USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.407) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -39:sc= 0.0853 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0262 K(o=-0.026,f=-2.2!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.521) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 TYR OH : rot -36:sc= 0.772 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.0207 K(o=-0.021,f=-2.2!) USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -19.302 -22.151 -34.856 1.00 0.00 N ATOM 2 CA ARG A 1 -19.099 -20.911 -35.660 1.00 0.00 C ATOM 3 C ARG A 1 -17.924 -20.104 -35.102 1.00 0.00 C ATOM 4 O ARG A 1 -18.040 -18.925 -34.833 1.00 0.00 O ATOM 5 CB ARG A 1 -20.406 -20.129 -35.517 1.00 0.00 C ATOM 6 CG ARG A 1 -21.306 -20.415 -36.721 1.00 0.00 C ATOM 7 CD ARG A 1 -22.443 -19.393 -36.764 1.00 0.00 C ATOM 8 NE ARG A 1 -22.379 -18.805 -38.131 1.00 0.00 N ATOM 9 CZ ARG A 1 -23.468 -18.687 -38.842 1.00 0.00 C ATOM 10 NH1 ARG A 1 -24.338 -17.758 -38.554 1.00 0.00 N ATOM 11 NH2 ARG A 1 -23.686 -19.498 -39.841 1.00 0.00 N ATOM 0 H1 ARG A 1 -20.102 -22.690 -35.245 1.00 0.00 H new ATOM 0 H2 ARG A 1 -18.441 -22.734 -34.893 1.00 0.00 H new ATOM 0 H3 ARG A 1 -19.504 -21.895 -33.868 1.00 0.00 H new ATOM 0 HA ARG A 1 -18.866 -21.128 -36.703 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -20.913 -20.413 -34.595 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -20.198 -19.061 -35.451 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -20.725 -20.367 -37.642 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -21.713 -21.424 -36.653 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -23.408 -19.867 -36.583 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -22.315 -18.628 -35.998 1.00 0.00 H new ATOM 0 HE ARG A 1 -21.485 -18.495 -38.512 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -24.167 -17.124 -37.773 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -25.189 -17.666 -39.109 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -23.006 -20.224 -40.066 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -24.537 -19.406 -40.396 1.00 0.00 H new ATOM 27 N MET A 2 -16.792 -20.731 -34.930 1.00 0.00 N ATOM 28 CA MET A 2 -15.609 -19.999 -34.392 1.00 0.00 C ATOM 29 C MET A 2 -14.548 -19.838 -35.485 1.00 0.00 C ATOM 30 O MET A 2 -14.736 -20.253 -36.611 1.00 0.00 O ATOM 31 CB MET A 2 -15.082 -20.879 -33.258 1.00 0.00 C ATOM 32 CG MET A 2 -14.663 -22.239 -33.819 1.00 0.00 C ATOM 33 SD MET A 2 -13.559 -23.063 -32.643 1.00 0.00 S ATOM 34 CE MET A 2 -13.981 -24.764 -33.089 1.00 0.00 C ATOM 0 H MET A 2 -16.635 -21.717 -35.138 1.00 0.00 H new ATOM 0 HA MET A 2 -15.863 -18.997 -34.045 1.00 0.00 H new ATOM 0 HB2 MET A 2 -14.233 -20.396 -32.774 1.00 0.00 H new ATOM 0 HB3 MET A 2 -15.851 -21.009 -32.497 1.00 0.00 H new ATOM 0 HG2 MET A 2 -15.543 -22.856 -34.002 1.00 0.00 H new ATOM 0 HG3 MET A 2 -14.160 -22.110 -34.777 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.404 -25.455 -32.474 1.00 0.00 H new ATOM 0 HE2 MET A 2 -15.045 -24.931 -32.922 1.00 0.00 H new ATOM 0 HE3 MET A 2 -13.748 -24.933 -34.140 1.00 0.00 H new ATOM 44 N LYS A 3 -13.436 -19.237 -35.162 1.00 0.00 N ATOM 45 CA LYS A 3 -12.366 -19.050 -36.184 1.00 0.00 C ATOM 46 C LYS A 3 -11.081 -19.759 -35.744 1.00 0.00 C ATOM 47 O LYS A 3 -10.437 -20.433 -36.521 1.00 0.00 O ATOM 48 CB LYS A 3 -12.147 -17.539 -36.256 1.00 0.00 C ATOM 49 CG LYS A 3 -11.058 -17.229 -37.285 1.00 0.00 C ATOM 50 CD LYS A 3 -11.602 -17.471 -38.695 1.00 0.00 C ATOM 51 CE LYS A 3 -10.658 -16.842 -39.722 1.00 0.00 C ATOM 52 NZ LYS A 3 -11.268 -17.151 -41.045 1.00 0.00 N ATOM 0 H LYS A 3 -13.222 -18.867 -34.236 1.00 0.00 H new ATOM 0 HA LYS A 3 -12.643 -19.469 -37.152 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.076 -17.039 -36.532 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.857 -17.156 -35.278 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -10.731 -16.194 -37.183 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -10.186 -17.858 -37.108 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.698 -18.541 -38.881 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.599 -17.041 -38.790 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -10.569 -15.766 -39.570 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.654 -17.259 -39.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.677 -16.752 -41.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.334 -18.182 -41.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.220 -16.736 -41.094 1.00 0.00 H new ATOM 66 N LYS A 4 -10.706 -19.611 -34.504 1.00 0.00 N ATOM 67 CA LYS A 4 -9.463 -20.275 -34.014 1.00 0.00 C ATOM 68 C LYS A 4 -9.403 -20.221 -32.485 1.00 0.00 C ATOM 69 O LYS A 4 -10.207 -19.572 -31.846 1.00 0.00 O ATOM 70 CB LYS A 4 -8.317 -19.469 -34.628 1.00 0.00 C ATOM 71 CG LYS A 4 -7.225 -20.425 -35.115 1.00 0.00 C ATOM 72 CD LYS A 4 -6.434 -19.764 -36.245 1.00 0.00 C ATOM 73 CE LYS A 4 -5.549 -20.809 -36.928 1.00 0.00 C ATOM 74 NZ LYS A 4 -4.296 -20.837 -36.122 1.00 0.00 N ATOM 0 H LYS A 4 -11.206 -19.059 -33.807 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.416 -21.327 -34.295 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.686 -18.867 -35.459 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.908 -18.778 -33.891 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.558 -20.682 -34.292 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.671 -21.356 -35.465 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.117 -19.320 -36.970 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.820 -18.955 -35.849 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.031 -21.786 -36.942 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.346 -20.538 -37.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.637 -21.531 -36.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.856 -19.895 -36.