USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 106 GLN : amide:sc= 0.115 K(o=1.1,f=0.25) USER MOD Set 1.2: B 110 TYR OH : rot 78:sc= 0.945 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.126 (180deg=-0.646) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0142 (180deg=-0.186) USER MOD Single : A 3 SER OG : rot -30:sc= 0.402 USER MOD Single : A 6 SER OG : rot 180:sc= -0.172 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.25 K(o=-1.3,f=-6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 81:sc= 0.125 USER MOD Single : A 20 ASN : amide:sc= 0.799 K(o=0.8,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 24 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1.5) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0423) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0569 (180deg=-0.348) USER MOD Single : A 39 GLN : amide:sc= -0.797 K(o=-0.8,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 53 ASN : amide:sc= -0.147 K(o=-0.15,f=-3!) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.91) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -3.02! K(o=-3!,f=-1.4) USER MOD Single : B 111 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0894) USER MOD Single : B 112 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.054) USER MOD Single : B 115 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 123 LYS NZ :NH3+ 153:sc= 0.184 (180deg=-1.01!) USER MOD Single : B 130 SER OG : rot -27:sc= 0.223 USER MOD Single : B 133 THR OG1 : rot 180:sc= -0.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.767 -6.565 7.594 1.00 0.00 N ATOM 2 CA MET A 1 30.676 -5.481 8.027 1.00 0.00 C ATOM 3 C MET A 1 31.393 -4.894 6.822 1.00 0.00 C ATOM 4 O MET A 1 32.240 -5.551 6.219 1.00 0.00 O ATOM 5 CB MET A 1 31.704 -6.009 9.031 1.00 0.00 C ATOM 6 CG MET A 1 31.092 -6.639 10.273 1.00 0.00 C ATOM 7 SD MET A 1 30.092 -5.482 11.229 1.00 0.00 S ATOM 8 CE MET A 1 31.313 -4.239 11.637 1.00 0.00 C ATOM 0 H1 MET A 1 29.147 -6.835 8.384 1.00 0.00 H new ATOM 0 H2 MET A 1 29.187 -6.234 6.797 1.00 0.00 H new ATOM 0 H3 MET A 1 30.327 -7.389 7.296 1.00 0.00 H new ATOM 0 HA MET A 1 30.082 -4.705 8.509 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.334 -6.747 8.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.353 -5.188 9.335 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.474 -7.487 9.977 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.889 -7.031 10.905 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.969 -3.659 12.493 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.258 -4.724 11.883 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.457 -3.576 10.784 1.00 0.00 H new ATOM 20 N ASP A 2 31.046 -3.665 6.462 1.00 0.00 N ATOM 21 CA ASP A 2 31.637 -3.023 5.295 1.00 0.00 C ATOM 22 C ASP A 2 32.476 -1.821 5.719 1.00 0.00 C ATOM 23 O ASP A 2 32.109 -1.097 6.646 1.00 0.00 O ATOM 24 CB ASP A 2 30.542 -2.588 4.319 1.00 0.00 C ATOM 25 CG ASP A 2 31.085 -2.273 2.940 1.00 0.00 C ATOM 26 OD1 ASP A 2 31.014 -3.153 2.056 1.00 0.00 O ATOM 27 OD2 ASP A 2 31.592 -1.156 2.735 1.00 0.00 O ATOM 0 H ASP A 2 30.361 -3.095 6.959 1.00 0.00 H new ATOM 0 HA ASP A 2 32.287 -3.741 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 2 29.795 -3.378 4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 2 30.035 -1.709 4.716 1.00 0.00 H new ATOM 32 N SER A 3 33.597 -1.609 5.042 1.00 0.00 N ATOM 33 CA SER A 3 34.526 -0.549 5.414 1.00 0.00 C ATOM 34 C SER A 3 34.240 0.740 4.641 1.00 0.00 C ATOM 35 O SER A 3 34.872 1.772 4.880 1.00 0.00 O ATOM 36 CB SER A 3 35.968 -1.009 5.173 1.00 0.00 C ATOM 37 OG SER A 3 36.906 -0.014 5.553 1.00 0.00 O ATOM 0 H SER A 3 33.886 -2.157 4.232 1.00 0.00 H new ATOM 0 HA SER A 3 34.391 -0.335 6.474 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.158 -1.922 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 36.101 -1.251 4.119 1.00 0.00 H new ATOM 0 HG SER A 3 36.506 0.873 5.439 1.00 0.00 H new ATOM 43 N ALA A 4 33.297 0.682 3.715 1.00 0.00 N ATOM 44 CA ALA A 4 32.901 1.858 2.960 1.00 0.00 C ATOM 45 C ALA A 4 31.515 2.311 3.390 1.00 0.00 C ATOM 46 O ALA A 4 31.286 3.490 3.652 1.00 0.00 O ATOM 47 CB ALA A 4 32.935 1.573 1.468 1.00 0.00 C ATOM 0 H ALA A 4 32.791 -0.169 3.468 1.00 0.00 H new ATOM 0 HA ALA A 4 33.609 2.661 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 4 32.635 2.466 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 4 33.946 1.290 1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 4 32.248 0.758 1.237 1.00 0.00 H new ATOM 53 N ILE A 5 30.590 1.363 3.464 1.00 0.00 N ATOM 54 CA ILE A 5 29.244 1.651 3.930 1.00 0.00 C ATOM 55 C ILE A 5 29.237 1.782 5.449 1.00 0.00 C ATOM 56 O ILE A 5 29.259 0.783 6.168 1.00 0.00 O ATOM 57 CB ILE A 5 28.251 0.550 3.506 1.00 0.00 C ATOM 58 CG1 ILE A 5 28.333 0.318 1.995 1.00 0.00 C ATOM 59 CG2 ILE A 5 26.832 0.932 3.912 1.00 0.00 C ATOM 60 CD1 ILE A 5 27.491 -0.843 1.511 1.00 0.00 C ATOM 0 H ILE A 5 30.749 0.389 3.207 1.00 0.00 H new ATOM 0 HA ILE A 5 28.928 2.590 3.475 1.00 0.00 H new ATOM 0 HB ILE A 5 28.517 -0.377 4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 5 28.016 1.225 1.479 1.00 0.00 H new ATOM 0 HG13 ILE A 5 29.373 0.141 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 5 26.142 0.146 3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.784 1.056 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.554 1.867 3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 5 27.600 -0.946 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 5 27.822 -1.760 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 5 26.444 -0.660 1.754 1.00 0.00 H new ATOM 72 N SER A 6 29.234 3.015 5.929 1.00 0.00 N ATOM 73 CA SER A 6 29.243 3.279 7.357 1.00 0.00 C ATOM 74 C SER A 6 27.814 3.319 7.891 1.00 0.00 C ATOM 75 O SER A 6 26.857 3.176 7.122 1.00 0.00 O ATOM 76 CB SER A 6 29.959 4.611 7.634 1.00 0.00 C ATOM 77 OG SER A 6 30.111 4.845 9.024 1.00 0.00 O ATOM 0 H SER A 6 29.225 3.852 5.346 1.00 0.00 H new ATOM 0 HA SER A 6 29.780 2.479 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.939 4.604 7.157 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.393 5.428 7.187 1.00 0.00 H new ATOM 0 HG SER A 6 30.571 5.699 9.164 1.00 0.00 H new ATOM 83 N LYS A 7 27.664 3.515 9.198 1.00 0.00 N ATOM 84 CA LYS A 7 26.353 3.730 9.787 1.00 0.00 C ATOM 85 C LYS A 7 25.715 4.950 9.138 1.00 0.00 C ATOM 86 O LYS A 7 24.496 5.076 9.072 1.00 0.00 O ATOM 87 CB LYS A 7 26.470 3.944 11.295 1.00 0.00 C ATOM 88 CG LYS A 7 25.124 4.003 11.996 1.00 0.00 C ATOM 89 CD LYS A 7 25.251 4.469 13.436 1.00 0.00 C ATOM 90 CE LYS A 7 26.077 3.507 14.272 1.00 0.00 C ATOM 91 NZ LYS A 7 26.299 4.028 15.644 1.00 0.00 N ATOM 0 H LYS A 7 28.435 3.529 9.866 1.00 0.00 H new ATOM 0 HA LYS A 7 25.733 2.850 9.615 1.00 0.00 H new ATOM 0 HB2 LYS A 7 27.062 3.136 11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 7 27.012 4.871 11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 7 24.462 4.678 11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 7 24.660 3.017 11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 7 25.711 5.457 13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 7 24.258 4.570 13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.571 2.543 14.326 1.00 0.00 H new ATOM 0 HE3 LYS A 7 27.038 3.336 13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 26.866 3.346 16.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 26.804 4.936 15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.382 4.168 16.115 1.00 0.00 H new ATOM 105 N GLU A 8 26.575 5.833 8.646 1.00 0.00 N ATOM 106 CA GLU A 8 26.172 7.003 7.918 1.00 0.00 C ATOM 107 C GLU A 8 25.227 6.631 6.771 1.00 0.00 C ATOM 108 O GLU A 8 24.057 7.017 6.775 1.00 0.00 O ATOM 109 CB GLU A 8 27.436 7.660 7.389 1.00 0.00 C ATOM 110 CG GLU A 8 27.194 8.901 6.584 1.00 0.00 C ATOM 111 CD GLU A 8 26.738 10.069 7.433 1.00 0.00 C ATOM 112 OE1 GLU A 8 25.551 10.107 7.823 1.00 0.00 O ATOM 113 OE2 GLU A 8 27.570 10.948 7.738 1.00 0.00 O ATOM 0 H GLU A 8 27.586 5.744 8.750 1.00 0.00 H new ATOM 0 HA GLU A 8 25.628 7.690 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 8 28.083 7.907 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 8 27.975 6.940 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 8 28.110 9.174 6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 8 26.441 8.695 5.823 1.00 0.00 H new ATOM 120 N ASP A 9 25.733 5.858 5.812 1.00 0.00 N ATOM 121 CA ASP A 9 24.929 5.426 4.668 1.00 0.00 C ATOM 122 C ASP A 9 23.758 4.566 5.124 1.00 0.00 C ATOM 123 O ASP A 9 22.652 4.672 4.588 1.00 0.00 O ATOM 124 CB ASP A 9 25.781 4.639 3.669 1.00 0.00 C ATOM 125 CG ASP A 9 24.983 4.194 2.457 1.00 0.00 C ATOM 126 OD1 ASP A 9 24.567 3.022 2.406 1.00 0.00 O ATOM 127 OD2 ASP A 9 24.769 5.022 1.545 1.00 0.00 O ATOM 0 H ASP A 9 26.695 5.518 5.803 1.00 0.00 H new ATOM 0 HA ASP A 9 24.544 6.321 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 9 26.618 5.256 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.203 3.765 4.164 1.00 0.00 H new ATOM 132 N GLU A 10 24.012 3.729 6.123 1.00 0.00 N ATOM 133 CA GLU A 10 22.994 2.842 6.675 1.00 0.00 C ATOM 134 C GLU A 10 21.780 3.635 7.147 1.00 0.00 C ATOM 135 O GLU A 10 20.673 3.450 6.643 1.00 0.00 O ATOM 136 CB GLU A 10 23.577 2.046 7.842 1.00 0.00 C ATOM 137 CG GLU A 10 22.586 1.102 8.494 1.00 0.00 C ATOM 138 CD GLU A 10 22.186 -0.036 7.581 1.00 0.00 C ATOM 139 OE1 GLU A 10 21.190 0.103 6.843 1.00 0.00 O ATOM 140 OE2 GLU A 10 22.872 -1.078 7.594 1.00 0.00 O ATOM 0 H GLU A 10 24.924 3.646 6.572 1.00 0.00 H new ATOM 0 HA GLU A 10 22.674 2.156 5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.432 1.471 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 10 23.951 2.742 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.022 0.696 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.696 1.659 8.787 1.00 0.00 H new ATOM 147 N GLU A 11 22.003 4.521 8.109 1.00 0.00 N ATOM 148 CA GLU A 11 20.951 5.369 8.648 1.00 0.00 C ATOM 149 C GLU A 11 20.252 6.168 7.549 1.00 0.00 C ATOM 150 O GLU A 11 19.051 6.414 7.632 1.00 0.00 O ATOM 151 CB GLU A 11 21.525 6.314 9.701 1.00 0.00 C ATOM 152 CG GLU A 11 22.010 5.597 10.950 1.00 0.00 C ATOM 153 CD GLU A 11 20.871 5.088 11.811 1.00 0.00 C ATOM 154 OE1 GLU A 11 20.450 5.816 12.734 1.00 0.00 O ATOM 155 OE2 GLU A 11 20.390 3.961 11.570 1.00 0.00 O ATOM 0 H GLU A 11 22.917 4.671 8.536 1.00 0.00 H new ATOM 0 HA GLU A 11 20.207 4.721 9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.354 6.872 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.763 7.042 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.644 4.759 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.628 6.276 11.537 1.00 0.00 H new ATOM 162 N ARG A 12 20.999 6.559 6.515 1.00 0.00 N ATOM 163 CA ARG A 12 20.412 7.291 5.393 1.00 0.00 C ATOM 164 C ARG A 12 19.367 6.432 4.692 1.00 0.00 C ATOM 165 O ARG A 12 18.314 6.923 4.285 1.00 0.00 O ATOM 166 CB ARG A 12 21.480 7.731 4.384 1.00 0.00 C ATOM 167 CG ARG A 12 22.481 8.751 4.915 1.00 0.00 C ATOM 168 CD ARG A 12 21.807 10.024 5.409 1.00 0.00 C ATOM 169 NE ARG A 12 21.205 9.858 6.731 1.00 0.00 N ATOM 170 CZ ARG A 12 20.155 10.549 7.171 1.00 0.00 C ATOM 171 NH1 ARG A 12 19.567 11.446 6.389 1.00 0.00 N ATOM 172 NH2 ARG A 12 19.694 10.340 8.398 1.00 0.00 N ATOM 0 H ARG A 12 22.000 6.383 6.432 1.00 0.00 H new ATOM 0 HA ARG A 12 19.938 8.186 5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.025 6.850 4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.983 8.152 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 12 23.052 8.306 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 12 23.192 9.002 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 12 22.540 10.830 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 12 21.038 10.324 4.697 1.00 0.00 H new ATOM 0 HE ARG A 12 21.617 9.167 7.358 1.00 0.00 H new ATOM 0 HH11 ARG A 12 19.919 11.609 5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.763 11.972 6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 12 20.144 9.652 9.001 1.00 0.00 H new ATOM 0 HH22 ARG A 12 18.890 10.868 8.738 1.00 0.00 H new ATOM 186 N TYR A 13 19.663 5.146 4.565 1.00 0.00 N ATOM 187 CA TYR A 13 18.738 4.201 3.961 1.00 0.00 C ATOM 188 C TYR A 13 17.596 3.885 4.920 1.00 0.00 C ATOM 189 O TYR A 13 16.429 3.893 4.532 1.00 0.00 O ATOM 190 CB TYR A 13 19.477 2.917 3.568 1.00 0.00 C ATOM 191 CG TYR A 13 18.564 1.760 3.227 1.00 0.00 C ATOM 192 CD1 TYR A 13 18.525 0.629 4.033 1.00 0.00 C ATOM 193 CD2 TYR A 13 17.737 1.800 2.112 1.00 0.00 C ATOM 194 CE1 TYR A 13 17.689 -0.429 3.738 1.00 0.00 C ATOM 195 CE2 TYR A 13 16.897 0.745 1.810 1.00 0.00 C ATOM 196 CZ TYR A 13 16.876 -0.368 2.628 1.00 0.00 C ATOM 197 OH TYR A 13 16.038 -1.423 2.335 1.00 0.00 O ATOM 0 H TYR A 13 20.543 4.733 4.875 1.00 0.00 H new ATOM 0 HA TYR A 13 18.317 4.651 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.117 3.126 2.711 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.131 2.621 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.160 0.577 4.905 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.751 2.669 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 13 17.672 -1.301 4.375 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.260 0.790 0.939 1.00 0.00 H new ATOM 0 HH TYR A 13 15.531 -1.222 1.521 1.00 