ATOM 0 HA GLN B 393 8.145 -6.824 -5.380 1.00 50.24 H new ATOM 0 HB2 GLN B 393 9.334 -7.693 -2.716 1.00 0.34 H new ATOM 0 HB3 GLN B 393 9.390 -8.606 -4.211 1.00 0.34 H new ATOM 0 HG2 GLN B 393 11.056 -7.322 -5.109 1.00 31.32 H new ATOM 0 HG3 GLN B 393 10.473 -5.843 -4.371 1.00 31.32 H new ATOM 0 HE21 GLN B 393 10.643 -5.844 -1.847 1.00 14.33 H new ATOM 0 HE22 GLN B 393 12.184 -6.423 -1.206 1.00 14.33 H new ATOM 1404 N ARG B 394 6.011 -7.930 -4.823 1.00 24.20 N ATOM 1405 CA ARG B 394 4.779 -8.657 -4.544 1.00 23.24 C ATOM 1406 C ARG B 394 5.075 -10.113 -4.195 1.00 71.53 C ATOM 1407 O ARG B 394 6.212 -10.571 -4.307 1.00 43.41 O ATOM 1408 CB ARG B 394 3.838 -8.591 -5.747 1.00 40.01 C ATOM 1409 CG ARG B 394 3.822 -7.234 -6.434 1.00 64.44 C ATOM 1410 CD ARG B 394 4.611 -7.260 -7.735 1.00 22.12 C ATOM 1411 NE ARG B 394 3.737 -7.329 -8.903 1.00 0.22 N ATOM 1412 CZ ARG B 394 3.006 -6.307 -9.335 1.00 53.41 C ATOM 1413 NH1 ARG B 394 3.043 -5.144 -8.698 1.00 22.51 N ATOM 1414 NH2 ARG B 394 2.235 -6.447 -10.406 1.00 62.33 N ATOM 0 H ARG B 394 6.137 -7.675 -5.803 1.00 24.20 H new ATOM 0 HA ARG B 394 4.295 -8.187 -3.688 1.00 23.24 H new ATOM 0 HB2 ARG B 394 4.132 -9.352 -6.470 1.00 40.01 H new ATOM 0 HB3 ARG B 394 2.827 -8.836 -5.421 1.00 40.01 H new ATOM 0 HG2 ARG B 394 2.792 -6.940 -6.637 1.00 64.44 H new ATOM 0 HG3 ARG B 394 4.243 -6.482 -5.767 1.00 64.44 H new ATOM 0 HD2 ARG B 394 5.233 -6.367 -7.800 1.00 22.12 H new ATOM 0 HD3 ARG B 394 5.284 -8.118 -7.734 1.00 22.12 H new ATOM 0 HE ARG B 394 3.685 -8.210 -9.415 1.00 0.22 H new ATOM 0 HH11 ARG B 394 3.634 -5.032 -7.874 1.00 22.51 H new ATOM 0 HH12 ARG B 394 2.481 -4.361 -9.032 1.00 22.51 H new ATOM 0 HH21 ARG B 394 2.203 -7.340 -10.898 1.00 62.33 H new ATOM 0 HH22 ARG B 394 1.674 -5.662 -10.737 1.00 62.33 H new ATOM 1428 N SER B 395 4.043 -10.837 -3.772 1.00 40.40 N ATOM 1429 CA SER B 395 4.192 -12.239 -3.404 1.00 34.41 C ATOM 1430 C SER B 395 3.098 -13.089 -4.043 1.00 44.12 C ATOM 1431 O SER B 395 2.225 -12.572 -4.741 1.00 24.54 O ATOM 1432 CB SER B 395 4.151 -12.396 -1.882 1.00 72.14 C ATOM 1433 OG SER B 395 4.890 -13.531 -1.467 1.00 3.35 O ATOM 0 H SER B 395 3.094 -10.475 -3.676 1.00 40.40 H new