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.519 -21.104 -35.142 1.00 0.00 H new ATOM 88 N LYS A 5 -8.455 -20.895 -31.894 1.00 0.00 N ATOM 89 CA LYS A 5 -8.345 -20.879 -30.407 1.00 0.00 C ATOM 90 C LYS A 5 -7.295 -19.859 -29.965 1.00 0.00 C ATOM 91 O LYS A 5 -6.140 -20.185 -29.770 1.00 0.00 O ATOM 92 CB LYS A 5 -7.911 -22.295 -30.025 1.00 0.00 C ATOM 93 CG LYS A 5 -9.140 -23.116 -29.630 1.00 0.00 C ATOM 94 CD LYS A 5 -8.969 -24.557 -30.111 1.00 0.00 C ATOM 95 CE LYS A 5 -9.583 -25.513 -29.087 1.00 0.00 C ATOM 96 NZ LYS A 5 -11.029 -25.155 -29.047 1.00 0.00 N ATOM 0 H LYS A 5 -7.752 -21.456 -32.376 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.283 -20.597 -29.928 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.398 -22.768 -30.862 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.203 -22.259 -29.197 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.271 -23.096 -28.548 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.038 -22.680 -30.068 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.450 -24.688 -31.080 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.911 -24.783 -30.247 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.441 -26.553 -29.383 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.119 -25.394 -28.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.574 -25.954 -28.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.164 -24.322 -28.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.360 -24.938 -30.009 1.00 0.00 H new ATOM 110 N ASP A 6 -7.684 -18.623 -29.805 1.00 0.00 N ATOM 111 CA ASP A 6 -6.708 -17.582 -29.376 1.00 0.00 C ATOM 112 C ASP A 6 -6.908 -17.249 -27.894 1.00 0.00 C ATOM 113 O ASP A 6 -7.770 -16.472 -27.534 1.00 0.00 O ATOM 114 CB ASP A 6 -7.021 -16.364 -30.246 1.00 0.00 C ATOM 115 CG ASP A 6 -5.854 -15.377 -30.184 1.00 0.00 C ATOM 116 OD1 ASP A 6 -4.731 -15.827 -30.034 1.00 0.00 O ATOM 117 OD2 ASP A 6 -6.105 -14.187 -30.287 1.00 0.00 O ATOM 0 H ASP A 6 -8.636 -18.289 -29.953 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.675 -17.911 -29.491 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.193 -16.675 -31.276 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.936 -15.883 -29.901 1.00 0.00 H new ATOM 122 N GLU A 7 -6.118 -17.832 -27.034 1.00 0.00 N ATOM 123 CA GLU A 7 -6.267 -17.549 -25.577 1.00 0.00 C ATOM 124 C GLU A 7 -4.891 -17.468 -24.910 1.00 0.00 C ATOM 125 O GLU A 7 -4.005 -18.250 -25.194 1.00 0.00 O ATOM 126 CB GLU A 7 -7.063 -18.731 -25.024 1.00 0.00 C ATOM 127 CG GLU A 7 -8.267 -18.213 -24.235 1.00 0.00 C ATOM 128 CD GLU A 7 -7.887 -18.068 -22.760 1.00 0.00 C ATOM 129 OE1 GLU A 7 -6.816 -17.550 -22.493 1.00 0.00 O ATOM 130 OE2 GLU A 7 -8.675 -18.476 -21.923 1.00 0.00 O ATOM 0 H GLU A 7 -5.377 -18.490 -27.276 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.766 -16.598 -25.390 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.398 -19.371 -25.840 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.429 -19.341 -24.381 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.591 -17.252 -24.634 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.107 -18.900 -24.339 1.00 0.00 H new ATOM 137 N GLY A 8 -4.706 -16.528 -24.023 1.00 0.00 N ATOM 138 CA GLY A 8 -3.390 -16.399 -23.336 1.00 0.00 C ATOM 139 C GLY A 8 -3.579 -16.601 -21.832 1.00 0.00 C ATOM 140 O GLY A 8 -4.590 -17.106 -21.387 1.00 0.00 O ATOM 0 H GLY A 8 -5.410 -15.844 -23.745 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.689 -17.136 -23.728 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.961 -15.416 -23.531 1.00 0.00 H new ATOM 144 N SER A 9 -2.615 -16.210 -21.043 1.00 0.00 N ATOM 145 CA SER A 9 -2.745 -16.383 -19.567 1.00 0.00 C ATOM 146 C SER A 9 -1.718 -15.514 -18.838 1.00 0.00 C ATOM 147 O SER A 9 -0.725 -15.102 -19.403 1.00 0.00 O ATOM 148 CB SER A 9 -2.468 -17.864 -19.317 1.00 0.00 C ATOM 149 OG SER A 9 -1.558 -18.344 -20.298 1.00 0.00 O ATOM 0 H SER A 9 -1.745 -15.779 -21.355 1.00 0.00 H new ATOM 0 HA SER A 9 -3.728 -16.084 -19.202 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.052 -18.005 -18.319 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.398 -18.432 -19.358 1.00 0.00 H new ATOM 0 HG SER A 9 -1.377 -19.294 -20.139 1.00 0.00 H new ATOM 155 N TYR A 10 -1.950 -15.234 -17.584 1.00 0.00 N ATOM 156 CA TYR A 10 -0.989 -14.394 -16.815 1.00 0.00 C ATOM 157 C TYR A 10 -0.812 -13.034 -17.494 1.00 0.00 C ATOM 158 O TYR A 10 0.168 -12.788 -18.169 1.00 0.00 O ATOM 159 CB TYR A 10 0.325 -15.176 -16.836 1.00 0.00 C ATOM 160 CG TYR A 10 0.601 -15.728 -15.459 1.00 0.00 C ATOM 161 CD1 TYR A 10 -0.053 -16.889 -15.026 1.00 0.00 C ATOM 162 CD2 TYR A 10 1.510 -15.079 -14.613 1.00 0.00 C ATOM 163 CE1 TYR A 10 0.201 -17.401 -13.748 1.00 0.00 C ATOM 164 CE2 TYR A 10 1.765 -15.592 -13.334 1.00 0.00 C ATOM 165 CZ TYR A 10 1.110 -16.753 -12.902 1.00 0.00 C ATOM 166 OH TYR A 10 1.360 -17.259 -11.642 1.00 0.00 O ATOM 0 H TYR A 10 -2.765 -15.551 -17.059 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.333 -14.200 -15.799 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.266 -15.988 -17.560 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.142 -14.527 -17.150 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.753 -17.389 -15.678 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.014 -14.184 -14.946 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.304 -18.296 -13.414 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.466 -15.093 -12.682 1.00 0.00 H new ATOM 0 HH TYR A 10 0.523 -17.583 -11.248 1.00 0.00 H new ATOM 176 N ASP A 11 -1.754 -12.147 -17.322 1.00 0.00 N ATOM 177 CA ASP A 11 -1.633 -10.806 -17.960 1.00 0.00 C ATOM 178 C ASP A 11 -1.632 -9.710 -16.891 1.00 0.00 C ATOM 179 O ASP A 11 -2.278 -8.692 -17.028 1.00 0.00 O ATOM 180 CB ASP A 11 -2.861 -10.681 -18.861 1.00 0.00 C ATOM 181 CG ASP A 11 -2.470 -10.988 -20.308 1.00 0.00 C ATOM 182 OD1 ASP A 11 -1.544 -11.759 -20.500 1.00 0.00 O ATOM 183 OD2 ASP A 11 -3.105 -10.447 -21.199 1.00 0.00 O ATOM 0 H ASP A 11 -2.599 -12.292 -16.769 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.706 -10.699 -18.523 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.639 -11.369 -18.530 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.275 -9.675 -18.791 1.00 0.00 H new ATOM 188 N LEU A 12 -0.902 -9.915 -15.829 1.00 0.00 N ATOM 189 CA LEU A 12 -0.845 -8.891 -14.749 1.00 0.00 C ATOM 190 C LEU A 12 0.203 -7.827 -15.085 1.00 0.00 C ATOM 191 O LEU A 12 0.633 -7.076 -14.231 1.00 0.00 O ATOM 192 CB LEU A 12 -0.440 -9.662 -13.491 1.00 0.00 C ATOM 193 CG LEU A 12 0.889 -10.378 -13.738 1.00 0.00 C ATOM 194 CD1 LEU A 12 1.855 -10.076 -12.591 1.00 0.00 C ATOM 195 CD2 LEU A 12 0.646 -11.886 -13.816 1.00 0.00 C ATOM 0 H LEU A 12 -0.341 -10.750 -15.663 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.796 -8.373 -14.621 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.346 -8.979 -12.647 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.212 -10.386 -13.230 1.00 0.00 H new ATOM 0 HG LEU A 12 1.321 -10.029 -14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.801 -10.587 -12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.028 -9.001 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.425 -10.424 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.592 -12.398 -13.992 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.214 -12.234 -12.878 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.041 -12.102 -14.634 1.00 0.00 H new ATOM 207 N GLY A 13 0.616 -7.754 -16.321 1.00 0.00 N ATOM 208 CA GLY A 13 1.631 -6.735 -16.704 1.00 0.00 C ATOM 209 C GLY A 13 0.999 -5.346 -16.620 1.00 0.00 C ATOM 210 O GLY A 13 1.677 -4.340 -16.666 1.00 0.00 O ATOM 0 H GLY A 13 0.295 -8.355 -17.080 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.494 -6.796 -16.041 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.991 -6.924 -17.715 1.00 0.00 H new ATOM 214 N LYS A 14 -0.297 -5.285 -16.487 1.00 0.00 N ATOM 215 CA LYS A 14 -0.974 -3.964 -16.388 1.00 0.00 C ATOM 216 C LYS A 14 -0.668 -3.327 -15.031 1.00 0.00 C ATOM 217 O LYS A 14 -0.586 -4.002 -14.024 1.00 0.00 O ATOM 218 CB LYS A 14 -2.465 -4.271 -16.514 1.00 0.00 C ATOM 219 CG LYS A 14 -2.719 -5.068 -17.794 1.00 0.00 C ATOM 220 CD LYS A 14 -3.951 -4.510 -18.509 1.00 0.00 C ATOM 221 CE LYS A 14 -4.376 -5.470 -19.622 1.00 0.00 C ATOM 222 NZ LYS A 14 -5.796 -5.804 -19.321 1.00 0.00 N ATOM 0 H LYS A 14 -0.916 -6.094 -16.443 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.640 -3.265 -17.155 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.804 -4.838 -15.647 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.037 -3.343 -16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.849 -5.011 -18.449 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.870 -6.121 -17.555 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.767 -4.376 -17.799 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.728 -3.528 -18.927 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.279 -5.005 -20.603 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.753 -6.365 -19.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.159 -6.460 -20.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.856 -6.252 -18.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.366 -4.934 -19.326 1.00 0.00 H new ATOM 236 N LYS A 15 -0.496 -2.035 -14.991 1.00 0.00 N ATOM 237 CA LYS A 15 -0.193 -1.368 -13.693 1.00 0.00 C ATOM 238 C LYS A 15 -0.758 0.053 -13.680 1.00 0.00 C ATOM 239 O LYS A 15 -0.970 0.647 -14.719 1.00 0.00 O ATOM 240 CB LYS A 15 1.334 -1.336 -13.612 1.00 0.00 C ATOM 241 CG LYS A 15 1.820 -2.448 -12.680 1.00 0.00 C ATOM 242 CD LYS A 15 2.681 -1.843 -11.568 1.00 0.00 C ATOM 243 CE LYS A 15 2.318 -2.493 -10.231 1.00 0.00 C ATOM 244 NZ LYS A 15 2.412 -1.392 -9.232 1.00 0.00 N ATOM 0 H LYS A 15 -0.552 -1.413 -15.798 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.638 -1.893 -12.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.764 -1.466 -14.605 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.669 -0.366 -13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.968 -2.974 -12.249 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.397 -3.182 -13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.738 -1.999 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.522 -0.766 -11.516 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.315 -2.918 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.002 -3.306 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.177 -1.759 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.380 -1.012 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.745 -0.635 -9.485 1.00 0.00 H new ATOM 258 N PRO A 16 -0.980 0.551 -12.496 1.00 0.00 N ATOM 259 CA PRO A 16 -1.523 1.920 -12.338 1.00 0.00 C ATOM 260 C PRO A 16 -0.445 2.955 -12.674 1.00 0.00 C ATOM 261 O PRO A 16 0.734 2.662 -12.660 1.00 0.00 O ATOM 262 CB PRO A 16 -1.906 1.986 -10.862 1.00 0.00 C ATOM 263 CG PRO A 16 -1.038 0.971 -10.190 1.00 0.00 C ATOM 264 CD PRO A 16 -0.748 -0.106 -11.205 1.00 0.00 C ATOM 0 HA PRO A 16 -2.365 2.131 -12.997 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.736 2.982 -10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.962 1.759 -10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.113 1.428 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.539 0.553 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.276 -0.469 -11.120 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.403 -0.967 -11.072 1.00 0.00 H new ATOM 272 N ILE A 17 -0.839 4.161 -12.973 1.00 0.00 N ATOM 273 CA ILE A 17 0.157 5.209 -13.310 1.00 0.00 C ATOM 274 C ILE A 17 -0.459 6.596 -13.133 1.00 0.00 C ATOM 275 O ILE A 17 -0.688 7.304 -14.088 1.00 0.00 O ATOM 276 CB ILE A 17 0.515 4.968 -14.776 1.00 0.00 C ATOM 277 CG1 ILE A 17 -0.762 4.736 -15.587 1.00 0.00 C ATOM 278 CG2 ILE A 17 1.422 3.741 -14.892 1.00 0.00 C ATOM 279 CD1 ILE A 17 -0.437 4.783 -17.081 1.00 0.00 C ATOM 0 H ILE A 17 -1.812 4.465 -12.998 1.00 0.00 H new ATOM 0 HA ILE A 17 1.035 5.163 -12.666 1.00 0.00 H new ATOM 0 HB ILE A 17 1.038 5.842 -15.164 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.198 3.771 -15.330 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.504 5.496 -15.342 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.675 3.573 -15.939 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.335 3.908 -14.321 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.903 2.867 -14.499 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.348 4.618 -17.657 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.021 5.759 -17.332 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.289 4.006 -17.320 1.00 0.00 H new ATOM 291 N TYR A 18 -0.729 6.990 -11.919 1.00 0.00 N ATOM 292 CA TYR A 18 -1.332 8.335 -11.689 1.00 0.00 C ATOM 293 C TYR A 18 -0.294 9.433 -11.939 1.00 0.00 C ATOM 294 O TYR A 18 0.616 9.274 -12.728 1.00 0.00 O ATOM 295 CB TYR A 18 -1.762 8.330 -10.220 1.00 0.00 C ATOM 296 CG TYR A 18 -3.184 8.821 -10.105 1.00 0.00 C ATOM 297 CD1 TYR A 18 -4.248 7.961 -10.403 1.00 0.00 C ATOM 298 CD2 TYR A 18 -3.441 10.138 -9.699 1.00 0.00 C ATOM 299 CE1 TYR A 18 -5.569 8.416 -10.296 1.00 0.00 C ATOM 300 CE2 TYR A 18 -4.762 10.593 -9.592 1.00 0.00 C ATOM 301 CZ TYR A 18 -5.825 9.733 -9.891 1.00 0.00 C ATOM 302 OH TYR A 18 -7.126 10.181 -9.784 1.00 0.00 O ATOM 0 H TYR A 18 -0.559 6.440 -11.077 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.168 8.531 -12.360 