0.00 H new ATOM 207 N GLN A 14 17.945 3.614 6.171 1.00 0.00 N ATOM 208 CA GLN A 14 16.967 3.276 7.203 1.00 0.00 C ATOM 209 C GLN A 14 15.879 4.333 7.315 1.00 0.00 C ATOM 210 O GLN A 14 14.692 4.029 7.220 1.00 0.00 O ATOM 211 CB GLN A 14 17.657 3.133 8.554 1.00 0.00 C ATOM 212 CG GLN A 14 18.624 1.965 8.638 1.00 0.00 C ATOM 213 CD GLN A 14 17.935 0.611 8.588 1.00 0.00 C ATOM 214 OE1 GLN A 14 16.884 0.448 7.964 1.00 0.00 O ATOM 215 NE2 GLN A 14 18.516 -0.370 9.258 1.00 0.00 N ATOM 0 H GLN A 14 18.910 3.622 6.501 1.00 0.00 H new ATOM 0 HA GLN A 14 16.505 2.332 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.197 4.054 8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.897 3.018 9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.337 2.033 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.195 2.041 9.563 1.00 0.00 H new ATOM 0 HE21 GLN A 14 19.385 -0.198 9.763 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.095 -1.299 9.270 1.00 0.00 H new ATOM 224 N LYS A 15 16.291 5.573 7.530 1.00 0.00 N ATOM 225 CA LYS A 15 15.351 6.683 7.629 1.00 0.00 C ATOM 226 C LYS A 15 14.484 6.786 6.376 1.00 0.00 C ATOM 227 O LYS A 15 13.329 7.200 6.444 1.00 0.00 O ATOM 228 CB LYS A 15 16.083 8.010 7.854 1.00 0.00 C ATOM 229 CG LYS A 15 16.913 8.060 9.130 1.00 0.00 C ATOM 230 CD LYS A 15 16.056 7.961 10.381 1.00 0.00 C ATOM 231 CE LYS A 15 15.100 9.136 10.501 1.00 0.00 C ATOM 232 NZ LYS A 15 14.402 9.151 11.813 1.00 0.00 N ATOM 0 H LYS A 15 17.270 5.838 7.640 1.00 0.00 H new ATOM 0 HA LYS A 15 14.709 6.484 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.736 8.200 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.350 8.816 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.636 7.244 9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.481 8.990 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.489 7.031 10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.699 7.923 11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.652 10.067 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.364 9.088 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.759 9.968 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.855 8.274 11.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.103 9.222 12.578 1.00 0.00 H new ATOM 246 N LEU A 16 15.043 6.382 5.244 1.00 0.00 N ATOM 247 CA LEU A 16 14.345 6.460 3.971 1.00 0.00 C ATOM 248 C LEU A 16 13.212 5.448 3.906 1.00 0.00 C ATOM 249 O LEU A 16 12.088 5.776 3.517 1.00 0.00 O ATOM 250 CB LEU A 16 15.331 6.232 2.828 1.00 0.00 C ATOM 251 CG LEU A 16 14.828 6.628 1.445 1.00 0.00 C ATOM 252 CD1 LEU A 16 14.145 7.984 1.509 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.988 6.647 0.470 1.00 0.00 C ATOM 0 H LEU A 16 15.985 5.994 5.183 1.00 0.00 H new ATOM 0 HA LEU A 16 13.909 7.454 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.242 6.792 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.602 5.176 2.809 1.00 0.00 H new ATOM 0 HG LEU A 16 14.097 5.898 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.789 8.259 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 13.301 7.934 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.855 8.733 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.628 6.930 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.733 7.369 0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.439 5.656 0.422 1.00 0.00 H new ATOM 265 N VAL A 17 13.510 4.219 4.291 1.00 0.00 N ATOM 266 CA VAL A 17 12.495 3.174 4.348 1.00 0.00 C ATOM 267 C VAL A 17 11.469 3.533 5.407 1.00 0.00 C ATOM 268 O VAL A 17 10.289 3.214 5.285 1.00 0.00 O ATOM 269 CB VAL A 17 13.110 1.790 4.655 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.466 1.682 3.995 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.212 1.527 6.154 1.00 0.00 C ATOM 0 H VAL A 17 14.444 3.918 4.569 1.00 0.00 H new ATOM 0 HA VAL A 17 12.018 3.108 3.370 1.00 0.00 H new ATOM 0 HB VAL A 17 12.447 1.026 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.899 0.706 4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.356 1.799 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.121 2.463 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.650 0.543 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.842 2.288 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.217 1.562 6.598 1.00 0.00 H new ATOM 281 N THR A 18 11.943 4.229 6.429 1.00 0.00 N ATOM 282 CA THR A 18 11.108 4.716 7.483 1.00 0.00 C ATOM 283 C THR A 18 10.064 5.672 6.924 1.00 0.00 C ATOM 284 O THR A 18 8.868 5.483 7.141 1.00 0.00 O ATOM 285 CB THR A 18 11.982 5.413 8.536 1.00 0.00 C ATOM 286 OG1 THR A 18 12.576 4.448 9.412 1.00 0.00 O ATOM 287 CG2 THR A 18 11.190 6.424 9.319 1.00 0.00 C ATOM 0 H THR A 18 12.929 4.467 6.538 1.00 0.00 H new ATOM 0 HA THR A 18 10.584 3.884 7.953 1.00 0.00 H new ATOM 0 HB THR A 18 12.778 5.945 8.014 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.370 4.064 8.985 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.836 6.900 10.056 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.794 7.180 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.365 5.925 9.828 1.00 0.00 H new ATOM 295 N GLU A 19 10.531 6.675 6.177 1.00 0.00 N ATOM 296 CA GLU A 19 9.648 7.635 5.523 1.00 0.00 C ATOM 297 C GLU A 19 8.584 6.914 4.725 1.00 0.00 C ATOM 298 O GLU A 19 7.412 7.283 4.746 1.00 0.00 O ATOM 299 CB GLU A 19 10.445 8.549 4.591 1.00 0.00 C ATOM 300 CG GLU A 19 11.456 9.411 5.323 1.00 0.00 C ATOM 301 CD GLU A 19 12.103 10.438 4.420 1.00 0.00 C ATOM 302 OE1 GLU A 19 13.116 10.117 3.772 1.00 0.00 O ATOM 303 OE2 GLU A 19 11.598 11.579 4.360 1.00 0.00 O ATOM 0 H GLU A 19 11.524 6.841 6.011 1.00 0.00 H new ATOM 0 HA GLU A 19 9.173 8.238 6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.964 7.940 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.755 9.193 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.963 9.920 6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.228 8.773 5.754 1.00 0.00 H new ATOM 310 N ASN A 20 9.015 5.867 4.050 1.00 0.00 N ATOM 311 CA ASN A 20 8.147 5.073 3.208 1.00 0.00 C ATOM 312 C ASN A 20 7.059 4.375 4.010 1.00 0.00 C ATOM 313 O ASN A 20 5.880 4.602 3.775 1.00 0.00 O ATOM 314 CB ASN A 20 8.974 4.054 2.434 1.00 0.00 C ATOM 315 CG ASN A 20 9.497 4.615 1.137 1.00 0.00 C ATOM 316 OD1 ASN A 20 8.869 4.469 0.096 1.00 0.00 O ATOM 317 ND2 ASN A 20 10.640 5.278 1.191 1.00 0.00 N ATOM 0 H ASN A 20 9.982 5.543 4.071 1.00 0.00 H new ATOM 0 HA ASN A 20 7.650 5.746 2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.811 3.725 3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.364 3.174 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.030 5.691 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.131 5.376 2.080 1.00 0.00 H new ATOM 324 N GLU A 21 7.443 3.543 4.965 1.00 0.00 N ATOM 325 CA GLU A 21 6.475 2.746 5.707 1.00 0.00 C ATOM 326 C GLU A 21 5.412 3.614 6.385 1.00 0.00 C ATOM 327 O GLU A 21 4.271 3.180 6.557 1.00 0.00 O ATOM 328 CB GLU A 21 7.200 1.911 6.749 1.00 0.00 C ATOM 329 CG GLU A 21 8.284 1.046 6.151 1.00 0.00 C ATOM 330 CD GLU A 21 7.750 -0.230 5.539 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.932 -0.431 4.322 1.00 0.00 O ATOM 332 OE2 GLU A 21 7.146 -1.040 6.274 1.00 0.00 O ATOM 0 H GLU A 21 8.414 3.401 5.245 1.00 0.00 H new ATOM 0 HA GLU A 21 5.962 2.098 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.639 2.571 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.480 1.278 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.815 1.614 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.010 0.796 6.925 1.00 0.00 H new ATOM 339 N GLN A 22 5.786 4.836 6.766 1.00 0.00 N ATOM 340 CA GLN A 22 4.844 5.752 7.414 1.00 0.00 C ATOM 341 C GLN A 22 3.661 6.031 6.505 1.00 0.00 C ATOM 342 O GLN A 22 2.521 5.685 6.817 1.00 0.00 O ATOM 343 CB GLN A 22 5.493 7.096 7.758 1.00 0.00 C ATOM 344 CG GLN A 22 6.825 6.990 8.482 1.00 0.00 C ATOM 345 CD GLN A 22 7.444 8.347 8.751 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.237 9.297 7.999 1.00 0.00 O ATOM 347 NE2 GLN A 22 8.203 8.451 9.828 1.00 0.00 N ATOM 0 H GLN A 22 6.725 5.213 6.639 1.00 0.00 H new ATOM 0 HA GLN A 22 4.521 5.262 8.332 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.639 7.660 6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.803 7.670 8.377 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.682 6.465 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.513 6.391 7.886 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.351 7.639 10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.641 9.343 10.059 1.00 0.00 H new ATOM 356 N LEU A 23 3.940 6.653 5.366 1.00 0.00 N ATOM 357 CA LEU A 23 2.887 7.099 4.480 1.00 0.00 C ATOM 358 C LEU A 23 2.332 5.939 3.658 1.00 0.00 C ATOM 359 O LEU A 23 1.229 6.025 3.129 1.00 0.00 O ATOM 360 CB LEU A 23 3.362 8.288 3.623 1.00 0.00 C ATOM 361 CG LEU A 23 4.132 8.001 2.329 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.575 9.311 1.704 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.336 7.119 2.567 1.00 0.00 C ATOM 0 H LEU A 23 4.885 6.857 5.040 1.00 0.00 H new ATOM 0 HA LEU A 23 2.053 7.467 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.484 8.878 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.993 8.917 4.251 1.00 0.00 H new ATOM 0 HG LEU A 23 3.462 7.467 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.123 9.108 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.700 9.921 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.221 9.846 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.850 6.943 1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.015 7.611 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.012 6.167 2.987 1.00 0.00 H new ATOM 375 N GLN A 24 3.094 4.847 3.578 1.00 0.00 N ATOM 376 CA GLN A 24 2.571 3.579 3.069 1.00 0.00 C ATOM 377 C GLN A 24 1.323 3.184 3.847 1.00 0.00 C ATOM 378 O GLN A 24 0.301 2.804 3.272 1.00 0.00 O ATOM 379 CB GLN A 24 3.612 2.473 3.210 1.00 0.00 C ATOM 380 CG GLN A 24 4.697 2.497 2.170 1.00 0.00 C ATOM 381 CD GLN A 24 5.575 1.274 2.247 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.136 0.194 2.639 1.00 0.00 O ATOM 383 NE2 GLN A 24 6.816 1.437 1.866 1.00 0.00 N ATOM 0 H GLN A 24 4.074 4.815 3.859 1.00 0.00 H new ATOM 0 HA GLN A 24 2.327 3.710 2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.071 2.548 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 24 3.106 1.508 3.166 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.249 2.560 1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.307 3.391 2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.136 2.352 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.464 0.649 1.887 1.00 0.00 H new ATOM 392 N ARG A 25 1.424 3.296 5.165 1.00 0.00 N ATOM 393 CA ARG A 25 0.329 3.000 6.060 1.00 0.00 C ATOM 394 C ARG A 25 -0.810 3.984 5.830 1.00 0.00 C ATOM 395 O ARG A 25 -1.969 3.598 5.724 1.00 0.00 O ATOM 396 CB ARG A 25 0.841 3.085 7.500 1.00 0.00 C ATOM 397 CG ARG A 25 -0.163 3.658 8.472 1.00 0.00 C ATOM 398 CD ARG A 25 0.525 4.252 9.693 1.00 0.00 C ATOM 399 NE ARG A 25 -0.435 4.740 10.683 1.00 0.00 N ATOM 400 CZ ARG A 25 -0.198 5.752 11.519 1.00 0.00 C ATOM 401 NH1 ARG A 25 0.971 6.382 11.497 1.00 0.00 N ATOM 402 NH2 ARG A 25 -1.125 6.126 12.391 1.00 0.00 N ATOM 0 H ARG A 25 2.275 3.597 5.639 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.052 1.996 5.872 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.127 2.087 7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.742 3.698 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.755 4.427 7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.855 2.877 8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.165 3.498 10.151 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.172 5.072 9.381 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.342 4.277 10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.694 6.093 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.146 7.155 12.139 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.021 5.639 12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.942 6.900 13.029 1.00 0.00 H new ATOM 416 N LEU A 26 -0.449 5.255 5.727 1.00 0.00 N ATOM 417 CA LEU A 26 -1.413 6.335 5.557 1.00 0.00 C ATOM 418 C LEU A 26 -2.216 6.142 4.276 1.00 0.00 C ATOM 419 O LEU A 26 -3.429 6.364 4.252 1.00 0.00 O ATOM 420 CB LEU A 26 -0.665 7.669 5.558 1.00 0.00 C ATOM 421 CG LEU A 26 0.221 7.867 6.794 1.00 0.00 C ATOM 422 CD1 LEU A 26 1.021 9.157 6.712 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.621 7.836 8.061 1.00 0.00 C ATOM 0 H LEU A 26 0.521 5.568 5.759 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.125 6.330 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.047 7.731 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.388 8.483 5.504 1.00 0.00 H new ATOM 0 HG LEU A 26 0.934 7.043 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.636 9.261 7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.662 9.132 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.339 10.004 6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.023 7.978 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.363 8.634 8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.127 6.874 8.138 1.00 0.00 H new ATOM 435 N