ATOM 0 HA SER B 395 5.158 -12.584 -3.773 1.00 34.41 H new ATOM 0 HB2 SER B 395 4.557 -11.501 -1.410 1.00 72.14 H new ATOM 0 HB3 SER B 395 3.117 -12.490 -1.551 1.00 72.14 H new ATOM 0 HG SER B 395 4.850 -13.608 -0.491 1.00 3.35 H new ATOM 1439 N GLN B 396 3.154 -14.395 -3.800 1.00 51.54 N ATOM 1440 CA GLN B 396 2.169 -15.316 -4.353 1.00 54.23 C ATOM 1441 C GLN B 396 0.758 -14.929 -3.919 1.00 74.52 C ATOM 1442 O GLN B 396 -0.214 -15.195 -4.627 1.00 4.22 O ATOM 1443 CB GLN B 396 2.476 -16.748 -3.914 1.00 62.11 C ATOM 1444 CG GLN B 396 2.283 -16.983 -2.424 1.00 2.53 C ATOM 1445 CD GLN B 396 2.890 -18.290 -1.955 1.00 44.22 C ATOM 1446 OE1 GLN B 396 3.588 -18.336 -0.942 1.00 1.12 O ATOM 1447 NE2 GLN B 396 2.627 -19.363 -2.692 1.00 52.21 N ATOM 0 H GLN B 396 3.870 -14.838 -3.225 1.00 51.54 H new ATOM 0 HA GLN B 396 2.224 -15.258 -5.440 1.00 54.23 H new ATOM 0 HB2 GLN B 396 1.835 -17.434 -4.467 1.00 62.11 H new ATOM 0 HB3 GLN B 396 3.505 -16.988 -4.181 1.00 62.11 H new ATOM 0 HG2 GLN B 396 2.732 -16.159 -1.869 1.00 2.53 H new ATOM 0 HG3 GLN B 396 1.217 -16.979 -2.195 1.00 2.53 H new ATOM 0 HE21 GLN B 396 2.043 -19.279 -3.524 1.00 52.21 H new ATOM 0 HE22 GLN B 396 3.009 -20.271 -2.426 1.00 52.21 H new ATOM 1456 N ASN B 397 0.655 -14.303 -2.752 1.00 14.10 N ATOM 1457 CA ASN B 397 -0.638 -13.881 -2.224 1.00 24.53 C ATOM 1458 C ASN B 397 -1.455 -13.164 -3.294 1.00 34.42 C ATOM 1459 O ASN B 397 -0.940 -12.758 -4.334 1.00 53.33 O ATOM 1460 CB ASN B 397 -0.443 -12.963 -1.015 1.00 62.40 C ATOM 1461 CG ASN B 397 -0.813 -13.641 0.291 1.00 43.42 C ATOM 1462 OD1 ASN B 397 -1.715 -13.195 1.000 1.00 70.12 O ATOM 1463 ND2 ASN B 397 -0.116 -14.724 0.614 1.00 50.12 N ATOM 0 H ASN B 397 1.450 -14.077 -2.154 1.00 14.10 H new ATOM 0 HA ASN B 397 -1.183 -14.772 -1.912 1.00 24.53 H new ATOM 0 HB2 ASN B 397 0.597 -12.640 -0.972 1.00 62.40 H new ATOM 0 HB3 ASN B 397 -1.050 -12.067 -1.141 1.00 62.40 H new ATOM 0 HD21 ASN B 397 -0.320 -15.222 1.480 1.00 50.12 H new ATOM 0 HD22 ASN B 397 0.623 -15.058 -0.004 1.00 50.12 H new ATOM 1470 N PRO B 398 -2.762 -13.005 -3.032 1.00 51.12 N ATOM 1471 CA PRO B 398 -3.678 -12.337 -3.959 1.00 53.44 C ATOM 1472 C PRO B 398 -3.415 -10.837 -4.056 1.00 20.30 C ATOM 1473 O PRO B 398 -3.848 -10.180 -5.004 1.00 3.43 O ATOM 1474 CB PRO B 398 -5.057 -12.599 -3.347 1.00 51.20 C ATOM 1475 CG PRO B 398 -4.792 -12.807 -1.896 1.00 13.15 C ATOM 1476 CD PRO B 398 -3.443 -13.465 -1.810 1.00 72.14 C ATOM 0 HA PRO B 398 -3.570 -12.711 -4.977 1.00 53.44 H new ATOM 0 HB2 PRO B 398 -5.729 -11.757 -3.510 1.00 51.20 H new ATOM 0 HB3 PRO B 398 -5.529 -13.475 -3.793 1.00 51.20 H new ATOM 0 HG2 PRO B 398 -4.798 -11.859 -1.359 1.00 13.15 H new ATOM 0 HG3 PRO B 398 -5.561 -13.434 -1.445 1.00 13.15 H new ATOM 0 HD2 PRO B 398 -2.905 -13.163 -0.912 1.00 72.14 H new ATOM 0 HD3 PRO B 398 -3.527 -14.551 -1.781 1.00 72.14 H new ATOM 1484 N LEU B 399 -2.703 -10.303 -3.069 1.00 54.35 N ATOM 1485 CA LEU B 399 -2.380 -8.880 -3.043 1.00 14.51 C ATOM 1486 C LEU B 399 -1.444 -8.556 -1.885 1.00 5.41 C ATOM 1487 O LEU B 399 -1.750 -7.715 -1.040 1.00 54.11 O ATOM 1488 CB LEU B 399 -3.660 -8.050 -2.928 1.00 11.34 C ATOM 1489 CG LEU B 399 -3.788 -6.876 -3.899 1.00 51.33 C ATOM 1490 CD1 LEU B 399 -2.470 -6.125 -4.006 1.00 43.41 C ATOM 1491 CD2 LEU B 399 -4.239 -7.364 -5.269 1.00 2.44 C ATOM 0 H LEU B 399 -2.339 -10.833 -2.277 1.00 54.35 H new ATOM 0 HA LEU B 399 -1.874 -8.629 -3.975 1.00 14.51 H new ATOM 0 HB2 LEU B 399 -4.513 -8.712 -3.076 1.00 11.34 H new ATOM 0 HB3 LEU B 399 -3.729 -7.664 -1.911 1.00 11.34 H new ATOM 0 HG LEU B 399 -4.542 -6.191 -3.513 1.00 51.33 H new ATOM 0 HD11 LEU B 399 -2.581 -5.293 -4.701 1.00 43.41 H new ATOM 0 HD12 LEU B 399 -2.188 -5.743 -3.025 1.00 43.41 H new ATOM 0 HD13 LEU B 399 -1.695 -6.800 -4.368 1.00 43.41 H new ATOM 0 HD21 LEU B 399 -4.325 -6.515 -5.947 1.00 2.44 H new ATOM 0 HD22 LEU B 399 -3.508 -8.070 -5.662 1.00 2.44 H new ATOM 0 HD23 LEU B 399 -5.207 -7.856 -5.179 1.00 2.44 H new ATOM 1503 N LYS B 400 -0.297 -9.226 -1.852 1.00 60.22 N ATOM 1504 CA LYS B 400 0.689 -9.008 -0.800 1.00 53.51 C ATOM 1505 C LYS B 400 1.836 -8.138 -1.301 1.00 65.05 C ATOM 1506 O LYS B 400 2.758 -8.628 -1.956 1.00 44.41 O ATOM 1507 CB LYS B 400 1.232 -10.346 -0.296 1.00 34.42 C ATOM 1508 CG LYS B 400 2.402 -10.207 0.662 1.00 0.24 C ATOM 1509 CD LYS B 400 2.769 -11.539 1.294 1.00 52.52 C ATOM 1510 