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.680 7.323 -9.811 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.099 8.967 -9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.050 6.946 -10.716 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.621 10.802 -9.469 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -6.389 7.752 -10.526 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.960 11.607 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 18 -7.127 11.116 -9.491 1.00 0.00 H new ATOM 312 N LYS A 19 -0.425 10.547 -11.271 1.00 0.00 N ATOM 313 CA LYS A 19 0.553 11.657 -11.467 1.00 0.00 C ATOM 314 C LYS A 19 0.439 12.224 -12.884 1.00 0.00 C ATOM 315 O LYS A 19 0.764 11.567 -13.854 1.00 0.00 O ATOM 316 CB LYS A 19 1.926 11.019 -11.254 1.00 0.00 C ATOM 317 CG LYS A 19 2.810 11.964 -10.439 1.00 0.00 C ATOM 318 CD LYS A 19 4.172 11.309 -10.199 1.00 0.00 C ATOM 319 CE LYS A 19 5.275 12.192 -10.787 1.00 0.00 C ATOM 320 NZ LYS A 19 6.282 11.238 -11.331 1.00 0.00 N ATOM 0 H LYS A 19 -1.167 10.737 -10.598 1.00 0.00 H new ATOM 0 HA LYS A 19 0.377 12.485 -10.781 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.819 10.067 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.393 10.807 -12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.937 12.908 -10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.333 12.195 -9.487 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.336 11.167 -9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.198 10.321 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.885 12.843 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.713 12.837 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.071 11.769 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.641 10.636 -10.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.838 10.642 -12.059 1.00 0.00 H new ATOM 334 N LYS A 20 -0.017 13.440 -13.012 1.00 0.00 N ATOM 335 CA LYS A 20 -0.149 14.050 -14.366 1.00 0.00 C ATOM 336 C LYS A 20 0.545 15.416 -14.398 1.00 0.00 C ATOM 337 O LYS A 20 1.148 15.838 -13.431 1.00 0.00 O ATOM 338 CB LYS A 20 -1.654 14.202 -14.590 1.00 0.00 C ATOM 339 CG LYS A 20 -1.946 14.236 -16.091 1.00 0.00 C ATOM 340 CD LYS A 20 -2.563 15.585 -16.463 1.00 0.00 C ATOM 341 CE LYS A 20 -3.379 15.436 -17.750 1.00 0.00 C ATOM 342 NZ LYS A 20 -4.149 16.704 -17.867 1.00 0.00 N ATOM 0 H LYS A 20 -0.304 14.038 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 20 0.315 13.441 -15.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.187 13.373 -14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.012 15.117 -14.118 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.026 14.078 -16.654 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.627 13.427 -16.358 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.201 15.940 -15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.779 16.330 -16.601 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.731 15.287 -18.613 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.044 14.574 -17.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.734 16.677 -18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.762 16.816 -17.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.490 17.507 -17.922 1.00 0.00 H new ATOM 356 N ALA A 21 0.467 16.109 -15.501 1.00 0.00 N ATOM 357 CA ALA A 21 1.124 17.446 -15.590 1.00 0.00 C ATOM 358 C ALA A 21 0.148 18.481 -16.156 1.00 0.00 C ATOM 359 O ALA A 21 0.417 19.103 -17.165 1.00 0.00 O ATOM 360 CB ALA A 21 2.304 17.245 -16.542 1.00 0.00 C ATOM 0 H ALA A 21 -0.022 15.809 -16.344 1.00 0.00 H new ATOM 0 HA ALA A 21 1.444 17.813 -14.615 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.840 18.186 -16.660 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.978 16.492 -16.132 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.936 16.913 -17.513 1.00 0.00 H new ATOM 366 N PRO A 22 -0.958 18.629 -15.480 1.00 0.00 N ATOM 367 CA PRO A 22 -1.995 19.597 -15.914 1.00 0.00 C ATOM 368 C PRO A 22 -1.552 21.029 -15.606 1.00 0.00 C ATOM 369 O PRO A 22 -0.559 21.253 -14.942 1.00 0.00 O ATOM 370 CB PRO A 22 -3.213 19.214 -15.079 1.00 0.00 C ATOM 371 CG PRO A 22 -2.656 18.541 -13.863 1.00 0.00 C ATOM 372 CD PRO A 22 -1.344 17.914 -14.260 1.00 0.00 C ATOM 0 HA PRO A 22 -2.191 19.564 -16.986 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.799 20.093 -14.810 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.875 18.547 -15.631 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.510 19.261 -13.058 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.347 17.784 -13.492 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.595 18.029 -13.477 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.453 16.845 -14.442 1.00 0.00 H new ATOM 380 N THR A 23 -2.282 22.001 -16.078 1.00 0.00 N ATOM 381 CA THR A 23 -1.904 23.417 -15.809 1.00 0.00 C ATOM 382 C THR A 23 -2.525 23.886 -14.492 1.00 0.00 C ATOM 383 O THR A 23 -1.896 23.862 -13.452 1.00 0.00 O ATOM 384 CB THR A 23 -2.473 24.211 -16.986 1.00 0.00 C ATOM 385 OG1 THR A 23 -1.811 23.820 -18.182 1.00 0.00 O ATOM 386 CG2 THR A 23 -2.256 25.707 -16.748 1.00 0.00 C ATOM 0 H THR A 23 -3.125 21.876 -16.639 1.00 0.00 H new ATOM 0 HA THR A 23 -0.826 23.547 -15.716 1.00 0.00 H new ATOM 0 HB THR A 23 -3.541 24.011 -17.077 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.175 24.326 -18.938 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.662 26.272 -17.587 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.762 26.007 -15.830 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.189 25.910 -16.656 1.00 0.00 H new ATOM 394 N ASN A 24 -3.753 24.308 -14.532 1.00 0.00 N ATOM 395 CA ASN A 24 -4.427 24.779 -13.288 1.00 0.00 C ATOM 396 C ASN A 24 -5.945 24.643 -13.430 1.00 0.00 C ATOM 397 O ASN A 24 -6.566 25.315 -14.231 1.00 0.00 O ATOM 398 CB ASN A 24 -4.030 26.250 -13.157 1.00 0.00 C ATOM 399 CG ASN A 24 -4.263 26.718 -11.719 1.00 0.00 C ATOM 400 OD1 ASN A 24 -4.835 26.003 -10.920 1.00 0.00 O ATOM 401 ND2 ASN A 24 -3.840 27.897 -11.353 1.00 0.00 N ATOM 0 H ASN A 24 -4.325 24.349 -15.375 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.135 24.199 -12.412 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.982 26.380 -13.427 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.615 26.858 -13.847 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.989 28.218 -10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.360 28.497 -12.023 1.00 0.00 H