ILE A 27 -1.531 5.708 3.225 1.00 0.00 N ATOM 436 CA ILE A 27 -2.184 5.308 1.989 1.00 0.00 C ATOM 437 C ILE A 27 -3.146 4.162 2.254 1.00 0.00 C ATOM 438 O ILE A 27 -4.334 4.246 1.948 1.00 0.00 O ATOM 439 CB ILE A 27 -1.152 4.846 0.940 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.277 6.012 0.500 1.00 0.00 C ATOM 441 CG2 ILE A 27 -1.838 4.210 -0.263 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.855 5.585 -0.401 1.00 0.00 C ATOM 0 H ILE A 27 -0.515 5.624 3.207 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.724 6.174 1.606 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.517 4.091 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.892 6.746 -0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.132 6.506 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.086 3.894 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.415 3.344 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.505 4.936 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.445 6.457 -0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.490 4.872 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.449 5.116 -1.298 1.00 0.00 H new ATOM 454 N THR A 28 -2.612 3.102 2.849 1.00 0.00 N ATOM 455 CA THR A 28 -3.366 1.882 3.103 1.00 0.00 C ATOM 456 C THR A 28 -4.669 2.143 3.879 1.00 0.00 C ATOM 457 O THR A 28 -5.679 1.490 3.616 1.00 0.00 O ATOM 458 CB THR A 28 -2.485 0.832 3.832 1.00 0.00 C ATOM 459 OG1 THR A 28 -2.523 -0.412 3.123 1.00 0.00 O ATOM 460 CG2 THR A 28 -2.928 0.602 5.273 1.00 0.00 C ATOM 0 H THR A 28 -1.644 3.065 3.169 1.00 0.00 H new ATOM 0 HA THR A 28 -3.656 1.480 2.132 1.00 0.00 H new ATOM 0 HB THR A 28 -1.469 1.226 3.855 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.964 -1.070 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.280 -0.141 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.864 1.538 5.827 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.957 0.244 5.284 1.00 0.00 H new ATOM 468 N GLN A 29 -4.652 3.101 4.815 1.00 0.00 N ATOM 469 CA GLN A 29 -5.852 3.429 5.590 1.00 0.00 C ATOM 470 C GLN A 29 -6.948 3.903 4.657 1.00 0.00 C ATOM 471 O GLN A 29 -8.086 3.432 4.693 1.00 0.00 O ATOM 472 CB GLN A 29 -5.588 4.552 6.599 1.00 0.00 C ATOM 473 CG GLN A 29 -4.257 4.468 7.308 1.00 0.00 C ATOM 474 CD GLN A 29 -4.123 5.498 8.409 1.00 0.00 C ATOM 475 OE1 GLN A 29 -3.686 6.620 8.166 1.00 0.00 O ATOM 476 NE2 GLN A 29 -4.490 5.125 9.623 1.00 0.00 N ATOM 0 H GLN A 29 -3.829 3.656 5.051 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.146 2.526 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.647 5.509 6.080 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.382 4.545 7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.136 3.471 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.454 4.607 6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.848 4.183 9.781 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.415 5.779 10.402 1.00 0.00 H new ATOM 485 N LYS A 30 -6.571 4.846 3.821 1.00 0.00 N ATOM 486 CA LYS A 30 -7.504 5.496 2.919 1.00 0.00 C ATOM 487 C LYS A 30 -7.895 4.568 1.775 1.00 0.00 C ATOM 488 O LYS A 30 -9.060 4.502 1.401 1.00 0.00 O ATOM 489 CB LYS A 30 -6.893 6.787 2.375 1.00 0.00 C ATOM 490 CG LYS A 30 -6.385 7.726 3.462 1.00 0.00 C ATOM 491 CD LYS A 30 -7.442 7.974 4.531 1.00 0.00 C ATOM 492 CE LYS A 30 -6.984 9.009 5.547 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.795 8.558 6.316 1.00 0.00 N ATOM 0 H LYS A 30 -5.612 5.185 3.745 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.408 5.740 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.068 6.536 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.640 7.308 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.494 7.301 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.090 8.675 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.365 8.311 4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.669 7.038 5.042 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.749 9.941 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.800 9.223 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.572 9.258 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.997 7.640 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.983 8.460 5.674 1.00 0.00 H new ATOM 507 N GLU A 31 -6.920 3.840 1.244 1.00 0.00 N ATOM 508 CA GLU A 31 -7.140 2.970 0.094 1.00 0.00 C ATOM 509 C GLU A 31 -8.219 1.923 0.339 1.00 0.00 C ATOM 510 O GLU A 31 -9.051 1.689 -0.534 1.00 0.00 O ATOM 511 CB GLU A 31 -5.836 2.298 -0.318 1.00 0.00 C ATOM 512 CG GLU A 31 -5.016 3.140 -1.275 1.00 0.00 C ATOM 513 CD GLU A 31 -5.659 3.237 -2.645 1.00 0.00 C ATOM 514 OE1 GLU A 31 -5.174 2.567 -3.579 1.00 0.00 O ATOM 515 OE2 GLU A 31 -6.663 3.965 -2.794 1.00 0.00 O ATOM 0 H GLU A 31 -5.962 3.835 1.594 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.496 3.605 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.244 2.088 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.059 1.339 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.892 4.141 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.019 2.710 -1.373 1.00 0.00 H new ATOM 522 N GLU A 32 -8.217 1.295 1.510 1.00 0.00 N ATOM 523 CA GLU A 32 -9.228 0.288 1.815 1.00 0.00 C ATOM 524 C GLU A 32 -10.609 0.927 1.932 1.00 0.00 C ATOM 525 O GLU A 32 -11.617 0.321 1.569 1.00 0.00 O ATOM 526 CB GLU A 32 -8.878 -0.488 3.088 1.00 0.00 C ATOM 527 CG GLU A 32 -8.496 0.388 4.268 1.00 0.00 C ATOM 528 CD GLU A 32 -8.369 -0.395 5.555 1.00 0.00 C ATOM 529 OE1 GLU A 32 -9.208 -0.199 6.455 1.00 0.00 O ATOM 530 OE2 GLU A 32 -7.436 -1.216 5.676 1.00 0.00 O ATOM 0 H GLU A 32 -7.538 1.461 2.253 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.248 -0.423 0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.731 -1.105 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.052 -1.166 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.550 0.886 4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.246 1.169 4.394 1.00 0.00 H new ATOM 537 N LYS A 33 -10.650 2.162 2.411 1.00 0.00 N ATOM 538 CA LYS A 33 -11.905 2.894 2.508 1.00 0.00 C ATOM 539 C LYS A 33 -12.372 3.337 1.126 1.00 0.00 C ATOM 540 O LYS A 33 -13.543 3.184 0.774 1.00 0.00 O ATOM 541 CB LYS A 33 -11.743 4.105 3.430 1.00 0.00 C ATOM 542 CG LYS A 33 -11.374 3.732 4.856 1.00 0.00 C ATOM 543 CD LYS A 33 -12.482 2.946 5.540 1.00 0.00 C ATOM 544 CE LYS A 33 -13.679 3.827 5.864 1.00 0.00 C ATOM 545 NZ LYS A 33 -13.337 4.860 6.872 1.00 0.00 N ATOM 0 H LYS A 33 -9.832 2.677 2.737 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.661 2.232 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.974 4.762 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.674 4.672 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.458 3.140 4.851 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.166 4.637 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.798 2.126 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.099 2.501 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.034 4.309 4.953 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.496 3.210 6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -14.209 5.224 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.733 4.441 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.828 5.641 6.410 1.00 0.00 H new ATOM 559 N ILE A 34 -11.445 3.869 0.341 1.00 0.00 N ATOM 560 CA ILE A 34 -11.741 4.296 -1.017 1.00 0.00 C ATOM 561 C ILE A 34 -12.122 3.097 -1.879 1.00 0.00 C ATOM 562 O ILE A 34 -12.930 3.216 -2.794 1.00 0.00 O ATOM 563 CB ILE A 34 -10.545 5.031 -1.662 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.211 6.292 -0.871 1.00 0.00 C ATOM 565 CG2 ILE A 34 -10.861 5.374 -3.109 1.00 0.00 C ATOM 566 CD1 ILE A 34 -8.837 6.854 -1.178 1.00 0.00 C ATOM 0 H ILE A 34 -10.476 4.015 0.625 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.579 4.991 -0.961 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.675 4.374 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.962 7.053 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.274 6.070 0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.011 5.892 -3.554 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.059 4.458 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.739 6.019 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.668 7.749 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.078 6.109 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.776 7.108 -2.236 1.00 0.00 H new ATOM 578 N ARG A 35 -11.534 1.947 -1.572 1.00 0.00 N ATOM 579 CA ARG A 35 -11.803 0.713 -2.267 1.00 0.00 C ATOM 580 C ARG A 35 -13.296 0.422 -2.310 1.00 0.00 C ATOM 581 O ARG A 35 -13.835 0.035 -3.345 1.00 0.00 O ATOM 582 CB ARG A 35 -11.073 -0.412 -1.549 1.00 0.00 C ATOM 583 CG ARG A 35 -10.630 -1.498 -2.482 1.00 0.00 C ATOM 584 CD ARG A 35 -9.936 -2.632 -1.747 1.00 0.00 C ATOM 585 NE ARG A 35 -9.549 -3.711 -2.656 1.00 0.00 N ATOM 586 CZ ARG A 35 -8.427 -4.422 -2.544 1.00 0.00 C ATOM 587 NH1 ARG A 35 -7.574 -4.184 -1.552 1.00 0.00 N ATOM 588 NH2 ARG A 35 -8.161 -5.378 -3.424 1.00 0.00 N ATOM 0 H ARG A 35 -10.849 1.854 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.453 0.796 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.204 -0.005 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.727 -0.837 -0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.494 -1.889 -3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.953 -1.081 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.051 -2.249 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.599 -3.026 -0.977 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.179 -3.934 -3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.776 -3.453 -0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.718 -4.732 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.814 -5.568 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.303 -5.924 -3.341 1.00 0.00 H new ATOM 602 N VAL A 36 -13.955 0.624 -1.181 1.00 0.00 N ATOM 603 CA VAL A 36 -15.391 0.414 -1.092 1.00 0.00 C ATOM 604 C VAL A 36 -16.129 1.441 -1.950 1.00 0.00 C ATOM 605 O VAL A 36 -17.098 1.120 -2.639 1.00 0.00 O ATOM 606 CB VAL A 36 -15.878 0.517 0.362 1.00 0.00 C ATOM 607 CG1 VAL A 36 -17.302 0.003 0.475 1.00 0.00 C ATOM 608 CG2 VAL A 36 -14.945 -0.244 1.293 1.00 0.00 C ATOM 0 H VAL A 36 -13.518 0.933 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.604 -0.590 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.869 1.565 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.636 0.081 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.955 0.598 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.339 -1.040 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.306 -0.160 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.919 -1.294 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -13.942 0.176 1.226 1.00 0.00 H new ATOM 618 N LEU A 37 -15.641 2.674 -1.914 1.00 0.00 N ATOM 619 CA LEU A 37 -16.192 3.752 -2.729 1.00 0.00 C ATOM 620 C LEU A 37 -15.994 3.454 -4.209 1.00 0.00 C ATOM 621 O LEU A 37 -16.832 3.797 -5.034 1.00 0.00 O ATOM 622 CB LEU A 37 -15.533 5.088 -2.359 1.00 0.00 C ATOM 623 CG LEU A 37 -16.211 5.874 -1.227 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.444 6.609 -1.737 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.590 4.950 -0.079 1.00 0.00 C ATOM 0 H LEU A 37 -14.858 2.955 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 37 -17.262 3.825 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.499 4.895 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.506 5.718 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.497 6.611 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.906 7.158 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.153 7.307 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.157 5.889 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.069 5.529 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.280 4.187 -0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.693 4.472 0.314 1.00 0.00 H new ATOM 637 N ARG A 38 -14.884 2.800 -4.528 1.00 0.00 N ATOM 638 CA ARG A 38 -14.599 2.383 -5.898 1.00 0.00 C ATOM 639 C ARG A 38 -15.690 1.458 -6.413 1.00 0.00 C ATOM 640 O ARG A 38 -16.199 1.644 -7.513 1.00 0.00 O ATOM 641 CB ARG A 38 -13.242 1.680 -5.983 1.00 0.00 C ATOM 642 CG ARG A 38 -12.054 2.611 -5.808 1.00 0.00 C ATOM 643 CD ARG A 38 -11.992 3.640 -6.923 1.00 0.00 C ATOM 644 NE ARG A 38 -11.893 3.011 -8.240 1.00 0.00 N ATOM 645 CZ ARG A 38 -12.268 3.592 -9.378 1.00 0.00 C ATOM 646 NH1 ARG A 38 -12.740 4.833 -9.374 1.00 0.00 N ATOM 647 NH2 ARG A 38 -12.158 2.931 -10.524 1.00 0.00 N ATOM 0 H ARG A 38 -14.162 2.545 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.569 3.278 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -13.198 0.903 -5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.162 1.182 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.125 3.118 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.132 2.030 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.882 4.269 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.133 4.293 -6.767 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.512 2.066 -8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.817 