CE LYS B 400 1.695 -12.010 2.263 1.00 35.31 C ATOM 1511 NZ LYS B 400 2.237 -12.964 3.270 1.00 14.31 N ATOM 0 H LYS B 400 -0.027 -9.926 -2.543 1.00 60.22 H new ATOM 0 HA LYS B 400 0.196 -8.490 0.023 1.00 53.51 H new ATOM 0 HB2 LYS B 400 0.429 -10.890 0.201 1.00 34.42 H new ATOM 0 HB3 LYS B 400 1.543 -10.947 -1.150 1.00 34.42 H new ATOM 0 HG2 LYS B 400 3.264 -9.807 0.128 1.00 0.24 H new ATOM 0 HG3 LYS B 400 2.150 -9.490 1.443 1.00 0.24 H new ATOM 0 HD2 LYS B 400 2.910 -12.287 0.514 1.00 52.52 H new ATOM 0 HD3 LYS B 400 3.719 -11.444 1.820 1.00 52.52 H new ATOM 0 HE2 LYS B 400 1.264 -11.149 2.774 1.00 35.31 H new ATOM 0 HE3 LYS B 400 0.888 -12.488 1.707 1.00 35.31 H new ATOM 0 HZ1 LYS B 400 1.456 -13.352 3.836 1.00 14.31 H new ATOM 0 HZ2 LYS B 400 2.731 -13.739 2.783 1.00 14.31 H new ATOM 0 HZ3 LYS B 400 2.904 -12.467 3.895 1.00 14.31 H new ATOM 1525 N ILE B 401 1.776 -6.848 -0.990 1.00 53.32 N ATOM 1526 CA ILE B 401 2.812 -5.911 -1.408 1.00 30.41 C ATOM 1527 C ILE B 401 3.875 -5.752 -0.327 1.00 44.45 C ATOM 1528 O ILE B 401 3.560 -5.486 0.833 1.00 5.14 O ATOM 1529 CB ILE B 401 2.221 -4.529 -1.740 1.00 74.42 C ATOM 1530 CG1 ILE B 401 0.900 -4.683 -2.497 1.00 51.14 C ATOM 1531 CG2 ILE B 401 3.212 -3.711 -2.554 1.00 12.11 C ATOM 1532 CD1 ILE B 401 -0.317 -4.666 -1.600 1.00 35.41 C ATOM 0 H ILE B 401 1.020 -6.427 -0.449 1.00 53.32 H new ATOM 0 HA ILE B 401 3.269 -6.325 -2.307 1.00 30.41 H new ATOM 0 HB ILE B 401 2.024 -4.001 -0.807 1.00 74.42 H new ATOM 0 HG12 ILE B 401 0.814 -3.879 -3.228 1.00 51.14 H new ATOM 0 HG13 ILE B 401 0.917 -5.620 -3.054 1.00 51.14 H new ATOM 0 HG21 ILE B 401 2.780 -2.736 -2.781 1.00 12.11 H new ATOM 0 HG22 ILE B 401 4.130 -3.576 -1.981 1.00 12.11 H new ATOM 0 HG23 ILE B 401 3.438 -4.233 -3.484 1.00 12.11 H new ATOM 0 HD11 ILE B 401 -1.217 -4.780 -2.205 1.00 35.41 H new ATOM 0 HD12 ILE B 401 -0.254 -5.487 -0.886 1.00 35.41 H new ATOM 0 HD13 ILE B 401 -0.359 -3.719 -1.062 1.00 35.41 H new ATOM 1544 N ARG B 402 5.136 -5.912 -0.717 1.00 32.54 N ATOM 1545 CA ARG B 402 6.246 -5.784 0.219 1.00 22.52 C ATOM 1546 C ARG B 402 7.094 -4.558 -0.107 1.00 63.54 C ATOM 1547 O ARG B 402 7.927 -4.591 -1.014 1.00 42.43 O ATOM 1548 CB