new ATOM 408 N GLU A 25 -6.550 23.777 -12.663 1.00 0.00 N ATOM 409 CA GLU A 25 -8.028 23.602 -12.761 1.00 0.00 C ATOM 410 C GLU A 25 -8.586 23.048 -11.446 1.00 0.00 C ATOM 411 O GLU A 25 -7.850 22.640 -10.570 1.00 0.00 O ATOM 412 CB GLU A 25 -8.232 22.597 -13.895 1.00 0.00 C ATOM 413 CG GLU A 25 -7.411 21.337 -13.615 1.00 0.00 C ATOM 414 CD GLU A 25 -7.673 20.301 -14.711 1.00 0.00 C ATOM 415 OE1 GLU A 25 -8.784 19.802 -14.773 1.00 0.00 O ATOM 416 OE2 GLU A 25 -6.758 20.025 -15.469 1.00 0.00 O ATOM 0 H GLU A 25 -6.086 23.184 -11.974 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.543 24.544 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.288 22.343 -13.984 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.929 23.038 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.350 21.583 -13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.677 20.926 -12.641 1.00 0.00 H new ATOM 423 N PHE A 26 -9.883 23.033 -11.303 1.00 0.00 N ATOM 424 CA PHE A 26 -10.490 22.507 -10.048 1.00 0.00 C ATOM 425 C PHE A 26 -9.781 23.101 -8.827 1.00 0.00 C ATOM 426 O PHE A 26 -9.017 22.436 -8.156 1.00 0.00 O ATOM 427 CB PHE A 26 -10.277 20.994 -10.107 1.00 0.00 C ATOM 428 CG PHE A 26 -10.908 20.351 -8.896 1.00 0.00 C ATOM 429 CD1 PHE A 26 -12.297 20.179 -8.837 1.00 0.00 C ATOM 430 CD2 PHE A 26 -10.103 19.924 -7.832 1.00 0.00 C ATOM 431 CE1 PHE A 26 -12.883 19.582 -7.713 1.00 0.00 C ATOM 432 CE2 PHE A 26 -10.688 19.326 -6.707 1.00 0.00 C ATOM 433 CZ PHE A 26 -12.078 19.155 -6.648 1.00 0.00 C ATOM 0 H PHE A 26 -10.549 23.363 -12.002 1.00 0.00 H new ATOM 0 HA PHE A 26 -11.545 22.767 -9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.717 20.589 -11.018 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -9.211 20.767 -10.139 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -12.917 20.507 -9.659 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.032 20.055 -7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.954 19.451 -7.667 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.068 18.997 -5.886 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.529 18.694 -5.782 1.00 0.00 H new ATOM 443 N TYR A 27 -10.030 24.348 -8.535 1.00 0.00 N ATOM 444 CA TYR A 27 -9.372 24.984 -7.359 1.00 0.00 C ATOM 445 C TYR A 27 -10.391 25.203 -6.238 1.00 0.00 C ATOM 446 O TYR A 27 -11.459 25.740 -6.454 1.00 0.00 O ATOM 447 CB TYR A 27 -8.847 26.324 -7.877 1.00 0.00 C ATOM 448 CG TYR A 27 -7.745 26.816 -6.970 1.00 0.00 C ATOM 449 CD1 TYR A 27 -8.062 27.378 -5.725 1.00 0.00 C ATOM 450 CD2 TYR A 27 -6.407 26.713 -7.372 1.00 0.00 C ATOM 451 CE1 TYR A 27 -7.039 27.835 -4.883 1.00 0.00 C ATOM 452 CE2 TYR A 27 -5.384 27.169 -6.530 1.00 0.00 C ATOM 453 CZ TYR A 27 -5.701 27.731 -5.285 1.00 0.00 C ATOM 454 OH TYR A 27 -4.694 28.180 -4.455 1.00 0.00 O ATOM 0 H TYR A 27 -10.661 24.954 -9.060 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.575 24.366 -6.946 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.472 26.211 -8.894 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.656 27.054 -7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.093 27.459 -5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -6.164 26.282 -8.332 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.282 28.268 -3.924 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.353 27.088 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.826 28.033 -4.885 1.00 0.00 H new ATOM 464 N ALA A 28 -10.070 24.792 -5.042 1.00 0.00 N ATOM 465 CA ALA A 28 -11.022 24.978 -3.910 1.00 0.00 C ATOM 466 C ALA A 28 -10.983 26.428 -3.419 1.00 0.00 C ATOM 467 O ALA A 28 -10.005 26.791 -2.786 1.00 0.00 O ATOM 468 CB ALA A 28 -10.530 24.028 -2.818 1.00 0.00 C ATOM 469 OXT ALA A 28 -11.930 27.149 -3.686 1.00 0.00 O ATOM 0 H ALA A 28 -9.191 24.336 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.052 24.768 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.181 24.106 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.546 23.004 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.512 24.295 -2.535 1.00 0.00 H new TER 475 ALA A 28 ATOM 476 N ARG B 1 12.525 -26.662 2.218 1.00 0.00 N ATOM 477 CA ARG B 1 12.357 -25.591 3.243 1.00 0.00 C ATOM 478 C ARG B 1 11.245 -24.626 2.824 1.00 0.00 C ATOM 479 O ARG B 1 11.432 -23.425 2.790 1.00 0.00 O ATOM 480 CB ARG B 1 13.705 -24.871 3.289 1.00 0.00 C ATOM 481 CG ARG B 1 14.548 -25.435 4.435 1.00 0.00 C ATOM 482 CD ARG B 1 15.733 -24.506 4.704 1.00 0.00 C ATOM 483 NE ARG B 1 15.653 -24.192 6.157 1.00 0.00 N ATOM 484 CZ ARG B 1 16.720 -24.276 6.904 1.00 0.00 C ATOM 485 NH1 ARG B 1 17.647 -23.360 6.823 1.00 0.00 N ATOM 486 NH2 ARG B 1 16.861 -25.276 7.731 1.00 0.00 N ATOM 0 H1 ARG B 1 13.282 -27.310 2.514 1.00 0.00 H new ATOM 0 H2 ARG B 1 11.635 -27.191 2.120 1.00 0.00 H new ATOM 0 H3 ARG B 1 12.775 -26.232 1.305 1.00 0.00 H new ATOM 0 HA ARG B 1 12.077 -25.992 4.217 1.00 0.00 H new ATOM 0 HB2 ARG B 1 14.229 -24.998 2.342 1.00 0.00 H new ATOM 0 HB3 ARG B 1 13.553 -23.801 3.428 1.00 0.00 H new ATOM 0 HG2 ARG B 1 13.939 -25.534 5.334 1.00 0.00 H new ATOM 0 HG3 ARG B 1 14.905 -26.433 4.180 1.00 0.00 H new ATOM 0 HD2 ARG B 1 16.678 -24.989 4.456 1.00 0.00 H new ATOM 0 HD3 ARG B 1 15.670 -23.601 4.100 1.00 0.00 H new ATOM 0 HE ARG B 1 14.763 -23.911 6.569 1.00 0.00 H new ATOM 0 HH11 ARG B 1 17.537 -22.579 6.176 1.00 0.00 H new ATOM 0 HH12 ARG B 1 18.481 -23.425 7.407 1.00 0.00 H new ATOM 0 HH21 ARG B 1 16.137 -25.992 7.794 1.00 0.00 H new ATOM 0 HH22 ARG B 1 17.695 -25.341 8.315 1.00 0.00 H new ATOM 502 N MET B 2 10.089 -25.139 2.505 1.00 0.00 N ATOM 503 CA MET B 2 8.966 -24.250 2.091 1.00 0.00 C ATOM 504 C MET B 2 7.878 -24.241 3.168 1.00 0.00 C ATOM 505 O MET B 2 8.004 -24.876 4.196 1.00 0.00 O ATOM 506 CB MET B 2 8.433 -24.860 0.794 1.00 0.00 C ATOM 507 CG MET B 2 7.927 -26.278 1.068 1.00 0.00 C ATOM 508 SD MET B 2 6.824 -26.794 -0.271 1.00 0.00 S ATOM 509 CE MET B 2 7.144 -28.572 -0.154 1.00 0.00 C ATOM 0 H MET B 2 9.873 -26.136 2.513 1.00 0.00 H new ATOM 0 HA MET B 2 9.285 -23.217 1.952 1.00 0.00 H new ATOM 0 HB2 MET B 2 7.626 -24.245 0.395 1.00 0.00 H new ATOM 0 HB3 MET B 2 9.220 -24.882 0.040 1.00 0.00 H new ATOM 0 HG2 MET B 2 8.768 -26.967 1.147 1.00 0.00 H new ATOM 0 HG3 MET B 2 7.399 -26.309 2.021 1.00 0.00 H new ATOM 0 HE1 MET B 2 6.554 -29.098 -0.905 1.00 0.00 H new ATOM 0 HE2 MET B 2 8.203 -28.763 -0.325 1.00 0.00 H new ATOM 0 HE3 MET B 2 6.867 -28.927 0.839 1.00 0.00 H new ATOM 519 N LYS B 3 6.809 -23.527 