5.347 -8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.026 5.273 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.787 1.981 -10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.444 3.373 -11.397 1.00 0.00 H new ATOM 661 N GLN A 39 -16.053 0.475 -5.595 1.00 0.00 N ATOM 662 CA GLN A 39 -17.110 -0.472 -5.939 1.00 0.00 C ATOM 663 C GLN A 39 -18.437 0.256 -6.101 1.00 0.00 C ATOM 664 O GLN A 39 -19.276 -0.122 -6.917 1.00 0.00 O ATOM 665 CB GLN A 39 -17.243 -1.538 -4.852 1.00 0.00 C ATOM 666 CG GLN A 39 -15.911 -2.090 -4.374 1.00 0.00 C ATOM 667 CD GLN A 39 -15.130 -2.822 -5.455 1.00 0.00 C ATOM 668 OE1 GLN A 39 -13.898 -2.815 -5.453 1.00 0.00 O ATOM 669 NE2 GLN A 39 -15.827 -3.469 -6.376 1.00 0.00 N ATOM 0 H GLN A 39 -15.627 0.312 -4.682 1.00 0.00 H new ATOM 0 HA GLN A 39 -16.847 -0.953 -6.881 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.777 -1.113 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -17.851 -2.359 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.304 -1.270 -3.992 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.087 -2.771 -3.541 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.847 -3.454 -6.348 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.344 -3.982 -7.114 1.00 0.00 H new ATOM 678 N ARG A 40 -18.619 1.302 -5.311 1.00 0.00 N ATOM 679 CA ARG A 40 -19.792 2.145 -5.420 1.00 0.00 C ATOM 680 C ARG A 40 -19.794 2.903 -6.741 1.00 0.00 C ATOM 681 O ARG A 40 -20.825 3.020 -7.400 1.00 0.00 O ATOM 682 CB ARG A 40 -19.842 3.122 -4.256 1.00 0.00 C ATOM 683 CG ARG A 40 -20.289 2.482 -2.953 1.00 0.00 C ATOM 684 CD ARG A 40 -20.463 3.513 -1.853 1.00 0.00 C ATOM 685 NE ARG A 40 -21.440 4.540 -2.215 1.00 0.00 N ATOM 686 CZ ARG A 40 -22.519 4.839 -1.491 1.00 0.00 C ATOM 687 NH1 ARG A 40 -22.819 4.133 -0.406 1.00 0.00 N ATOM 688 NH2 ARG A 40 -23.310 5.835 -1.870 1.00 0.00 N ATOM 0 H ARG A 40 -17.963 1.586 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 40 -20.676 1.508 -5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.854 3.561 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -20.521 3.937 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -21.230 1.955 -3.110 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.555 1.738 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.782 3.016 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.503 3.984 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.286 5.062 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.222 3.356 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.646 4.368 0.143 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.091 6.368 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -24.137 6.068 -1.320 1.00 0.00 H new ATOM 702 N LEU A 41 -18.636 3.416 -7.133 1.00 0.00 N ATOM 703 CA LEU A 41 -18.521 4.102 -8.412 1.00 0.00 C ATOM 704 C LEU A 41 -18.539 3.094 -9.557 1.00 0.00 C ATOM 705 O LEU A 41 -18.719 3.461 -10.713 1.00 0.00 O ATOM 706 CB LEU A 41 -17.255 4.951 -8.509 1.00 0.00 C ATOM 707 CG LEU A 41 -16.836 5.697 -7.241 1.00 0.00 C ATOM 708 CD1 LEU A 41 -15.588 6.520 -7.506 1.00 0.00 C ATOM 709 CD2 LEU A 41 -17.958 6.584 -6.724 1.00 0.00 C ATOM 0 H LEU A 41 -17.773 3.371 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 41 -19.378 4.771 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.432 4.303 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -17.395 5.682 -9.305 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.616 4.957 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.299 7.046 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.777 5.861 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -15.790 7.244 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -17.628 7.100 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -18.222 7.318 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -18.829 5.971 -6.493 1.00 0.00 H new ATOM 721 N VAL A 42 -18.323 1.827 -9.241 1.00 0.00 N ATOM 722 CA VAL A 42 -18.539 0.760 -10.207 1.00 0.00 C ATOM 723 C VAL A 42 -20.006 0.746 -10.615 1.00 0.00 C ATOM 724 O VAL A 42 -20.349 0.529 -11.776 1.00 0.00 O ATOM 725 CB VAL A 42 -18.147 -0.618 -9.626 1.00 0.00 C ATOM 726 CG1 VAL A 42 -18.674 -1.743 -10.496 1.00 0.00 C ATOM 727 CG2 VAL A 42 -16.639 -0.731 -9.459 1.00 0.00 C ATOM 0 H VAL A 42 -17.999 1.512 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 42 -17.907 0.948 -11.075 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.605 -0.706 -8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.385 -2.702 -10.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.761 -1.683 -10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -18.255 -1.654 -11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.391 -1.710 -9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -16.156 -0.611 -10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.289 0.046 -8.780 1.00 0.00 H new ATOM 737 N GLU A 43 -20.860 1.019 -9.642 1.00 0.00 N ATOM 738 CA GLU A 43 -22.293 1.093 -9.865 1.00 0.00 C ATOM 739 C GLU A 43 -22.640 2.341 -10.670 1.00 0.00 C ATOM 740 O GLU A 43 -23.647 2.374 -11.374 1.00 0.00 O ATOM 741 CB GLU A 43 -23.026 1.099 -8.525 1.00 0.00 C ATOM 742 CG GLU A 43 -22.676 -0.092 -7.651 1.00 0.00 C ATOM 743 CD GLU A 43 -23.278 -0.005 -6.266 1.00 0.00 C ATOM 744 OE1 GLU A 43 -22.648 0.594 -5.371 1.00 0.00 O ATOM 745 OE2 GLU A 43 -24.381 -0.548 -6.058 1.00 0.00 O ATOM 0 H GLU A 43 -20.579 1.195 -8.677 1.00 0.00 H new ATOM 0 HA GLU A 43 -22.609 0.219 -10.435 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -22.786 2.018 -7.990 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.101 1.107 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -23.022 -1.005 -8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -21.592 -0.167 -7.566 1.00 0.00 H new ATOM 752 N ARG A 44 -21.795 3.362 -10.572 1.00 0.00 N ATOM 753 CA ARG A 44 -21.987 4.575 -11.346 1.00 0.00 C ATOM 754 C ARG A 44 -21.448 4.369 -12.760 1.00 0.00 C ATOM 755 O ARG A 44 -22.012 4.859 -13.736 1.00 0.00 O ATOM 756 CB ARG A 44 -21.311 5.780 -10.671 1.00 0.00 C ATOM 757 CG ARG A 44 -19.935 6.078 -11.190 1.00 0.00 C ATOM 758 CD ARG A 44 -19.571 7.551 -11.046 1.00 0.00 C ATOM 759 NE ARG A 44 -19.689 8.034 -9.668 1.00 0.00 N ATOM 760 CZ ARG A 44 -19.036 9.099 -9.198 1.00 0.00 C ATOM 761 NH1 ARG A 44 -18.198 9.770 -9.979 1.00 0.00 N ATOM 762 NH2 ARG A 44 -19.219 9.491 -7.945 1.00 0.00 N ATOM 0 H ARG A 44 -20.975 3.370 -9.966 1.00 0.00 H new ATOM 0 HA ARG A 44 -23.054 4.791 -11.399 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -21.939 6.660 -10.809 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -21.252 5.596 -9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.207 5.471 -10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.875 5.792 -12.240 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.549 7.703 -11.393 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.219 8.145 -11.691 1.00 0.00 H new ATOM 0 HE ARG A 44 -20.305 7.528 -9.032 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.051 9.472 -10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.702 10.583 -9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.859 8.979 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.719 10.305 -7.587 1.00 0.00 H new ATOM 776 N GLY A 45 -20.358 3.624 -12.848 1.00 0.00 N ATOM 777 CA GLY A 45 -19.752 3.307 -14.126 1.00 0.00 C ATOM 778 C GLY A 45 -18.406 3.981 -14.314 1.00 0.00 C ATOM 779 O GLY A 45 -17.937 4.151 -15.438 1.00 0.00 O ATOM 0 H GLY A 45 -19.874 3.227 -12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.629 2.227 -14.208 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.423 3.613 -14.929 1.00 0.00 H new ATOM 783 N ASP A 46 -17.769 4.347 -13.205 1.00 0.00 N ATOM 784 CA ASP A 46 -16.497 5.067 -13.253 1.00 0.00 C ATOM 785 C ASP A 46 -15.365 4.147 -13.691 1.00 0.00 C ATOM 786 O ASP A 46 -14.410 4.582 -14.337 1.00 0.00 O ATOM 787 CB ASP A 46 -16.175 5.672 -11.884 1.00 0.00 C ATOM 788 CG ASP A 46 -14.895 6.489 -11.887 1.00 0.00 C ATOM 789 OD1 ASP A 46 -13.828 5.944 -11.529 1.00 0.00 O ATOM 790 OD2 ASP A 46 -14.951 7.689 -12.229 1.00 0.00 O ATOM 0 H ASP A 46 -18.111 4.158 -12.263 1.00 0.00 H new ATOM 0 HA ASP A 46 -16.593 5.869 -13.985 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -17.004 6.305 -11.568 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.088 4.871 -11.150 1.00 0.00 H new ATOM 795 N ALA A 47 -15.487 2.869 -13.357 1.00 0.00 N ATOM 796 CA ALA A 47 -14.468 1.894 -13.714 1.00 0.00 C ATOM 797 C ALA A 47 -14.459 1.662 -15.218 1.00 0.00 C ATOM 798 O ALA A 47 -13.401 1.542 -15.832 1.00 0.00 O ATOM 799 CB ALA A 47 -14.690 0.587 -12.967 1.00 0.00 C ATOM 0 H ALA A 47 -16.279 2.485 -12.841 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.495 2.289 -13.422 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.917 -0.129 -13.248 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.643 0.769 -11.893 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.669 0.183 -13.224 1.00 0.00 H new ATOM 805 N LYS A 48 -15.645 1.626 -15.812 1.00 0.00 N ATOM 806 CA LYS A 48 -15.769 1.458 -17.252 1.00 0.00 C ATOM 807 C LYS A 48 -15.417 2.762 -17.960 1.00 0.00 C ATOM 808 O LYS A 48 -15.028 2.769 -19.127 1.00 0.00 O ATOM 809 CB LYS A 48 -17.186 1.017 -17.624 1.00 0.00 C ATOM 810 CG LYS A 48 -17.304 0.531 -19.058 1.00 0.00 C ATOM 811 CD LYS A 48 -16.455 -0.709 -19.293 1.00 0.00 C ATOM 812 CE LYS A 48 -16.417 -1.089 -20.756 1.00 0.00 C ATOM 813 NZ LYS A 48 -15.621 -2.323 -20.991 1.00 0.00 N ATOM 0 H LYS A 48 -16.533 1.711 -15.318 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.075 0.682 -17.573 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.500 0.220 -16.950 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -17.871 1.851 -17.472 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.347 0.309 -19.284 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.992 1.323 -19.739 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.441 -0.529 -18.937 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.854 -1.540 -18.711 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.434 -1.239 -21.118 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.991 -0.268 -21.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.621 -2.548 -22.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.643 -2.172 -20.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.041 -3.113 -20.462 1.00 0.00 H new ATOM 827 N GLY A 49 -15.544 3.866 -17.234 1.00 0.00 N ATOM 828 CA GLY A 49 -15.168 5.163 -17.763 1.00 0.00 C ATOM 829 C GLY A 49 -13.684 5.429 -17.607 1.00 0.00 C ATOM 830 O GLY A 49 -13.237 6.575 -17.670 1.00 0.00 O ATOM 0 H GLY A 49 -15.904 3.885 -16.280 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.437 5.217 -18.818 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.732 5.942 -17.250 1.00 0.00 H new ATOM 834 N THR A 50 -12.927 4.366 -17.389 1.00 0.00 N ATOM 835 CA THR A 50 -11.484 4.446 -17.268 1.00 0.00 C ATOM 836 C THR A 50 -10.847 3.459 -18.240 1.00 0.00 C ATOM 837 O THR A 50 -10.839 2.251 -17.994 1.00 0.00 O ATOM 838 CB THR A 50 -11.035 4.124 -15.829 1.00 0.00 C ATOM 839 OG1 THR A 50 -11.785 4.919 -14.898 1.00 0.00 O ATOM 840 CG2 THR A 50 -9.548 4.388 -15.646 1.00 0.00 C ATOM 0 H THR A 50 -13.299 3.421 -17.291 1.00 0.00 H new ATOM 0 HA THR A 50 -11.166 5.461 -17.505 1.00 0.00 H new ATOM 0 HB THR A 50 -11.220 3.066 -15.643 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.663 4.509 -14.751 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.260 4.152 -14.622 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.980 3.764 -16.336 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.337 5.438 -15.850 1.00 0.00 H new ATOM 848 N GLU A 51 -10.350 3.967 -19.357 1.00 0.00 N ATOM 849 CA GLU A 51 -9.808 3.105 -20.397 1.00 0.00 C ATOM 850 C GLU A 51 -8.465 2.503 -20.008 1.00 0.00 C ATOM 851 O GLU A 51 -7.569 3.180 -19.514 1.00 0.00 O ATOM 852 CB GLU A 51 -9.728 3.830 -21.753 1.00 0.00 C ATOM 853 CG GLU A 51 -9.319 5.298 -21.697 1.00 0.00 C ATOM 854 CD GLU A 51 -7.877 5.522 -21.287 1.00 0.00 C ATOM 855 OE1 GLU A 51 -7.642 6.037 -20.174 1.00 0.00 O ATOM 856 OE2 GLU A 51 -6.969 5.193 -22.079 1.00 0.00 O ATOM 0 H GLU A 51 -10.310 4.964 -19.566 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.506 2.275 -20.508 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.018 3.298 -22.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.702 3.762 -22.238 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.481 5.747 -22.677 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.970 5.819 -20.996 1.00 0.00 H new ATOM 863 N LEU A 52 -8.370 1.199 -20.199 1.00 0.00 N ATOM 864 CA LEU A 52 -7.150 0.449 -19.942 1.00 0.00 C ATOM 865 C LEU A 52 -6.987 -0.600 -21.032 1.00 0.00 C ATOM 866 O LEU A 52 -6.234 -1.566 -20.897 1.00 0.00 O ATOM 867 CB LEU A 52 -7.237 -0.209 -18.565 1.00 0.00 C ATOM 868 CG LEU A 52 -7.459 0.770 -17.411 1.00 0.00 C ATOM 869 CD1 LEU A 52 -8.160 0.084 -16.256 1.00 0.00 C ATOM 870 CD2 LEU A 52 -6.135 1.367 -16.955 1.00 0.00 C ATOM 0 H LEU A 52 -9.142 0.625 -20.539 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.285 1.112 -19.951 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.051 -0.934 -18.573 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.317 -0.765 -18.382 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.097 1.579 -17.766 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.309 0.797 -15.445 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.127 -0.293 -16.589 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.549 -0.746 -15.