ARG B 402 7.116 -7.043 0.186 1.00 54.02 C ATOM 1549 CG ARG B 402 8.195 -7.065 1.256 1.00 24.31 C ATOM 1550 CD ARG B 402 7.799 -7.948 2.429 1.00 44.11 C ATOM 1551 NE ARG B 402 8.858 -8.888 2.788 1.00 72.53 N ATOM 1552 CZ ARG B 402 9.062 -10.041 2.160 1.00 72.43 C ATOM 1553 NH1 ARG B 402 8.283 -10.394 1.146 1.00 42.11 N ATOM 1554 NH2 ARG B 402 10.046 -10.843 2.545 1.00 35.21 N ATOM 0 H ARG B 402 5.414 -6.130 -1.674 1.00 32.54 H new ATOM 0 HA ARG B 402 5.832 -5.662 1.220 1.00 22.52 H new ATOM 0 HB2 ARG B 402 6.478 -7.919 0.307 1.00 54.02 H new ATOM 0 HB3 ARG B 402 7.586 -7.124 -0.794 1.00 54.02 H new ATOM 0 HG2 ARG B 402 9.128 -7.427 0.825 1.00 24.31 H new ATOM 0 HG3 ARG B 402 8.379 -6.050 1.609 1.00 24.31 H new ATOM 0 HD2 ARG B 402 7.562 -7.323 3.290 1.00 44.11 H new ATOM 0 HD3 ARG B 402 6.894 -8.500 2.178 1.00 44.11 H new ATOM 0 HE ARG B 402 9.475 -8.646 3.563 1.00 72.53 H new ATOM 0 HH11 ARG B 402 7.526 -9.780 0.847 1.00 42.11 H new ATOM 0 HH12 ARG B 402 8.441 -11.280 0.665 1.00 42.11 H new ATOM 0 HH21 ARG B 402 10.647 -10.575 3.324 1.00 35.21 H new ATOM 0 HH22 ARG B 402 10.201 -11.728 2.062 1.00 35.21 H new ATOM 1568 N LEU B 403 6.876 -3.480 0.635 1.00 31.14 N ATOM 1569 CA LEU B 403 7.620 -2.242 0.426 1.00 71.54 C ATOM 1570 C LEU B 403 8.864 -2.197 1.307 1.00 13.03 C ATOM 1571 O LEU B 403 8.811 -2.535 2.491 1.00 23.11 O ATOM 1572 CB LEU B 403 6.730 -1.033 0.717 1.00 33.05 C ATOM 1573 CG LEU B 403 5.864 -0.541 -0.442 1.00 35.11 C ATOM 1574 CD1 LEU B 403 5.208 -1.715 -1.155 1.00 1.34 C ATOM 1575 CD2 LEU B 403 4.810 0.437 0.056 1.00 1.31 C ATOM 0 H LEU B 403 6.189 -3.437 1.388 1.00 31.14 H new ATOM 0 HA LEU B 403 7.936 -2.210 -0.617 1.00 71.54 H new ATOM 0 HB2 LEU B 403 6.076 -1.282 1.553 1.00 33.05 H new ATOM 0 HB3 LEU B 403 7.365 -0.210 1.044 1.00 33.05 H new ATOM 0 HG LEU B 403 6.506 -0.022 -1.154 1.00 35.11 H new ATOM 0 HD11 LEU B 403 4.595 -1.345 -1.977 1.00 1.34 H new ATOM 0 HD12 LEU B 403 5.978 -2.379 -1.547 1.00 1.34 H new ATOM 0 HD13 LEU B 403 4.580 -2.263 -0.452 1.00 1.34 H new ATOM 0 HD21 LEU B 403 4.203 0.776 -0.783 1.00 1.31 H new ATOM 0 HD22 LEU B 403 4.172 -0.057 0.789 1.00 1.31 H new ATOM 0 HD23 LEU B 403 5.299 1.294 0.520 