2.940 1.00 0.00 N ATOM 520 CA LYS B 3 5.716 -23.480 3.953 1.00 0.00 C ATOM 521 C LYS B 3 4.414 -24.015 3.352 1.00 0.00 C ATOM 522 O LYS B 3 3.708 -24.789 3.966 1.00 0.00 O ATOM 523 CB LYS B 3 5.572 -22.002 4.314 1.00 0.00 C ATOM 524 CG LYS B 3 4.464 -21.836 5.354 1.00 0.00 C ATOM 525 CD LYS B 3 4.944 -22.377 6.703 1.00 0.00 C ATOM 526 CE LYS B 3 4.001 -21.902 7.810 1.00 0.00 C ATOM 527 NZ LYS B 3 4.549 -22.497 9.061 1.00 0.00 N ATOM 0 H LYS B 3 6.645 -22.975 2.098 1.00 0.00 H new ATOM 0 HA LYS B 3 5.937 -24.093 4.827 1.00 0.00 H new ATOM 0 HB2 LYS B 3 6.514 -21.619 4.707 1.00 0.00 H new ATOM 0 HB3 LYS B 3 5.338 -21.420 3.422 1.00 0.00 H new ATOM 0 HG2 LYS B 3 4.193 -20.784 5.448 1.00 0.00 H new ATOM 0 HG3 LYS B 3 3.568 -22.369 5.035 1.00 0.00 H new ATOM 0 HD2 LYS B 3 4.974 -23.466 6.680 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.959 -22.034 6.904 1.00 0.00 H new ATOM 0 HE2 LYS B 3 3.976 -20.814 7.868 1.00 0.00 H new ATOM 0 HE3 LYS B 3 2.979 -22.235 7.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 3.956 -22.217 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.554 -23.534 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.520 -22.157 9.211 1.00 0.00 H new ATOM 541 N LYS B 4 4.091 -23.608 2.155 1.00 0.00 N ATOM 542 CA LYS B 4 2.834 -24.093 1.516 1.00 0.00 C ATOM 543 C LYS B 4 2.828 -23.739 0.026 1.00 0.00 C ATOM 544 O LYS B 4 3.686 -23.025 -0.454 1.00 0.00 O ATOM 545 CB LYS B 4 1.709 -23.359 2.247 1.00 0.00 C ATOM 546 CG LYS B 4 0.554 -24.325 2.508 1.00 0.00 C ATOM 547 CD LYS B 4 -0.242 -23.851 3.727 1.00 0.00 C ATOM 548 CE LYS B 4 -1.204 -24.955 4.171 1.00 0.00 C ATOM 549 NZ LYS B 4 -2.427 -24.753 3.345 1.00 0.00 N ATOM 0 H LYS B 4 4.643 -22.961 1.592 1.00 0.00 H new ATOM 0 HA LYS B 4 2.726 -25.175 1.585 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.077 -22.953 3.189 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.363 -22.515 1.650 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -0.095 -24.377 1.634 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.938 -25.330 2.680 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.437 -23.597 4.541 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.798 -22.946 3.482 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -0.775 -25.943 4.006 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -1.429 -24.879 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -3.135 -25.473 3.592 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -2.817 -23.807 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -2.183 -24.838 2.338 1.00 0.00 H new ATOM 563 N LYS B 5 1.870 -24.233 -0.708 1.00 0.00 N ATOM 564 CA LYS B 5 1.813 -23.924 -2.166 1.00 0.00 C ATOM 565 C LYS B 5 0.833 -22.777 -2.425 1.00 0.00 C ATOM 566 O LYS B 5 -0.328 -22.992 -2.709 1.00 0.00 O ATOM 567 CB LYS B 5 1.321 -25.212 -2.825 1.00 0.00 C ATOM 568 CG LYS B 5 2.519 -26.008 -3.344 1.00 0.00 C ATOM 569 CD LYS B 5 2.256 -27.504 -3.158 1.00 0.00 C ATOM 570 CE LYS B 5 2.857 -28.277 -4.334 1.00 0.00 C ATOM 571 NZ LYS B 5 4.319 -28.002 -4.266 1.00 0.00 N ATOM 0 H LYS B 5 1.124 -24.837 -0.363 1.00 0.00 H new ATOM 0 HA LYS B 5 2.779 -23.610 -2.560 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.758 -25.808 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.643 -24.977 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.688 -25.786 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.422 -25.717 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.694 -27.848 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS B 5 1.184 -27.691 -3.096 1.00 0.00 H new ATOM 0 HE2 LYS B 5 2.651 -29.344 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS B 5 2.436 -27.944 -5.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 4.837 -28.751 -4.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.521 -27.084 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.622 -27.979 -3.271 1.00 0.00 H new ATOM 585 N ASP B 6 1.292 -21.559 -2.332 1.00 0.00 N ATOM 586 CA ASP B 6 0.387 -20.399 -2.574 1.00 0.00 C ATOM 587 C ASP B 6 0.656 -19.799 -3.957 1.00 0.00 C ATOM 588 O ASP B 6 1.569 -19.019 -4.138 1.00 0.00 O ATOM 589 CB ASP B 6 0.732 -19.394 -1.475 1.00 0.00 C ATOM 590 CG ASP B 6 -0.380 -18.348 -1.372 1.00 0.00 C ATOM 591 OD1 ASP B 6 -1.519 -18.696 -1.636 1.00 0.00 O ATOM 592 OD2 ASP B 6 -0.074 -17.218 -1.032 1.00 0.00 O ATOM 0 H ASP B 6 2.255 -21.317 -2.099 1.00 0.00 H new ATOM 0 HA ASP B 6 -0.665 -20.682 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP B 6 0.851 -19.908 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP B 6 1.683 -18.909 -1.697 1.00 0.00 H new ATOM 597 N GLU B 7 -0.132 -20.159 -4.933 1.00 0.00 N ATOM 598 CA GLU B 7 0.081 -19.609 -6.304 1.00 0.00 C ATOM 599 C GLU B 7 -1.264 -19.322 -6.976 1.00 0.00 C ATOM 600 O GLU B 7 -2.197 -20.093 -6.875 1.00 0.00 O ATOM 601 CB GLU B 7 0.833 -20.705 -7.058 1.00 0.00 C ATOM 602 CG GLU B 7 2.090 -20.113 -7.700 1.00 0.00 C ATOM 603 CD GLU B 7 1.771 -19.663 -9.127 1.00 0.00 C ATOM 604 OE1 GLU B 7 0.738 -19.042 -9.314 1.00 0.00 O ATOM 605 OE2 GLU B 7 2.566 -19.946 -10.007 1.00 0.00 O ATOM 0 H GLU B 7 -0.913 -20.809 -4.842 1.00 0.00 H new ATOM 0 HA GLU B 7 0.634 -18.670 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.105 -21.510 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU B 7 0.191 -21.140 -7.824 1.00 0.00 H new ATOM 0 HG2 GLU B 7 2.448 -19.268 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU B 7 2.889 -20.854 -7.711 1.00 0.00 H new ATOM 612 N GLY B 8 -1.368 -18.219 -7.666 1.00 0.00 N ATOM 613 CA GLY B 8 -2.649 -17.883 -8.348 1.00 0.00 C ATOM 614 C GLY B 8 -2.418 -17.800 -9.857 1.00 0.00 C ATOM 615 O GLY B 8 -1.418 -18.265 -10.367 1.00 0.00 O ATOM 0 H GLY B 8 -0.620 -17.536 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.401 -18.640 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.033 -16.933 -7.976 1.00 0.00 H new ATOM 619 N SER B 9 -3.333 -17.211 -10.578 1.00 0.00 N ATOM 620 CA SER B 9 -3.160 -17.102 -12.055 1.00 0.00 C ATOM 621 C SER B 9 -4.113 -16.049 -12.626 1.00 0.00 C ATOM 622 O SER B 9 -5.103 -15.696 -12.016 1.00 0.00 O ATOM 623 CB SER B 9 -3.506 -18.487 -12.598 1.00 0.00 C ATOM 624 OG SER B 9 -4.474 -19.094 -11.752 1.00 0.00 O ATOM 0 H SER B 9 -4.191 -16.801 -10.209 1.00 0.00 H new ATOM 0 HA SER B 9 -2.150 -16.797 -12.329 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.893 -18.406 -13.614 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.610 -19.106 -12.647 1.00 0.00 H new ATOM 0 HG SER B 9 -4.700 -19.983 -12.098 1.00 0.00 H new ATOM 630 N TYR B 10 -3.822 -15.548 -13.796 1.00 0.00 N ATOM 631 CA TYR B 10 -4.711 -14.520 -14.409 1.00 0.00 C ATOM 632 C TYR B 10 -4.839 -13.308 -13.485 1.00 0.00 C ATOM 633 O TYR B 10 -5.832 -13.136 -12.804 1.00 0.00 O ATOM 634 CB TYR B 10 -6.064 -15.211 -14.575 1.00 0.00 C ATOM 635 CG TYR B 10 -6.319 -15.472 -16.040 1.00 0.00 C ATOM 636 CD1 TYR B 10 -5.712 -16.562 -16.674 1.00 0.00 C ATOM 637 CD2 TYR B 10 -7.163 -14.621 -16.765 1.00 0.00 C ATOM 638 CE1 TYR B 10 -5.947 -16.804 -18.033 1.00 0.00 C ATOM 639 CE2 TYR B 10 -7.400 -14.861 -18.125 1.00 0.00 C ATOM 640 CZ TYR B 10 -6.792 -15.953 -18.759 1.00 0.00 C ATOM 641 OH TYR B 10 -7.023 -16.190 -20.099 1.00 0.00 O ATOM 0 H TYR B 10 -3.008 -15.806 -14.353 1.00 0.00 H new ATOM 0 HA TYR B 10 -4.321 -14.154 -15.359 1.00 0.00 H new ATOM 0 HB2 TYR B 10 -6.076 -16.149 -14.020 1.00 0.00 H new ATOM 0 HB3 TYR B 10 -6.856 -14.587 -14.162 1.00 0.00 H new ATOM 0 HD1 TYR B 10 -5.061 -17.218 -16.114 1.00 0.00 H new ATOM 0 HD2 TYR B 10 -7.631 -13.780 -16.276 1.00 0.00 H new ATOM 0 HE1 TYR B 10 -5.478 -17.645 -18.521 1.00 0.00 H new ATOM 0 HE2 TYR B 10 -8.051 -14.205 -18.684 1.00 0.00 H new ATOM 0 HH TYR B 10 -6.204 -16.528 -20.517 1.00 0.00 H new ATOM 651 N ASP B 11 -3.845 -12.463 -13.455 1.00 0.00 N ATOM 652 CA ASP B 11 -3.915 -11.263 -12.576 1.00 0.00 C ATOM 653 C ASP B 11 -3.821 -9.989 -13.415 1.00 0.00 C ATOM 654 O ASP B 11 -3.105 -9.066 -13.085 1.00 0.00 O ATOM 655 CB ASP B 11 -2.713 -11.381 -11.638 1.00 0.00 C ATOM 656 CG ASP B 11 -3.171 -11.940 -10.290 1.00 0.00 C ATOM 657 OD1 ASP B 11 -4.142 -12.679 -10.276 1.00 0.00 O ATOM 658 OD2 ASP B 11 -2.541 -11.621 -9.296 1.00 0.00 O ATOM 0 H ASP B 11 -2.988 -12.552 -14.001 1.00 0.00 H new ATOM 0 HA ASP B 11 -4.854 -11.211 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP B 11 -1.958 -12.034 -12.077 1.00 0.00 H new ATOM 0 HB3 ASP B 11 -2.249 -10.405 -11.500 1.00 0.00 H new ATOM 663 N LEU B 12 -4.547 -9.934 -14.495 1.00 0.00 N ATOM 664 CA LEU B 12 -4.510 -8.723 -15.359 1.00 0.00 C ATOM 665 C LEU B 12 -5.513 -7.686 -14.850 1.00 0.00 C ATOM 666 O LEU B 12 -5.878 -6.765 -15.553 1.00 0.00 O ATOM 667 CB LEU B 12 -4.906 -9.212 -16.751 1.00 0.00 C ATOM 668 CG LEU B 12 -6.277 -9.885 -16.685 1.00 0.00 C ATOM 669 CD1 LEU B 12 -7.180 -9.309 -17.777 1.00 0.00 C ATOM 670 CD2 LEU B 12 -6.114 -11.391 -16.899 1.00 0.00 C ATOM 0 H LEU B 12 -5.166 -10.678 -14.818 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.529 -8.247 -15.361 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -4.934 -8.374 -17.448 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.162 -9.915 -17.126 1.00 0.00 H new ATOM 0 HG LEU B 12 -6.726 -9.703 -15.709 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -8.158 -9.788 -17.731 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.294 -8.236 -17.626 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -6.732 -9.492 -18.754 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -7.091 -11.873 -16.852 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -5.666 -11.573 -17.876 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -5.469 -11.801 -16.122 1.00 0.00 H new ATOM 682 N GLY B 13 -5.958 -7.828 -13.632 1.00 0.00 N ATOM 683 CA GLY B 13 -6.932 -6.847 -13.080 1.00 0.00 C ATOM 684 C GLY B 13 -6.228 -5.506 -12.882 1.00 0.00 C ATOM 685 O GLY B 13 -6.855 -4.490 -12.663 1.00 0.00 O ATOM 0 H GLY B 13 -5.690 -8.580 -12.997 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -7.777 -6.732 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -7.332 -7.206 -12.132 1.00 0.00 H new ATOM 689 N LYS B 14 -4.925 -5.496 -12.967 1.00 0.00 N ATOM 690 CA LYS B 14 -4.179 -4.221 -12.794 1.00 0.00 C ATOM 691 C LYS B 14 -4.420 -3.316 -14.006 1.00 0.00 C ATOM 692 O LYS B 14 -4.550 -3.781 -15.120 1.00 0.00 O ATOM 693 CB LYS B 14 -2.707 -4.628 -12.706 1.00 0.00 C ATOM 694 CG LYS B 14 -2.534 -5.677 -11.605 1.00 0.00 C ATOM 695 CD LYS B 14 -1.303 -5.334 -10.762 1.00 0.00 C ATOM 696 CE LYS B 14 -0.971 -6.510 -9.841 1.00 0.00 C ATOM 697 NZ LYS B 14 0.440 -6.863 -10.161 1.00 0.00 N ATOM 0 H LYS B 14 -4.347 -6.316 -13.149 1.00 0.00 H new ATOM 0 HA LYS B 14 -4.494 -3.667 -11.910 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -2.372 -5.030 -13.662 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -2.089 -3.756 -12.493 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -3.423 -5.708 -10.975 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -2.421 -6.667 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -0.455 -5.115 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -1.492 -4.438 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -1.081 -6.233 -8.792 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -1.639 -7.352 -10.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 0.741 -7.663 -9.568 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 0.513 -7.128 -11.164 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.054 -6.044 -9.974 1.00 0.00 H new ATOM 711 N LYS B 15 -4.484 -2.031 -13.800 1.00 0.00 N ATOM 712 CA LYS B 15 -4.721 -1.108 -14.947 1.00 0.00 C ATOM 713 C LYS B 15 -4.088 0.257 -14.668 1.00 0.00 C ATOM 714 O LYS B 15 -3.886 0.626 -13.528 1.00 0.00 O ATOM 715 CB LYS B 15 -6.241 -0.982 -15.050 1.00 0.00 C ATOM 716 CG LYS B 15 -6.752 -1.859 -16.196 1.00 0.00 C ATOM 717 CD LYS B 15 -7.536 -0.999 -17.188 1.00 0.00 C ATOM 718 CE LYS B 15 -7.162 -1.399 -18.617 1.00 0.00 C ATOM 719 NZ LYS B 15 -7.166 -0.124 -19.388 1.00 0.00 N ATOM 0 H LYS B 15 -4.383 -1.580 -12.891 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.280 -1.480 -15.872 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.706 -1.285 -14.112 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.519 0.058 -15.222 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.914 -2.341 -16.700 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.388 -2.653 -15.804 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.607 -1.129 -17.031 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.315 0.056 -17.025 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -6.183 -1.877 -18.650 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -7.878 -2.111 -19.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -6.918 -0.317 -20.