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.313 2.061 -16.133 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.473 0.569 -16.619 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.671 1.899 -17.785 1.00 0.00 H new ATOM 882 N ASN A 53 -7.711 -0.378 -22.116 1.00 0.00 N ATOM 883 CA ASN A 53 -7.779 -1.308 -23.229 1.00 0.00 C ATOM 884 C ASN A 53 -8.248 -0.560 -24.471 1.00 0.00 C ATOM 885 O ASN A 53 -8.633 0.607 -24.384 1.00 0.00 O ATOM 886 CB ASN A 53 -8.753 -2.453 -22.917 1.00 0.00 C ATOM 887 CG ASN A 53 -10.193 -1.983 -22.780 1.00 0.00 C ATOM 888 OD1 ASN A 53 -10.463 -0.869 -22.325 1.00 0.00 O ATOM 889 ND2 ASN A 53 -11.129 -2.827 -23.180 1.00 0.00 N ATOM 0 H ASN A 53 -8.274 0.462 -22.249 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.790 -1.734 -23.400 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.693 -3.200 -23.709 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.446 -2.943 -21.993 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.113 -2.565 -23.117 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.867 -3.740 -23.551 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 11.211 -1.218 -22.413 1.00 0.00 N ATOM 898 CA GLY B 84 11.696 -0.732 -21.139 1.00 0.00 C ATOM 899 C GLY B 84 13.048 -0.060 -21.265 1.00 0.00 C ATOM 900 O GLY B 84 13.512 0.194 -22.379 1.00 0.00 O ATOM 0 HA2 GLY B 84 10.977 -0.026 -20.723 1.00 0.00 H new ATOM 0 HA3 GLY B 84 11.768 -1.563 -20.438 1.00 0.00 H new ATOM 904 N PRO B 85 13.708 0.235 -20.137 1.00 0.00 N ATOM 905 CA PRO B 85 14.997 0.919 -20.129 1.00 0.00 C ATOM 906 C PRO B 85 16.163 -0.027 -20.398 1.00 0.00 C ATOM 907 O PRO B 85 15.958 -1.187 -20.762 1.00 0.00 O ATOM 908 CB PRO B 85 15.072 1.477 -18.710 1.00 0.00 C ATOM 909 CG PRO B 85 14.355 0.465 -17.889 1.00 0.00 C ATOM 910 CD PRO B 85 13.253 -0.081 -18.767 1.00 0.00 C ATOM 0 HA PRO B 85 15.070 1.675 -20.911 1.00 0.00 H new ATOM 0 HB2 PRO B 85 16.105 1.598 -18.382 1.00 0.00 H new ATOM 0 HB3 PRO B 85 14.598 2.456 -18.640 1.00 0.00 H new ATOM 0 HG2 PRO B 85 15.031 -0.329 -17.572 1.00 0.00 H new ATOM 0 HG3 PRO B 85 13.946 0.915 -16.985 1.00 0.00 H new ATOM 0 HD2 PRO B 85 13.123 -1.154 -18.626 1.00 0.00 H new ATOM 0 HD3 PRO B 85 12.295 0.388 -18.545 1.00 0.00 H new ATOM 918 N LEU B 86 17.376 0.493 -20.240 1.00 0.00 N ATOM 919 CA LEU B 86 18.603 -0.288 -20.403 1.00 0.00 C ATOM 920 C LEU B 86 18.537 -1.653 -19.706 1.00 0.00 C ATOM 921 O LEU B 86 17.817 -1.843 -18.721 1.00 0.00 O ATOM 922 CB LEU B 86 19.805 0.510 -19.873 1.00 0.00 C ATOM 923 CG LEU B 86 19.551 1.406 -18.648 1.00 0.00 C ATOM 924 CD1 LEU B 86 19.066 0.607 -17.445 1.00 0.00 C ATOM 925 CD2 LEU B 86 20.815 2.168 -18.294 1.00 0.00 C ATOM 0 H LEU B 86 17.539 1.470 -19.995 1.00 0.00 H new ATOM 0 HA LEU B 86 18.719 -0.479 -21.470 1.00 0.00 H new ATOM 0 HB2 LEU B 86 20.597 -0.195 -19.621 1.00 0.00 H new ATOM 0 HB3 LEU B 86 20.181 1.137 -20.682 1.00 0.00 H new ATOM 0 HG LEU B 86 18.761 2.109 -18.912 1.00 0.00 H new ATOM 0 HD11 LEU B 86 18.900 1.280 -16.604 1.00 0.00 H new ATOM 0 HD12 LEU B 86 18.133 0.102 -17.696 1.00 0.00 H new ATOM 0 HD13 LEU B 86 19.818 -0.134 -17.173 1.00 0.00 H new ATOM 0 HD21 LEU B 86 20.628 2.800 -17.426 1.00 0.00 H new ATOM 0 HD22 LEU B 86 21.613 1.462 -18.063 1.00 0.00 H new ATOM 0 HD23 LEU B 86 21.113 2.790 -19.138 1.00 0.00 H new ATOM 937 N GLY B 87 19.317 -2.597 -20.218 1.00 0.00 N ATOM 938 CA GLY B 87 19.352 -3.934 -19.652 1.00 0.00 C ATOM 939 C GLY B 87 20.205 -4.009 -18.401 1.00 0.00 C ATOM 940 O GLY B 87 20.520 -5.094 -17.914 1.00 0.00 O ATOM 0 H GLY B 87 19.931 -2.460 -21.021 1.00 0.00 H new ATOM 0 HA2 GLY B 87 18.337 -4.253 -19.416 1.00 0.00 H new ATOM 0 HA3 GLY B 87 19.740 -4.630 -20.395 1.00 0.00 H new ATOM 944 N SER B 88 20.581 -2.849 -17.882 1.00 0.00 N ATOM 945 CA SER B 88 21.373 -2.768 -16.667 1.00 0.00 C ATOM 946 C SER B 88 20.488 -2.382 -15.485 1.00 0.00 C ATOM 947 O SER B 88 20.973 -1.933 -14.451 1.00 0.00 O ATOM 948 CB SER B 88 22.495 -1.746 -16.844 1.00 0.00 C ATOM 949 OG SER B 88 23.235 -2.012 -18.024 1.00 0.00 O ATOM 0 H SER B 88 20.347 -1.944 -18.289 1.00 0.00 H new ATOM 0 HA SER B 88 21.814 -3.745 -16.466 1.00 0.00 H new ATOM 0 HB2 SER B 88 22.074 -0.742 -16.892 1.00 0.00 H new ATOM 0 HB3 SER B 88 23.158 -1.773 -15.979 1.00 0.00 H new ATOM 0 HG SER B 88 23.947 -1.346 -18.120 1.00 0.00 H new ATOM 955 N ARG B 89 19.180 -2.562 -15.651 1.00 0.00 N ATOM 956 CA ARG B 89 18.220 -2.226 -14.603 1.00 0.00 C ATOM 957 C ARG B 89 18.128 -3.342 -13.564 1.00 0.00 C ATOM 958 O ARG B 89 17.259 -3.320 -12.698 1.00 0.00 O ATOM 959 CB ARG B 89 16.830 -1.955 -15.188 1.00 0.00 C ATOM 960 CG ARG B 89 16.171 -3.173 -15.820 1.00 0.00 C ATOM 961 CD ARG B 89 14.667 -2.984 -15.951 1.00 0.00 C ATOM 962 NE ARG B 89 14.027 -2.793 -14.645 1.00 0.00 N ATOM 963 CZ ARG B 89 12.708 -2.793 -14.448 1.00 0.00 C ATOM 964 NH1 ARG B 89 11.874 -2.982 -15.463 1.00 0.00 N ATOM 965 NH2 ARG B 89 12.219 -2.606 -13.228 1.00 0.00 N ATOM 0 H ARG B 89 18.761 -2.939 -16.501 1.00 0.00 H new ATOM 0 HA ARG B 89 18.579 -1.318 -14.118 1.00 0.00 H new ATOM 0 HB2 ARG B 89 16.183 -1.575 -14.397 1.00 0.00 H new ATOM 0 HB3 ARG B 89 16.911 -1.169 -15.939 1.00 0.00 H new ATOM 0 HG2 ARG B 89 16.604 -3.353 -16.804 1.00 0.00 H new ATOM 0 HG3 ARG B 89 16.377 -4.056 -15.214 1.00 0.00 H new ATOM 0 HD2 ARG B 89 14.463 -2.122 -16.586 1.00 0.00 H new ATOM 0 HD3 ARG B 89 14.233 -3.853 -16.445 1.00 0.00 H new ATOM 0 HE ARG B 89 14.630 -2.651 -13.835 1.00 0.00 H new ATOM 0 HH11 ARG B 89 12.240 -3.129 -16.404 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.867 -2.980 -15.303 1.00 0.00 H new ATOM 0 HH21 ARG B 89 12.852 -2.462 -12.441 1.00 0.00 H new ATOM 0 HH22 ARG B 89 11.210 -2.606 -13.077 1.00 0.00 H new ATOM 979 N ARG B 90 19.002 -4.330 -13.679 1.00 0.00 N ATOM 980 CA ARG B 90 19.030 -5.448 -12.744 1.00 0.00 C ATOM 981 C ARG B 90 20.456 -5.662 -12.242 1.00 0.00 C ATOM 982 O ARG B 90 21.296 -4.771 -12.374 1.00 0.00 O ATOM 983 CB ARG B 90 18.510 -6.726 -13.414 1.00 0.00 C ATOM 984 CG ARG B 90 17.069 -6.633 -13.899 1.00 0.00 C ATOM 985 CD ARG B 90 16.100 -6.350 -12.760 1.00 0.00 C ATOM 986 NE ARG B 90 16.110 -7.406 -11.748 1.00 0.00 N ATOM 987 CZ ARG B 90 15.610 -7.266 -10.520 1.00 0.00 C ATOM 988 NH1 ARG B 90 15.047 -6.121 -10.155 1.00 0.00 N ATOM 989 NH2 ARG B 90 15.674 -8.272 -9.658 1.00 0.00 N ATOM 0 H ARG B 90 19.706 -4.381 -14.415 1.00 0.00 H new ATOM 0 HA ARG B 90 18.381 -5.215 -11.900 1.00 0.00 H new ATOM 0 HB2 ARG B 90 19.152 -6.966 -14.261 1.00 0.00 H new ATOM 0 HB3 ARG B 90 18.592 -7.552 -12.708 1.00 0.00 H new ATOM 0 HG2 ARG B 90 16.989 -5.845 -14.647 1.00 0.00 H new ATOM 0 HG3 ARG B 90 16.790 -7.566 -14.388 1.00 0.00 H new ATOM 0 HD2 ARG B 90 16.359 -5.400 -12.293 1.00 0.00 H new ATOM 0 HD3 ARG B 90 15.092 -6.244 -13.161 1.00 0.00 H new ATOM 0 HE ARG B 90 16.525 -8.304 -11.997 1.00 0.00 H new ATOM 0 HH11 ARG B 90 14.996 -5.345 -10.815 1.00 0.00 H new ATOM 0 HH12 ARG B 90 14.665 -6.017 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG B 90 16.106 -9.154 -9.934 1.00 0.00 H new ATOM 0 HH22 ARG B 90 15.291 -8.164 -8.719 1.00 0.00 H new ATOM 1003 N PHE B 91 20.712 -6.836 -11.662 1.00 0.00 N ATOM 1004 CA PHE B 91 22.044 -7.209 -11.183 1.00 0.00 C ATOM 1005 C PHE B 91 22.443 -6.388 -9.956 1.00 0.00 C ATOM 1006 O PHE B 91 21.601 -5.734 -9.336 1.00 0.00 O ATOM 1007 CB PHE B 91 23.096 -7.055 -12.293 1.00 0.00 C ATOM 1008 CG PHE B 91 22.844 -7.922 -13.498 1.00 0.00 C ATOM 1009 CD1 PHE B 91 23.362 -9.205 -13.565 1.00 0.00 C ATOM 1010 CD2 PHE B 91 22.092 -7.451 -14.564 1.00 0.00 C ATOM 1011 CE1 PHE B 91 23.137 -10.001 -14.672 1.00 0.00 C ATOM 1012 CE2 PHE B 91 21.863 -8.244 -15.671 1.00 0.00 C ATOM 1013 CZ PHE B 91 22.385 -9.520 -15.725 1.00 0.00 C ATOM 0 H PHE B 91 20.003 -7.554 -11.511 1.00 0.00 H new ATOM 0 HA PHE B 91 22.002 -8.259 -10.892 1.00 0.00 H new ATOM 0 HB2 PHE B 91 23.127 -6.012 -12.608 1.00 0.00 H new ATOM 0 HB3 PHE B 91 24.078 -7.294 -11.885 1.00 0.00 H new ATOM 0 HD1 PHE B 91 23.948 -9.588 -12.743 1.00 0.00 H new ATOM 0 HD2 PHE B 91 21.681 -6.453 -14.528 1.00 0.00 H new ATOM 0 HE1 PHE B 91 23.549 -10.998 -14.713 1.00 0.00 H new ATOM 0 HE2 PHE B 91 21.275 -7.865 -16.494 1.00 0.00 H new ATOM 0 HZ PHE B 91 22.206 -10.142 -16.590 1.00 0.00 H new ATOM 1023 N VAL B 92 23.726 -6.425 -9.612 1.00 0.00 N ATOM 1024 CA VAL B 92 24.223 -5.775 -8.401 1.00 0.00 C ATOM 1025 C VAL B 92 23.975 -4.269 -8.429 1.00 0.00 C ATOM 1026 O VAL B 92 23.583 -3.679 -7.420 1.00 0.00 O ATOM 1027 CB VAL B 92 25.731 -6.041 -8.199 1.00 0.00 C ATOM 1028 CG1 VAL B 92 26.223 -5.429 -6.895 1.00 0.00 C ATOM 1029 CG2 VAL B 92 26.017 -7.536 -8.231 1.00 0.00 C ATOM 0 H VAL B 92 24.445 -6.901 -10.157 1.00 0.00 H new ATOM 0 HA VAL B 92 23.671 -6.206 -7.566 1.00 0.00 H new ATOM 0 HB VAL B 92 26.272 -5.567 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL B 92 27.288 -5.631 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL B 92 26.058 -4.352 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL B 92 25.676 -5.866 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL B 92 27.084 -7.705 -8.087 1.00 0.00 H new ATOM 0 HG22 VAL B 92 25.461 -8.030 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL B 92 25.711 -7.944 -9.194 1.00 0.00 H new ATOM 1039 N VAL B 93 24.183 -3.654 -9.590 1.00 0.00 N ATOM 1040 CA VAL B 93 24.010 -2.212 -9.728 1.00 0.00 C ATOM 1041 C VAL B 93 22.581 -1.786 -9.398 1.00 0.00 C ATOM 1042 O VAL B 93 22.355 -0.675 -8.911 1.00 0.00 O ATOM 1043 CB VAL B 93 24.386 -1.712 -11.142 1.00 0.00 C ATOM 1044 CG1 VAL B 93 25.882 -1.848 -11.376 1.00 0.00 C ATOM 1045 CG2 VAL B 93 23.608 -2.461 -12.215 1.00 0.00 C ATOM 0 H VAL B 93 24.470 -4.130 -10.445 1.00 0.00 H new ATOM 0 HA VAL B 93 24.691 -1.754 -9.011 1.00 0.00 H new ATOM 0 HB VAL B 93 24.118 -0.657 -11.207 1.00 0.00 H new ATOM 0 HG11 VAL B 93 26.128 -1.491 -12.376 1.00 0.00 H new ATOM 0 HG12 VAL B 93 26.421 -1.256 -10.637 1.00 0.00 H new ATOM 0 HG13 VAL B 93 26.171 -2.895 -11.283 1.00 0.00 H new ATOM 0 HG21 VAL B 93 23.893 -2.088 -13.199 1.00 0.00 H new ATOM 0 HG22 VAL B 93 23.833 -3.526 -12.151 1.00 0.00 H new ATOM 0 HG23 VAL B 93 22.540 -2.307 -12.064 1.00 0.00 H new ATOM 1055 N ASP B 94 21.620 -2.673 -9.637 1.00 0.00 N ATOM 1056 CA ASP B 94 20.233 -2.368 -9.331 1.00 0.00 C ATOM 1057 C ASP B 94 19.960 -2.487 -7.839 1.00 0.00 C ATOM 1058 O ASP B 94 19.537 -1.532 -7.203 1.00 0.00 O ATOM 1059 CB ASP B 94 19.269 -3.263 -10.107 1.00 0.00 C ATOM 1060 CG ASP B 94 17.823 -3.100 -9.654 1.00 0.00 C ATOM 1061 OD1 ASP B 94 17.161 -2.130 -10.083 1.00 0.00 O ATOM 1062 OD2 ASP B 94 17.339 -3.945 -8.865 1.00 0.00 O ATOM 0 H ASP B 94 21.777 -3.598 -10.037 1.00 0.00 H new ATOM 0 HA ASP B 94 20.063 -1.337 -9.640 1.00 0.00 H new ATOM 0 HB2 ASP B 94 19.341 -3.032 -11.170 1.00 0.00 H new ATOM 0 HB3 ASP B 94 19.568 -4.304 -9.986 1.00 0.00 H new ATOM 1067 N ASP B 95 20.217 -3.645 -7.264 1.00 0.00 N ATOM 1068 CA ASP B 95 19.923 -3.838 -5.849 1.00 0.00 C ATOM 1069 C ASP B 95 20.699 -2.851 -4.992 1.00 0.00 C ATOM 1070 O ASP B 95 20.239 -2.441 -3.940 1.00 0.00 O ATOM 1071 CB ASP B 95 20.225 -5.262 -5.392 1.00 0.00 C ATOM 1072 CG ASP B 95 19.334 -6.292 -6.059 1.00 0.00 C ATOM 1073 OD1 ASP B 95 18.209 -6.524 -5.570 1.00 0.00 O ATOM 1074 OD2 ASP B 95 19.759 -6.879 -7.073 1.00 0.00 O ATOM 0 H ASP B 95 20.620 -4.453 -7.738 1.00 0.00 H new ATOM 0 HA ASP B 95 18.855 -3.660 -5.723 1.00 0.00 H new ATOM 0 HB2 ASP B 95 21.268 -5.495 -5.608 1.00 0.00 H new ATOM 0 HB3 ASP B 95 20.101 -5.326 -4.311 1.00 0.00 H new ATOM 1079 N ARG B 96 21.854 -2.424 -5.461 1.00 0.00 N ATOM 1080 CA ARG B 96 22.697 -1.562 -4.652 1.00 0.00 C ATOM 1081 C ARG B 96 22.331 -0.098 -4.854 1.00 0.00 C ATOM 1082 O ARG B 96 21.753 0.532 -3.973 1.00 0.00 O ATOM 1083 CB ARG B 96 24.173 -1.796 -4.967 1.00 0.00 C ATOM 1084 CG ARG B 96 25.114 -1.022 -4.060 1.00 0.00 C ATOM 1085 CD ARG B 96 26.551 -1.474 -4.236 1.00 0.00 C ATOM 1086 NE ARG B 96 26.724 -2.883 -3.893 1.00 0.00 N ATOM 1087 CZ ARG B 96 27.900 -3.458 -3.664 1.00 0.00 C ATOM 1088 NH1 ARG B 96 29.017 -2.741 -3.720 1.00 0.00 N ATOM 1089 NH2 ARG B 96 27.957 -4.749 -3.364 1.00 0.00 N ATOM 0 H ARG B 96 22.227 -2.654 -6.382 1.00 0.00 H new ATOM 0 HA ARG B 96 22.527 -1.813 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG B 96 24.391 -2.860 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG B 96 24.365 -1.514 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG B 96 25.037 0.043 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG B 96 24.813 -1.157 -3.021 1.00 0.00 H new ATOM 0 HD2 ARG B 96 26.859 -1.311 -5.269 1.00 0.00 H new ATOM 0 HD3 ARG B 96 27.203 -0.865 -3.609 1.00 0.00 H new ATOM 0 HE ARG B 96 25.888 -3.463 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG B 96 28.974 -1.746 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG B 96 29.918 -3.186 -3.544 1.00 0.00 H new ATOM 0 HH21 ARG B 96 27.099 -5.298 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG B 96 28.859 -5.192 -3.188 1.00 0.00 H new ATOM 1103 N ARG B 97 22.637 0.434 -6.024 1.00 0.00 N