1.00 1.31 H new ATOM 1587 N THR B 404 9.982 -1.776 0.724 1.00 11.02 N ATOM 1588 CA THR B 404 11.238 -1.686 1.456 1.00 12.04 C ATOM 1589 C THR B 404 12.103 -0.548 0.927 1.00 73.13 C ATOM 1590 O THR B 404 12.147 -0.298 -0.278 1.00 32.52 O ATOM 1591 CB THR B 404 12.034 -3.003 1.372 1.00 54.34 C ATOM 1592 OG1 THR B 404 12.587 -3.157 0.060 1.00 23.02 O ATOM 1593 CG2 THR B 404 11.145 -4.194 1.696 1.00 13.12 C ATOM 0 H THR B 404 10.043 -1.492 -0.254 1.00 11.02 H new ATOM 0 HA THR B 404 10.983 -1.491 2.497 1.00 12.04 H new ATOM 0 HB THR B 404 12.841 -2.962 2.104 1.00 54.34 H new ATOM 0 HG1 THR B 404 13.564 -3.208 0.121 1.00 23.02 H new ATOM 0 HG21 THR B 404 11.729 -5.112 1.630 1.00 13.12 H new ATOM 0 HG22 THR B 404 10.748 -4.088 2.706 1.00 13.12 H new ATOM 0 HG23 THR B 404 10.320 -4.237 0.985 1.00 13.12 H new ATOM 1601 N ARG B 405 12.790 0.139 1.834 1.00 54.02 N ATOM 1602 CA ARG B 405 13.653 1.252 1.456 1.00 25.33 C ATOM 1603 C ARG B 405 14.587 0.854 0.317 1.00 71.23 C ATOM 1604 O ARG B 405 15.745 0.504 0.544 1.00 61.14 O ATOM 1605 CB ARG B 405 14.473 1.720 2.661 1.00 53.24 C ATOM 1606 CG ARG B 405 13.648 2.444 3.713 1.00 22.14 C ATOM 1607 CD ARG B 405 14.498 2.837 4.912 1.00 21.11 C ATOM 1608 NE ARG B 405 15.835 3.272 4.516 1.00 11.13 N ATOM 1609 CZ ARG B 405 16.078 4.408 3.872 1.00 35.02 C ATOM 1610 NH1 ARG B 405 15.079 5.220 3.554 1.00 75.41 N ATOM 1611 NH2 ARG B 405 17.321 4.735 3.547 1.00 52.02 N ATOM 0 H ARG B 405 12.766 -0.055 2.835 1.00 54.02 H new ATOM 0 HA ARG B 405 13.020 2.071 1.114 1.00 25.33 H new ATOM 0 HB2 ARG B 405 14.955 0.857 3.120 1.00 53.24 H new ATOM 0 HB3 ARG B 405 15.267 2.382 2.315 1.00 53.24 H new ATOM 0 HG2 ARG B 405 13.199 3.336 3.275 1.00 22.14 H new ATOM 0 HG3 ARG B 405 12.829 1.803 4.040 1.00 22.14 H new ATOM 0 HD2 ARG B 405 14.003 3.639 5.460 1.00 21.11 H new ATOM 0 HD3 ARG B 405 14.579 1.989 5.592 1.00 21.11 H new ATOM 0 HE ARG B 405 16.626 2.670 4.747 1.00 11.13 H new ATOM 0 HH11 ARG B 405 14.122 4.973 3.804 1.00 75.41 H new ATOM 0 HH12 ARG B 405 15.268 6.092 3.059 1.00 75.41 H new ATOM 0 HH21 ARG B 405 18.092 4.114 3.791 1.00 52.02 H new ATOM 0 HH22 ARG B 405 17.506 5.608 3.052 1.00 52.02 H new TER 1625 ARG B 405