ATOM 1104 CA ARG B 97 22.408 1.844 -6.300 1.00 0.00 C ATOM 1105 C ARG B 97 20.932 2.122 -6.567 1.00 0.00 C ATOM 1106 O ARG B 97 20.381 3.120 -6.096 1.00 0.00 O ATOM 1107 CB ARG B 97 23.280 2.288 -7.483 1.00 0.00 C ATOM 1108 CG ARG B 97 22.913 3.642 -8.074 1.00 0.00 C ATOM 1109 CD ARG B 97 22.175 3.488 -9.394 1.00 0.00 C ATOM 1110 NE ARG B 97 22.983 2.781 -10.387 1.00 0.00 N ATOM 1111 CZ ARG B 97 22.540 2.413 -11.589 1.00 0.00 C ATOM 1112 NH1 ARG B 97 21.290 2.664 -11.948 1.00 0.00 N ATOM 1113 NH2 ARG B 97 23.350 1.784 -12.428 1.00 0.00 N ATOM 0 H ARG B 97 23.045 -0.088 -6.800 1.00 0.00 H new ATOM 0 HA ARG B 97 22.690 2.423 -5.421 1.00 0.00 H new ATOM 0 HB2 ARG B 97 24.320 2.319 -7.158 1.00 0.00 H new ATOM 0 HB3 ARG B 97 23.214 1.535 -8.268 1.00 0.00 H new ATOM 0 HG2 ARG B 97 22.290 4.192 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG B 97 23.817 4.231 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG B 97 21.244 2.945 -9.229 1.00 0.00 H new ATOM 0 HD3 ARG B 97 21.906 4.472 -9.778 1.00 0.00 H new ATOM 0 HE ARG B 97 23.948 2.555 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG B 97 20.660 3.142 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG B 97 20.957 2.380 -12.869 1.00 0.00 H new ATOM 0 HH21 ARG B 97 24.311 1.582 -12.154 1.00 0.00 H new ATOM 0 HH22 ARG B 97 23.012 1.502 -13.348 1.00 0.00 H new ATOM 1127 N GLU B 98 20.288 1.230 -7.305 1.00 0.00 N ATOM 1128 CA GLU B 98 18.900 1.432 -7.690 1.00 0.00 C ATOM 1129 C GLU B 98 17.943 1.255 -6.515 1.00 0.00 C ATOM 1130 O GLU B 98 16.933 1.952 -6.448 1.00 0.00 O ATOM 1131 CB GLU B 98 18.510 0.493 -8.822 1.00 0.00 C ATOM 1132 CG GLU B 98 19.087 0.896 -10.160 1.00 0.00 C ATOM 1133 CD GLU B 98 18.460 2.163 -10.693 1.00 0.00 C ATOM 1134 OE1 GLU B 98 19.066 3.240 -10.538 1.00 0.00 O ATOM 1135 OE2 GLU B 98 17.353 2.085 -11.267 1.00 0.00 O ATOM 0 H GLU B 98 20.702 0.363 -7.648 1.00 0.00 H new ATOM 0 HA GLU B 98 18.816 2.463 -8.034 1.00 0.00 H new ATOM 0 HB2 GLU B 98 18.844 -0.516 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU B 98 17.423 0.459 -8.898 1.00 0.00 H new ATOM 0 HG2 GLU B 98 20.163 1.039 -10.062 1.00 0.00 H new ATOM 0 HG3 GLU B 98 18.937 0.089 -10.877 1.00 0.00 H new ATOM 1142 N LEU B 99 18.241 0.331 -5.591 1.00 0.00 N ATOM 1143 CA LEU B 99 17.358 0.111 -4.454 1.00 0.00 C ATOM 1144 C LEU B 99 17.284 1.373 -3.601 1.00 0.00 C ATOM 1145 O LEU B 99 16.197 1.892 -3.371 1.00 0.00 O ATOM 1146 CB LEU B 99 17.830 -1.107 -3.650 1.00 0.00 C ATOM 1147 CG LEU B 99 17.011 -1.508 -2.414 1.00 0.00 C ATOM 1148 CD1 LEU B 99 17.528 -0.797 -1.181 1.00 0.00 C ATOM 1149 CD2 LEU B 99 15.526 -1.232 -2.613 1.00 0.00 C ATOM 0 H LEU B 99 19.071 -0.262 -5.612 1.00 0.00 H new ATOM 0 HA LEU B 99 16.349 -0.104 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU B 99 17.860 -1.963 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU B 99 18.854 -0.919 -3.327 1.00 0.00 H new ATOM 0 HG LEU B 99 17.129 -2.582 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU B 99 16.936 -1.093 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU B 99 18.571 -1.066 -1.016 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.449 0.281 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU B 99 14.978 -1.528 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.375 -0.168 -2.796 1.00 0.00 H new ATOM 0 HD23 LEU B 99 15.161 -1.802 -3.467 1.00 0.00 H new ATOM 1161 N GLN B 100 18.438 1.877 -3.172 1.00 0.00 N ATOM 1162 CA GLN B 100 18.500 3.128 -2.412 1.00 0.00 C ATOM 1163 C GLN B 100 17.712 4.220 -3.136 1.00 0.00 C ATOM 1164 O GLN B 100 16.913 4.944 -2.539 1.00 0.00 O ATOM 1165 CB GLN B 100 19.953 3.598 -2.271 1.00 0.00 C ATOM 1166 CG GLN B 100 20.936 2.524 -1.831 1.00 0.00 C ATOM 1167 CD GLN B 100 20.713 2.054 -0.407 1.00 0.00 C ATOM 1168 OE1 GLN B 100 19.983 1.095 -0.162 1.00 0.00 O ATOM 1169 NE2 GLN B 100 21.349 2.722 0.542 1.00 0.00 N ATOM 0 H GLN B 100 19.345 1.440 -3.336 1.00 0.00 H new ATOM 0 HA GLN B 100 18.073 2.945 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN B 100 20.283 4.001 -3.228 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.986 4.416 -1.552 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.857 1.671 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN B 100 21.951 2.910 -1.924 1.00 0.00 H new ATOM 0 HE21 GLN B 100 21.946 3.512 0.297 1.00 0.00 H new ATOM 0 HE22 GLN B 100 21.243 2.447 1.518 1.00 0.00 H new ATOM 1178 N TYR B 101 17.935 4.293 -4.444 1.00 0.00 N ATOM 1179 CA TYR B 101 17.346 5.315 -5.299 1.00 0.00 C ATOM 1180 C TYR B 101 15.824 5.200 -5.362 1.00 0.00 C ATOM 1181 O TYR B 101 15.126 6.215 -5.350 1.00 0.00 O ATOM 1182 CB TYR B 101 17.947 5.197 -6.707 1.00 0.00 C ATOM 1183 CG TYR B 101 17.401 6.180 -7.723 1.00 0.00 C ATOM 1184 CD1 TYR B 101 18.002 7.416 -7.913 1.00 0.00 C ATOM 1185 CD2 TYR B 101 16.295 5.861 -8.503 1.00 0.00 C ATOM 1186 CE1 TYR B 101 17.517 8.308 -8.850 1.00 0.00 C ATOM 1187 CE2 TYR B 101 15.803 6.749 -9.439 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.417 7.970 -9.609 1.00 0.00 C ATOM 1189 OH TYR B 101 15.933 8.854 -10.547 1.00 0.00 O ATOM 0 H TYR B 101 18.536 3.638 -4.944 1.00 0.00 H new ATOM 0 HA TYR B 101 17.576 6.292 -4.874 1.00 0.00 H new ATOM 0 HB2 TYR B 101 19.026 5.332 -6.637 1.00 0.00 H new ATOM 0 HB3 TYR B 101 17.776 4.185 -7.075 1.00 0.00 H new ATOM 0 HD1 TYR B 101 18.863 7.685 -7.319 1.00 0.00 H new ATOM 0 HD2 TYR B 101 15.813 4.903 -8.375 1.00 0.00 H new ATOM 0 HE1 TYR B 101 17.997 9.266 -8.987 1.00 0.00 H new ATOM 0 HE2 TYR B 101 14.941 6.487 -10.035 1.00 0.00 H new ATOM 0 HH TYR B 101 15.155 8.462 -10.996 1.00 0.00 H new ATOM 1199 N ARG B 102 15.300 3.982 -5.429 1.00 0.00 N ATOM 1200 CA ARG B 102 13.859 3.815 -5.570 1.00 0.00 C ATOM 1201 C ARG B 102 13.129 4.032 -4.252 1.00 0.00 C ATOM 1202 O ARG B 102 11.949 4.359 -4.257 1.00 0.00 O ATOM 1203 CB ARG B 102 13.471 2.469 -6.203 1.00 0.00 C ATOM 1204 CG ARG B 102 14.056 1.235 -5.539 1.00 0.00 C ATOM 1205 CD ARG B 102 13.476 -0.033 -6.151 1.00 0.00 C ATOM 1206 NE ARG B 102 14.289 -1.217 -5.868 1.00 0.00 N ATOM 1207 CZ ARG B 102 13.793 -2.400 -5.500 1.00 0.00 C ATOM 1208 NH1 ARG B 102 12.485 -2.561 -5.338 1.00 0.00 N ATOM 1209 NH2 ARG B 102 14.610 -3.425 -5.301 1.00 0.00 N ATOM 0 H ARG B 102 15.836 3.115 -5.389 1.00 0.00 H new ATOM 0 HA ARG B 102 13.536 4.593 -6.262 1.00 0.00 H new ATOM 0 HB2 ARG B 102 12.384 2.384 -6.193 1.00 0.00 H new ATOM 0 HB3 ARG B 102 13.780 2.478 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG B 102 15.140 1.235 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG B 102 13.846 1.257 -4.470 1.00 0.00 H new ATOM 0 HD2 ARG B 102 12.468 -0.189 -5.767 1.00 0.00 H new ATOM 0 HD3 ARG B 102 13.390 0.095 -7.230 1.00 0.00 H new ATOM 0 HE ARG B 102 15.301 -1.132 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG B 102 11.851 -1.777 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG B 102 12.114 -3.468 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG B 102 15.615 -3.308 -5.429 1.00 0.00 H new ATOM 0 HH22 ARG B 102 14.233 -4.330 -5.020 1.00 0.00 H new ATOM 1223 N VAL B 103 13.819 3.892 -3.128 1.00 0.00 N ATOM 1224 CA VAL B 103 13.177 4.108 -1.835 1.00 0.00 C ATOM 1225 C VAL B 103 12.824 5.588 -1.659 1.00 0.00 C ATOM 1226 O VAL B 103 11.726 5.926 -1.221 1.00 0.00 O ATOM 1227 CB VAL B 103 14.056 3.631 -0.654 1.00 0.00 C ATOM 1228 CG1 VAL B 103 13.254 3.566 0.632 1.00 0.00 C ATOM 1229 CG2 VAL B 103 14.663 2.274 -0.937 1.00 0.00 C ATOM 0 H VAL B 103 14.805 3.635 -3.082 1.00 0.00 H new ATOM 0 HA VAL B 103 12.266 3.510 -1.826 1.00 0.00 H new ATOM 0 HB VAL B 103 14.858 4.359 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL B 103 13.897 3.228 1.445 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.862 4.556 0.867 1.00 0.00 H new ATOM 0 HG13 VAL B 103 12.426 2.868 0.510 1.00 0.00 H new ATOM 0 HG21 VAL B 103 15.275 1.965 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL B 103 13.868 1.545 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL B 103 15.284 2.332 -1.831 1.00 0.00 H new ATOM 1239 N GLU B 104 13.752 6.471 -2.022 1.00 0.00 N ATOM 1240 CA GLU B 104 13.507 7.911 -1.941 1.00 0.00 C ATOM 1241 C GLU B 104 12.416 8.373 -2.904 1.00 0.00 C ATOM 1242 O GLU B 104 11.586 9.205 -2.535 1.00 0.00 O ATOM 1243 CB GLU B 104 14.794 8.720 -2.150 1.00 0.00 C ATOM 1244 CG GLU B 104 15.787 8.078 -3.094 1.00 0.00 C ATOM 1245 CD GLU B 104 16.958 8.984 -3.408 1.00 0.00 C ATOM 1246 OE1 GLU B 104 17.057 9.451 -4.562 1.00 0.00 O ATOM 1247 OE2 GLU B 104 17.778 9.247 -2.500 1.00 0.00 O ATOM 0 H GLU B 104 14.676 6.218 -2.373 1.00 0.00 H new ATOM 0 HA GLU B 104 13.148 8.101 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU B 104 14.531 9.706 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU B 104 15.275 8.872 -1.184 1.00 0.00 H new ATOM 0 HG2 GLU B 104 16.156 7.152 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU B 104 15.281 7.810 -4.021 1.00 0.00 H new ATOM 1254 N VAL B 105 12.395 7.848 -4.127 1.00 0.00 N ATOM 1255 CA VAL B 105 11.310 8.184 -5.040 1.00 0.00 C ATOM 1256 C VAL B 105 9.994 7.631 -4.517 1.00 0.00 C ATOM 1257 O VAL B 105 8.991 8.326 -4.545 1.00 0.00 O ATOM 1258 CB VAL B 105 11.566 7.734 -6.507 1.00 0.00 C ATOM 1259 CG1 VAL B 105 12.332 6.436 -6.570 1.00 0.00 C ATOM 1260 CG2 VAL B 105 10.271 7.598 -7.285 1.00 0.00 C ATOM 0 H VAL B 105 13.096 7.207 -4.499 1.00 0.00 H new ATOM 0 HA VAL B 105 11.256 9.272 -5.074 1.00 0.00 H new ATOM 0 HB VAL B 105 12.170 8.516 -6.967 1.00 0.00 H new ATOM 0 HG11 VAL B 105 12.490 6.157 -7.612 1.00 0.00 H new ATOM 0 HG12 VAL B 105 13.296 6.558 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.764 5.654 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL B 105 10.491 7.282 -8.305 1.00 0.00 H new ATOM 0 HG22 VAL B 105 9.634 6.855 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL B 105 9.756 8.559 -7.306 1.00 0.00 H new ATOM 1270 N GLN B 106 10.007 6.408 -3.988 1.00 0.00 N ATOM 1271 CA GLN B 106 8.799 5.825 -3.408 1.00 0.00 C ATOM 1272 C GLN B 106 8.247 6.721 -2.300 1.00 0.00 C ATOM 1273 O GLN B 106 7.040 6.937 -2.222 1.00 0.00 O ATOM 1274 CB GLN B 106 9.062 4.412 -2.881 1.00 0.00 C ATOM 1275 CG GLN B 106 9.221 3.366 -3.975 1.00 0.00 C ATOM 1276 CD GLN B 106 8.043 3.322 -4.928 1.00 0.00 C ATOM 1277 OE1 GLN B 106 7.074 2.600 -4.704 1.00 0.00 O ATOM 1278 NE2 GLN B 106 8.121 4.091 -6.003 1.00 0.00 N ATOM 0 H GLN B 106 10.831 5.808 -3.949 1.00 0.00 H new ATOM 0 HA GLN B 106 8.051 5.752 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.965 4.425 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN B 106 8.239 4.119 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN B 106 10.130 3.574 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN B 106 9.347 2.385 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN B 106 8.943 4.676 -6.153 1.00 0.00 H new ATOM 0 HE22 GLN B 106 7.359 4.098 -6.681 1.00 0.00 H new ATOM 1287 N ASN B 107 9.138 7.257 -1.465 1.00 0.00 N ATOM 1288 CA ASN B 107 8.756 8.236 -0.442 1.00 0.00 C ATOM 1289 C ASN B 107 7.957 9.384 -1.061 1.00 0.00 C ATOM 1290 O ASN B 107 6.867 9.722 -0.600 1.00 0.00 O ATOM 1291 CB ASN B 107 9.999 8.792 0.259 1.00 0.00 C ATOM 1292 CG ASN B 107 9.721 10.101 0.977 1.00 0.00 C ATOM 1293 OD1 ASN B 107 10.013 11.181 0.460 1.00 0.00 O ATOM 1294 ND2 ASN B 107 9.120 10.017 2.151 1.00 0.00 N ATOM 0 H ASN B 107 10.132 7.030 -1.476 1.00 0.00 H new ATOM 0 HA ASN B 107 8.130 7.728 0.292 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.367 8.058 0.976 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.790 8.944 -0.476 1.00 0.00 H new ATOM 0 HD21 ASN B 107 8.881 10.866 2.663 1.00 0.00 H new ATOM 0 HD22 ASN B 107 8.895 9.103 2.545 1.00 0.00 H new ATOM 1301 N ARG B 108 8.504 9.961 -2.121 1.00 0.00 N ATOM 1302 CA ARG B 108 7.881 11.089 -2.798 1.00 0.00 C ATOM 1303 C ARG B 108 6.589 10.672 -3.494 1.00 0.00 C ATOM 1304 O ARG B 108 5.562 11.343 -3.380 1.00 0.00 O ATOM 1305 CB ARG B 108 8.850 11.674 -3.820 1.00 0.00 C ATOM 1306 CG ARG B 108 10.091 12.294 -3.197 1.00 0.00 C ATOM 1307 CD ARG B 108 10.962 12.976 -4.238 1.00 0.00 C ATOM 1308 NE ARG B 108 10.271 14.090 -4.887 1.00 0.00 N ATOM 1309 CZ ARG B 108 10.837 14.902 -5.778 1.00 0.00 C ATOM 1310 NH1 ARG B 108 12.108 14.731 -6.126 1.00 0.00 N ATOM 1311 NH2 ARG B 108 10.131 15.887 -6.321 1.00 0.00 N ATOM 0 H ARG B 108 9.387 9.663 -2.534 1.00 0.00 H new ATOM 0 HA ARG B 108 7.636 11.842 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG B 108 9.155 10.888 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG B 108 8.332 12.432 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.794 13.019 -2.439 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.668 11.521 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.874 13.341 -3.765 1.00 0.00 H new ATOM 0 HD3 ARG B 108 11.263 12.248 -4.991 1.00 0.00 H new ATOM 0 HE ARG B 108 9.295 14.255 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG B 108 12.653 13.976 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG B 108 12.538 15.355 -6.809 1.00 0.00 H new ATOM 0 HH21 ARG B 108 9.155 16.022 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG B 108 10.564 16.509 -7.003 1.00 0.00 H new ATOM 1325 N VAL B 109 6.662 9.567 -4.218 1.00 0.00 N ATOM 1326 CA VAL B 109 5.521 9.028 -4.947 1.00 0.00 C ATOM 1327 C VAL B 109 4.342 8.773 -4.021 1.00 0.00 C ATOM 1328 O VAL B 109 3.226 9.200 -4.304 1.00 0.00 O ATOM 1329 CB VAL B 109 5.884 7.721 -5.681 1.00 0.00 C ATOM 1330 CG1 VAL B 109 4.668 7.140 -6.392 1.00 0.00 C ATOM 1331 CG2 VAL B 109 7.015 7.963 -6.669 1.00 0.00 C ATOM 0 H VAL B 109 7.515 9.016 -4.318 1.00 0.00 H new ATOM 0 HA VAL B 109 5.238 9.779 -5.684 1.00 0.00 H new ATOM 0 HB VAL B 109 6.220 6.997 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.950 6.219 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.887 6.926 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL B 109 4.295 7.859 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL B 109 7.259 7.031 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL B 109 6.704 8.707 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.893 8.325 -6.135 1.00 0.00 H new ATOM 1341 N TYR B 110 4.595 8.100 -2.907 1.00 0.00 N ATOM 1342 CA TYR B 110 3.534 7.779 -1.963 1.00 0.00 C ATOM 1343 C TYR B 110 2.925 9.047 -1.370 1.00 0.00 C ATOM 1344 O TYR B 110 1.754 9.062 -0.992 1.00 0.00 O ATOM 1345 CB TYR B 110 4.049 6.863 -0.853 1.00 0.00 C ATOM 1346 CG TYR B 110 4.452 5.479 -1.318 1.00 0.00 C ATOM 1347 CD1 TYR B 110 3.844 4.881 -2.419 1.00 0.00 C ATOM 1348 CD2 TYR B 110 5.437 4.764 -0.648 1.00 0.00 C ATOM 1349 CE1 TYR B 110 4.209 3.617 -2.835 1.00 0.00 C ATOM 1350 CE2 TYR B 110 5.807 3.499 -1.061 1.00 0.00 C ATOM 1351 CZ TYR B 110 5.189 2.931 -2.152 1.00 0.00 C ATOM 1352 OH TYR B 110 5.553 1.670 -2.564 1.00 0.00 O ATOM 0 H TYR B 110 5.520 7.767 -2.636 1.00 0.00 H new ATOM 0 HA TYR B 110 2.753 7.250 -2.509 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.907 7.337 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.276 6.766 -0.091 1.00 0.00 H new ATOM 0 HD1 TYR B 110 3.074 5.415 -2.956 1.00 0.00 H new ATOM 0 HD2 TYR B 110 5.922 5.205 0.211 1.00 0.00 H new ATOM 0 HE1 TYR B 110 3.729 3.168 -3.692 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.577 2.958 -0.531 1.00 0.00 H new ATOM 0 HH TYR B 110 6.140 1.738 -3.345 1.00 0.00 H new ATOM 1362 N LYS B 111 3.718 10.111 -1.297 1.00 0.00 N ATOM 1363 CA LYS B 111 3.210 11.404 -0.855 1.00 0.00 C ATOM 1364 C LYS B 111 2.230 11.943 -1.886 1.00 0.00 C ATOM 1365 O LYS B 111 1.156 12.437 -1.543 1.00 0.00 O ATOM 1366 CB LYS B 111 4.357 12.398 -0.644 1.00 0.00 C ATOM 1367 CG LYS B 111 3.899 13.768 -0.156 1.00 0.00 C ATOM 1368 CD LYS B 111 5.050 14.762 -0.091 1.00 0.00 C ATOM 1369 CE LYS B 111 6.102 14.355 0.929 1.00 0.00 C ATOM 1370 NZ LYS B 111 5.578 14.380 2.321 1.00 0.00 N ATOM 0 H LYS B 111 4.709 10.104 -1.537 1.00 0.00 H new ATOM 0 HA LYS B 111 2.698 11.273 0.098 1.00 0.00 H new ATOM 0 HB2 LYS B 111 5.059 11.981 0.078 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.899 12.519 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS B 111 3.126 14.151 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.448 13.669 0.832 1.00 0.00 H new ATOM 0 HD2 LYS B 111 5.513 14.845 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS B 111 4.662 15.749 0.163 1.00 0.00 H new ATOM 0 HE2 LYS B 111 6.462 13.353 0.696 1.00 0.00 H new ATOM 0 HE3 LYS B 111 6.957 15.026 0.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 6.363 14.246 2.990 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 5.121 15.296 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 4.883 13.616 2.444 1.00 0.00 H new ATOM 1384 N LYS B 112 2.605 11.817 -3.155 1.00 0.00 N ATOM 1385 CA LYS B 112 1.754 12.231 -4.264 1.00 0.00 C ATOM 1386 C LYS B 112 0.458 11.426 -4.262 1.00 0.00 C ATOM 1387 O LYS B 112 -0.613 11.953 -4.576 1.00 0.00 O ATOM 1388 CB LYS B 112 2.490 12.036 -5.592 1.00 0.00 C ATOM 1389 CG LYS B 112 3.756 12.869 -5.720 1.00 0.00 C ATOM 1390 CD LYS B 112 4.640 12.386 -6.862 1.00 0.00 C ATOM 1391 CE LYS B 112 3.956 12.507 -8.215 1.00 0.00 C ATOM 1392 NZ LYS B 112 3.703 13.923 -8.593 1.00 0.00 N ATOM 0 H LYS B 112 3.503 11.427 -3.442 1.00 0.00 H new ATOM 0 HA LYS B 112 1.512 13.287 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.747 10.982 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.816 12.288 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.489 13.913 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS B 112 4.315 12.826 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.564 12.964 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.916 11.346 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS B 112 4.576 12.035 -8.977 1.00 0.00 H new ATOM 0 HE3 LYS B 112 3.011 11.965 -8.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 3.346 13.963 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 2.997 14.334 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 4.589 14.464 -8.526 1.00 0.00 H new ATOM 1406 N GLU B 113 0.569 10.148 -3.904 1.00 0.00 N ATOM 1407 CA GLU B 113 -0.587 9.275 -3.786 1.00 0.00 C ATOM 1408 C GLU B 113 -1.581 9.839 -2.788 1.00 0.00 C ATOM 1409 O GLU B 113 -2.744 10.026 -3.113 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.156 7.878 -3.343 1.00 0.00 C ATOM 1411 CG GLU B 113 0.869 7.247 -4.263 1.00 0.00 C ATOM 1412 CD GLU B 113 0.291 6.857 -5.606 1.00 0.00 C ATOM 1413 OE1 GLU B 113 0.008 7.754 -6.424 1.00 0.00 O ATOM 1414 OE2 GLU B 113 0.126 5.646 -5.856 1.00 0.00 O ATOM 0 H GLU B 113 1.458 9.695 -3.690 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.064 9.210 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU B 113 0.257 7.935 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.034 7.234 -3.292 1.00 0.00 H new ATOM 0 HG2 GLU B 113 1.692 7.945 -4.416 1.00 0.00 H new ATOM 0 HG3 GLU B 113 1.287 6.363 -3.782 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.109 10.125 -1.578 1.00 0.00 N ATOM 1422 CA ILE B 114 -1.960 10.643 -0.512 1.00 0.00 C ATOM 1423 C ILE B 114 -2.675 11.925 -0.928 1.00 0.00 C ATOM 1424 O ILE B 114 -3.817 12.160 -0.544 1.00 0.00 O ATOM 1425 CB ILE B 114 -1.138 10.882 0.767 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.539 9.556 1.225 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -1.995 11.501 1.865 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.366 9.680 2.421 1.00 0.00 C ATOM 0 H ILE B 114 -0.132 10.005 -1.310 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.722 9.890 -0.310 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.336 11.587 0.551 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.348 8.865 1.463 1.00 0.00 H new ATOM 0 HG13 ILE B 114 0.022 9.117 0.400 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -1.387 11.658 2.756 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -2.391 12.457 1.522 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.821 10.831 2.103 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.753 8.697 2.688 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.196 10.345 2.182 1.00 0.00 H new ATOM 0 HD13 ILE B 114 -0.195 10.089 3.261 1.00 0.00 H new ATOM 1440 N GLN B 115 -2.011 12.737 -1.731 1.00 0.00 N ATOM 1441 CA GLN B 115 -2.613 13.958 -2.246 1.00 0.00 C ATOM 1442 C GLN B 115 -3.787 13.624 -3.159 1.00 0.00 C ATOM 1443 O GLN B 115 -4.852 14.243 -3.085 1.00 0.00 O ATOM 1444 CB GLN B 115 -1.572 14.761 -2.994 1.00 0.00 C ATOM 1445 CG GLN B 115 -0.341 15.002 -2.158 1.00 0.00 C ATOM 1446 CD GLN B 115 0.563 16.058 -2.738 1.00 0.00 C ATOM 1447 OE1 GLN B 115 0.664 16.216 -3.954 1.00 0.00 O ATOM 1448 NE2 GLN B 115 1.203 16.812 -1.870 1.00 0.00 N ATOM 0 H GLN B 115 -1.053 12.574 -2.042 1.00 0.00 H new ATOM 0 HA GLN B 115 -2.987 14.552 -1.412 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -1.294 14.234 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -1.999 15.717 -3.296 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -0.642 15.300 -1.154 1.00 0.00 H new ATOM 0 HG3 GLN B 115 0.214 14.069 -2.060 1.00 0.00 H new ATOM 0 HE21 GLN B 115 1.090 16.646 -0.870 1.00 0.00 H new ATOM 0 HE22 GLN B 115 1.812 17.562 -2.197 1.00 0.00 H new ATOM 1457 N ALA B 116 -3.579 12.630 -4.009 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.630 12.129 -4.887 1.00 0.00 C ATOM 1459 C ALA B 116 -5.727 11.453 -4.072 1.00 0.00 C ATOM 1460 O ALA B 116 -6.916 11.648 -4.317 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.049 11.146 -5.889 1.00 0.00 C ATOM 0 H ALA B 116 -2.685 12.150 -4.111 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.063 12.972 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -4.842 10.778 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.289 11.645 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -3.598 10.308 -5.357 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.305 10.660 -3.097 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.214 9.943 -2.217 1.00 0.00 C ATOM 1469 C LEU B 117 -7.031 10.919 -1.387 1.00 0.00 C ATOM 1470 O LEU B 117 -8.149 10.619 -0.995 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.423 9.004 -1.300 1.00 0.00 C ATOM 1472 CG LEU B 117 -4.543 7.984 -2.029 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -3.610 7.284 -1.061 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -5.394 6.965 -2.765 1.00 0.00 C ATOM 0 H LEU B 117 -4.319 10.496 -2.894 1.00 0.00 H new ATOM 0 HA LEU B 117 -6.897 9.352 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.792 9.605 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.124 8.467 -0.661 1.00 0.00 H new ATOM 0 HG LEU B 117 -3.941 8.525 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -2.996 6.565 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -2.967 8.020 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.196 6.763 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -4.747 6.251 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.027 6.436 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.020 7.475 -3.497 1.00 0.00 H new ATOM 1486 N ASP B 118 -6.470 12.095 -1.136 1.00 0.00 N ATOM 1487 CA ASP B 118 -7.160 13.127 -0.372 1.00 0.00 C ATOM 1488 C ASP B 118 -8.385 13.620 -1.135 1.00 0.00 C ATOM 1489 O ASP B 118 -9.393 13.997 -0.536 1.00 0.00 O ATOM 1490 CB ASP B 118 -6.218 14.291 -0.059 1.00 0.00 C ATOM 1491 CG ASP B 118 -6.843 15.312 0.873 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -7.367 16.332 0.383 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -6.799 15.106 2.107 1.00 0.00 O ATOM 0 H ASP B 118 -5.536 12.359 -1.451 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.489 12.694 0.572 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -5.305 13.903 0.392 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -5.931 14.781 -0.989 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.300 13.600 -2.461 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.451 13.906 -3.301 1.00 0.00 C ATOM 1500 C ALA B 119 -10.523 12.841 -3.108 1.00 0.00 C ATOM 1501 O ALA B 119 -11.720 13.132 -3.064 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.041 13.990 -4.763 1.00 0.00 C ATOM 0 H ALA B 119 -7.448 13.376 -2.976 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.855 14.875 -3.008 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.915 14.219 -5.373 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.295 14.775 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.619 13.036 -5.078 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.076 11.599 -2.985 1.00 0.00 N ATOM 1509 CA GLU B 120 -10.951 10.494 -2.656 1.00 0.00 C ATOM 1510 C GLU B 120 -11.483 10.626 -1.229 1.00 0.00 C ATOM 1511 O GLU B 120 -12.561 10.147 -0.918 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.205 9.179 -2.821 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.310 8.549 -4.203 1.00 0.00 C ATOM 1514 CD GLU B 120 -10.115 9.528 -5.340 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -11.105 10.178 -5.735 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -8.985 9.632 -5.861 1.00 0.00 O ATOM 0 H GLU B 120 -9.099 11.335 -3.111 1.00 0.00 H new ATOM 0 HA GLU B 120 -11.802 10.511 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.152 9.345 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -10.583 8.469 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -9.567 7.756 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.289 8.080 -4.304 1.00 0.00 H new ATOM 1523 N ILE B 121 -10.722 11.262 -0.350 1.00 0.00 N ATOM 1524 CA ILE B 121 -11.205 11.536 0.996 1.00 0.00 C ATOM 1525 C ILE B 121 -12.499 12.345 0.931 1.00 0.00 C ATOM 1526 O ILE B 121 -13.394 12.159 1.746 1.00 0.00 O ATOM 1527 CB ILE B 121 -10.136 12.259 1.863 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -9.376 11.251 2.733 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -10.755 13.339 2.739 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -8.643 10.190 1.945 1.00 0.00 C ATOM 0 H ILE B 121 -9.777 11.595 -0.541 1.00 0.00 H new ATOM 0 HA ILE B 121 -11.409 10.581 1.481 1.00 0.00 H new ATOM 0 HB ILE B 121 -9.437 12.741 1.180 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -8.659 11.789 3.353 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -10.080 10.766 3.409 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -9.975 13.820 3.329 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -11.244 14.082 2.109 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -11.490 12.889 3.407 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -8.131 9.516 2.631 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.356 9.624 1.346 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -7.913 10.664 1.289 1.00 0.00 H new ATOM 1542 N ARG B 122 -12.611 13.202 -0.078 1.00 0.00 N ATOM 1543 CA ARG B 122 -13.821 13.988 -0.281 1.00 0.00 C ATOM 1544 C ARG B 122 -15.004 13.077 -0.627 1.00 0.00 C ATOM 1545 O ARG B 122 -16.130 13.303 -0.175 1.00 0.00 O ATOM 1546 CB ARG B 122 -13.600 15.023 -1.386 1.00 0.00 C ATOM 1547 CG ARG B 122 -14.779 15.956 -1.595 1.00 0.00 C ATOM 1548 CD ARG B 122 -14.484 16.995 -2.662 1.00 0.00 C ATOM 1549 NE ARG B 122 -15.600 17.921 -2.843 1.00 0.00 N ATOM 1550 CZ ARG B 122 -15.482 19.137 -3.368 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -14.298 19.567 -3.796 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -16.550 19.918 -3.478 1.00 0.00 N ATOM 0 H ARG B 122 -11.878 13.370 -0.768 1.00 0.00 H new ATOM 0 HA ARG B 122 -14.054 14.512 0.646 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -12.718 15.616 -1.145 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.389 14.504 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -15.656 15.377 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -15.020 16.455 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -13.589 17.554 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -14.270 16.495 -3.607 1.00 0.00 H new ATOM 0 HE ARG B 122 -16.527 17.615 -2.548 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -13.479 18.964 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -14.209 20.500 -4.198 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -17.460 19.585 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -16.460 20.851 -3.881 1.00 0.00 H new ATOM 1566 N LYS B 123 -14.738 12.036 -1.417 1.00 0.00 N ATOM 1567 CA LYS B 123 -15.765 11.048 -1.758 1.00 0.00 C ATOM 1568 C LYS B 123 -16.146 10.263 -0.508 1.00 0.00 C ATOM 1569 O LYS B 123 -17.285 9.834 -0.342 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.258 10.083 -2.844 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.589 8.830 -2.292 1.00 0.00 C ATOM 1572 CD LYS B 123 -13.550 8.228 -3.229 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.020 8.119 -4.668 1.00 0.00 C ATOM 1574 NZ LYS B 123 -13.721 9.343 -5.464 1.00 0.00 N ATOM 0 H LYS B 123 -13.824 11.855 -1.832 1.00 0.00 H new ATOM 0 HA LYS B 123 -16.639 11.572 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.097 9.788 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -14.549 10.610 -3.483 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -14.112 9.072 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.354 8.082 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -12.647 8.837 -3.196 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -13.279 7.236 -2.868 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -13.543 7.259 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -15.094 7.934 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -13.624 9.089 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -14.497 10.027 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -12.834 9.768 -5.127 1.00 0.00 H new ATOM 1588 N LEU B 124 -15.167 10.068 0.359 1.00 0.00 N ATOM 1589 CA LEU B 124 -15.381 9.397 1.618 1.00 0.00 C ATOM 1590 C LEU B 124 -16.208 10.264 2.555 1.00 0.00 C ATOM 1591 O LEU B 124 -17.203 9.806 3.096 1.00 0.00 O ATOM 1592 CB LEU B 124 -14.034 9.049 2.250 1.00 0.00 C ATOM 1593 CG LEU B 124 -13.241 7.957 1.530 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -11.879 7.771 2.181 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -14.014 6.656 1.546 1.00 0.00 C ATOM 0 H LEU B 124 -14.206 10.372 0.205 1.00 0.00 H new ATOM 0 HA LEU B 124 -15.936 8.476 1.439 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -13.425 9.952 2.290 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.204 8.734 3.279 1.00 0.00 H new ATOM 0 HG LEU B 124 -13.089 8.262 0.495 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.328 6.990 1.656 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -11.321 8.706 2.130 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -12.011 7.483 3.224 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.440 5.886 1.031 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.189 6.349 2.577 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -14.970 6.795 1.041 1.00 0.00 H new ATOM 1607 N GLU B 125 -15.814 11.520 2.719 1.00 0.00 N ATOM 1608 CA GLU B 125 -16.490 12.427 3.642 1.00 0.00 C ATOM 1609 C GLU B 125 -17.994 12.480 3.403 1.00 0.00 C ATOM 1610 O GLU B 125 -18.768 12.477 4.352 1.00 0.00 O ATOM 1611 CB GLU B 125 -15.916 13.832 3.543 1.00 0.00 C ATOM 1612 CG GLU B 125 -14.459 13.926 3.950 1.00 0.00 C ATOM 1613 CD GLU B 125 -13.898 15.317 3.745 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -13.820 16.082 4.730 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -13.554 15.660 2.596 1.00 0.00 O ATOM 0 H GLU B 125 -15.026 11.937 2.223 1.00 0.00 H new ATOM 0 HA GLU B 125 -16.318 12.032 4.643 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -16.021 14.186 2.518 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -16.504 14.500 4.173 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -14.357 13.646 4.998 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -13.875 13.211 3.371 1.00 0.00 H new ATOM 1622 N ARG B 126 -18.414 12.517 2.144 1.00 0.00 N ATOM 1623 CA ARG B 126 -19.841 12.540 1.837 1.00 0.00 C ATOM 1624 C ARG B 126 -20.507 11.234 2.275 1.00 0.00 C ATOM 1625 O ARG B 126 -21.668 11.226 2.666 1.00 0.00 O ATOM 1626 CB ARG B 126 -20.093 12.795 0.348 1.00 0.00 C ATOM 1627 CG ARG B 126 -19.481 11.753 -0.568 1.00 0.00 C ATOM 1628 CD ARG B 126 -19.936 11.933 -2.007 1.00 0.00 C ATOM 1629 NE ARG B 126 -21.382 11.768 -2.158 1.00 0.00 N ATOM 1630 CZ ARG B 126 -22.063 12.126 -3.246 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -21.437 12.695 -4.269 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -23.372 11.918 -3.309 1.00 0.00 N ATOM 0 H ARG B 126 -17.799 12.532 1.330 1.00 0.00 H new ATOM 0 HA ARG B 126 -20.284 13.365 2.395 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -21.168 12.831 0.173 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -19.694 13.775 0.085 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -18.394 11.819 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -19.756 10.757 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -19.648 12.925 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -19.422 11.211 -2.641 1.00 0.00 H new ATOM 0 HE ARG B 126 -21.900 11.354 -1.383 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -20.431 12.860 -4.224 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -21.962 12.968 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -23.858 11.484 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -23.892 12.192 -4.142 1.00 0.00 H new ATOM 1646 N LEU B 127 -19.765 10.135 2.207 1.00 0.00 N ATOM 1647 CA LEU B 127 -20.240 8.842 2.689 1.00 0.00 C ATOM 1648 C LEU B 127 -20.340 8.883 4.220 1.00 0.00 C ATOM 1649 O LEU B 127 -21.389 8.591 4.803 1.00 0.00 O ATOM 1650 CB LEU B 127 -19.259 7.750 2.230 1.00 0.00 C ATOM 1651 CG LEU B 127 -19.799 6.323 2.108 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -19.701 5.597 3.437 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -21.231 6.327 1.594 1.00 0.00 C ATOM 0 H LEU B 127 -18.822 10.114 1.819 1.00 0.00 H new ATOM 0 HA LEU B 127 -21.227 8.619 2.284 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -18.859 8.043 1.259 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -18.422 7.735 2.928 1.00 0.00 H new ATOM 0 HG LEU B 127 -19.185 5.788 1.384 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -20.090 4.585 3.328 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -18.658 5.553 3.752 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -20.284 6.131 4.187 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -21.592 5.302 1.516 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -21.864 6.883 2.285 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -21.264 6.799 0.612 1.00 0.00 H new ATOM 1665 N LEU B 128 -19.228 9.255 4.848 1.00 0.00 N ATOM 1666 CA LEU B 128 -19.138 9.490 6.279 1.00 0.00 C ATOM 1667 C LEU B 128 -20.275 10.368 6.809 1.00 0.00 C ATOM 1668 O LEU B 128 -21.135 9.904 7.560 1.00 0.00 O ATOM 1669 CB LEU B 128 -17.794 10.166 6.567 1.00 0.00 C ATOM 1670 CG LEU B 128 -16.579 9.235 6.652 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -16.418 8.358 5.423 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -15.315 10.049 6.888 1.00 0.00 C ATOM 0 H LEU B 128 -18.345 9.404 4.360 1.00 0.00 H new ATOM 0 HA LEU B 128 -19.220 8.529 6.787 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -17.607 10.905 5.788 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -17.877 10.709 7.508 1.00 0.00 H new ATOM 0 HG LEU B 128 -16.750 8.565 7.494 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -15.541 7.722 5.543 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -17.304 7.735 5.302 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -16.293 8.987 4.541 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -14.457 9.380 6.947 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -15.174 10.748 6.064 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -15.408 10.603 7.822 1.00 0.00 H new ATOM 1684 N GLU B 129 -20.275 11.630 6.392 1.00 0.00 N ATOM 1685 CA GLU B 129 -21.186 12.643 6.926 1.00 0.00 C ATOM 1686 C GLU B 129 -22.648 12.338 6.615 1.00 0.00 C ATOM 1687 O GLU B 129 -23.549 12.812 7.306 1.00 0.00 O ATOM 1688 CB GLU B 129 -20.811 14.015 6.372 1.00 0.00 C ATOM 1689 CG GLU B 129 -19.411 14.448 6.765 1.00 0.00 C ATOM 1690 CD GLU B 129 -19.026 15.793 6.187 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -18.170 15.834 5.279 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -19.580 16.820 6.631 1.00 0.00 O ATOM 0 H GLU B 129 -19.643 11.982 5.673 1.00 0.00 H new ATOM 0 HA GLU B 129 -21.081 12.635 8.011 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -20.888 13.996 5.285 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -21.528 14.754 6.729 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -19.342 14.492 7.852 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -18.696 13.696 6.430 1.00 0.00 H new ATOM 1699 N SER B 130 -22.881 11.547 5.579 1.00 0.00 N ATOM 1700 CA SER B 130 -24.240 11.159 5.212 1.00 0.00 C ATOM 1701 C SER B 130 -24.775 10.099 6.178 1.00 0.00 C ATOM 1702 O SER B 130 -25.947 9.720 6.122 1.00 0.00 O ATOM 1703 CB SER B 130 -24.286 10.645 3.769 1.00 0.00 C ATOM 1704 OG SER B 130 -25.618 10.404 3.339 1.00 0.00 O ATOM 0 H SER B 130 -22.153 11.161 4.978 1.00 0.00 H new ATOM 0 HA SER B 130 -24.877 12.041 5.280 1.00 0.00 H new ATOM 0 HB2 SER B 130 -23.817 11.374 3.108 1.00 0.00 H new ATOM 0 HB3 SER B 130 -23.707 9.725 3.692 1.00 0.00 H new ATOM 0 HG SER B 130 -26.180 10.196 4.115 1.00 0.00 H new ATOM 1710 N GLY B 131 -23.913 9.625 7.065 1.00 0.00 N ATOM 1711 CA GLY B 131 -24.337 8.682 8.079 1.00 0.00 C ATOM 1712 C GLY B 131 -24.141 7.244 7.660 1.00 0.00 C ATOM 1713 O GLY B 131 -24.746 6.336 8.230 1.00 0.00 O ATOM 0 H GLY B 131 -22.925 9.877 7.101 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -23.779 8.867 8.997 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -25.390 8.849 8.306 1.00 0.00 H new ATOM 1717 N LEU B 132 -23.304 7.031 6.659 1.00 0.00 N ATOM 1718 CA LEU B 132 -22.987 5.681 6.217 1.00 0.00 C ATOM 1719 C LEU B 132 -21.764 5.162 6.958 1.00 0.00 C ATOM 1720 O LEU B 132 -21.552 3.955 7.061 1.00 0.00 O ATOM 1721 CB LEU B 132 -22.745 5.625 4.705 1.00 0.00 C ATOM 1722 CG LEU B 132 -23.995 5.693 3.814 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -24.983 4.601 4.188 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -24.655 7.058 3.893 1.00 0.00 C ATOM 0 H LEU B 132 -22.833 7.771 6.138 1.00 0.00 H new ATOM 0 HA LEU B 132 -23.845 5.047 6.443 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -22.085 6.449 4.433 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -22.212 4.702 4.477 1.00 0.00 H new ATOM 0 HG LEU B 132 -23.677 5.533 2.784 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -25.860 4.668 3.545 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -24.513 3.626 4.060 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -25.286 4.725 5.228 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -25.536 7.074 3.252 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -24.952 7.260 4.922 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -23.952 7.822 3.562 1.00 0.00 H new ATOM 1736 N THR B 133 -20.956 6.083 7.459 1.00 0.00 N ATOM 1737 CA THR B 133 -19.776 5.735 8.231 1.00 0.00 C ATOM 1738 C THR B 133 -19.461 6.844 9.234 1.00 0.00 C ATOM 1739 O THR B 133 -19.966 6.771 10.373 1.00 0.00 O ATOM 1740 CB THR B 133 -18.559 5.484 7.313 1.00 0.00 C ATOM 1741 OG1 THR B 133 -18.872 4.453 6.367 1.00 0.00 O ATOM 1742 CG2 THR B 133 -17.336 5.068 8.116 1.00 0.00 C ATOM 1743 OXT THR B 133 -18.742 7.795 8.875 1.00 0.00 O ATOM 0 H THR B 133 -21.099 7.086 7.343 1.00 0.00 H new ATOM 0 HA THR B 133 -19.985 4.811 8.771 1.00 0.00 H new ATOM 0 HB THR B 133 -18.332 6.415 6.794 1.00 0.00 H new ATOM 0 HG1 THR B 133 -18.099 4.297 5.785 1.00 0.00 H new ATOM 0 HG21 THR B 133 -16.497 4.899 7.440 1.00 0.00 H new ATOM 0 HG22 THR B 133 -17.079 5.857 8.823 1.00 0.00 H new ATOM 0 HG23 THR B 133 -17.554 4.149 8.661 1.00 0.00 H new TER 1751 THR B 133