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -8.113 0.305 -19.345 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -6.470 0.531 -18.979 1.00 0.00 H new ATOM 733 N PRO B 16 -3.799 0.962 -15.727 1.00 0.00 N ATOM 734 CA PRO B 16 -3.183 2.305 -15.600 1.00 0.00 C ATOM 735 C PRO B 16 -4.217 3.317 -15.097 1.00 0.00 C ATOM 736 O PRO B 16 -5.409 3.105 -15.202 1.00 0.00 O ATOM 737 CB PRO B 16 -2.743 2.633 -17.025 1.00 0.00 C ATOM 738 CG PRO B 16 -3.632 1.813 -17.905 1.00 0.00 C ATOM 739 CD PRO B 16 -4.014 0.580 -17.126 1.00 0.00 C ATOM 0 HA PRO B 16 -2.357 2.336 -14.889 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -2.852 3.697 -17.236 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -1.694 2.383 -17.181 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -4.519 2.379 -18.190 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -3.117 1.542 -18.827 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -5.051 0.299 -17.308 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -3.398 -0.275 -17.405 1.00 0.00 H new ATOM 747 N ILE B 17 -3.770 4.414 -14.550 1.00 0.00 N ATOM 748 CA ILE B 17 -4.719 5.435 -14.038 1.00 0.00 C ATOM 749 C ILE B 17 -4.030 6.795 -13.927 1.00 0.00 C ATOM 750 O ILE B 17 -3.812 7.300 -12.845 1.00 0.00 O ATOM 751 CB ILE B 17 -5.137 4.929 -12.659 1.00 0.00 C ATOM 752 CG1 ILE B 17 -3.901 4.463 -11.886 1.00 0.00 C ATOM 753 CG2 ILE B 17 -6.110 3.760 -12.813 1.00 0.00 C ATOM 754 CD1 ILE B 17 -4.269 4.242 -10.417 1.00 0.00 C ATOM 0 H ILE B 17 -2.783 4.645 -14.436 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.575 5.570 -14.699 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.624 5.737 -12.113 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -3.516 3.539 -12.318 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -3.108 5.207 -11.965 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -6.406 3.401 -11.827 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -6.993 4.091 -13.359 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -5.625 2.953 -13.362 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -3.388 3.910 -9.867 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.634 5.176 -9.989 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -5.048 3.482 -10.347 1.00 0.00 H new ATOM 766 N TYR B 18 -3.688 7.393 -15.036 1.00 0.00 N ATOM 767 CA TYR B 18 -3.013 8.724 -14.992 1.00 0.00 C ATOM 768 C TYR B 18 -4.005 9.807 -14.562 1.00 0.00 C ATOM 769 O TYR B 18 -4.954 9.548 -13.848 1.00 0.00 O ATOM 770 CB TYR B 18 -2.535 8.973 -16.424 1.00 0.00 C ATOM 771 CG TYR B 18 -1.084 9.397 -16.412 1.00 0.00 C ATOM 772 CD1 TYR B 18 -0.074 8.435 -16.280 1.00 0.00 C ATOM 773 CD2 TYR B 18 -0.747 10.752 -16.535 1.00 0.00 C ATOM 774 CE1 TYR B 18 1.271 8.826 -16.268 1.00 0.00 C ATOM 775 CE2 TYR B 18 0.600 11.143 -16.523 1.00 0.00 C ATOM 776 CZ TYR B 18 1.607 10.180 -16.389 1.00 0.00 C ATOM 777 OH TYR B 18 2.933 10.565 -16.378 1.00 0.00 O ATOM 0 H TYR B 18 -3.846 7.018 -15.971 1.00 0.00 H new ATOM 0 HA TYR B 18 -2.190 8.746 -14.277 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -2.654 8.068 -17.020 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.145 9.745 -16.892 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.333 7.391 -16.187 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -1.524 11.495 -16.639 1.00 0.00 H new ATOM 0 HE1 TYR B 18 2.049 8.084 -16.165 1.00 0.00 H new ATOM 0 HE2 TYR B 18 0.860 12.187 -16.617 1.00 0.00 H new ATOM 0 HH TYR B 18 2.992 11.539 -16.473 1.00 0.00 H new ATOM 787 N LYS B 19 -3.793 11.021 -14.992 1.00 0.00 N ATOM 788 CA LYS B 19 -4.721 12.124 -14.611 1.00 0.00 C ATOM 789 C LYS B 19 -4.631 12.400 -13.107 1.00 0.00 C ATOM 790 O LYS B 19 -5.030 11.591 -12.293 1.00 0.00 O ATOM 791 CB LYS B 19 -6.115 11.616 -14.979 1.00 0.00 C ATOM 792 CG LYS B 19 -6.922 12.749 -15.616 1.00 0.00 C ATOM 793 CD LYS B 19 -8.305 12.232 -16.011 1.00 0.00 C ATOM 794 CE LYS B 19 -9.381 13.046 -15.289 1.00 0.00 C ATOM 795 NZ LYS B 19 -10.454 12.065 -14.966 1.00 0.00 N ATOM 0 H LYS B 19 -3.016 11.297 -15.592 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.479 13.058 -15.119 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -6.037 10.778 -15.671 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -6.626 11.248 -14.089 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -7.019 13.579 -14.916 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -6.401 13.132 -16.494 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -8.439 12.309 -17.090 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -8.398 11.177 -15.753 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -8.985 13.510 -14.386 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -9.758 13.850 -15.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -11.229 12.549 -14.469 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -10.816 11.645 -15.846 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -10.067 11.315 -14.358 1.00 0.00 H new ATOM 809 N LYS B 20 -4.111 13.536 -12.733 1.00 0.00 N ATOM 810 CA LYS B 20 -3.998 13.864 -11.282 1.00 0.00 C ATOM 811 C LYS B 20 -4.618 15.236 -11.002 1.00 0.00 C ATOM 812 O LYS B 20 -5.164 15.873 -11.882 1.00 0.00 O ATOM 813 CB LYS B 20 -2.494 13.882 -10.996 1.00 0.00 C ATOM 814 CG LYS B 20 -2.254 13.607 -9.511 1.00 0.00 C ATOM 815 CD LYS B 20 -1.580 14.822 -8.866 1.00 0.00 C ATOM 816 CE LYS B 20 -0.820 14.379 -7.614 1.00 0.00 C ATOM 817 NZ LYS B 20 0.010 15.554 -7.231 1.00 0.00 N ATOM 0 H LYS B 20 -3.759 14.252 -13.368 1.00 0.00 H new ATOM 0 HA LYS B 20 -4.522 13.145 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -1.989 13.130 -11.602 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -2.072 14.849 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -3.200 13.396 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -1.626 12.724 -9.391 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -0.895 15.290 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -2.328 15.570 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -1.506 14.102 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -0.199 13.507 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 0.561 15.327 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 0.658 15.790 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -0.608 16.367 -7.037 1.00 0.00 H new ATOM 831 N ALA B 21 -4.545 15.696 -9.783 1.00 0.00 N ATOM 832 CA ALA B 21 -5.135 17.025 -9.450 1.00 0.00 C ATOM 833 C ALA B 21 -4.126 17.873 -8.669 1.00 0.00 C ATOM 834 O ALA B 21 -4.397 18.300 -7.564 1.00 0.00 O ATOM 835 CB ALA B 21 -6.354 16.712 -8.585 1.00 0.00 C ATOM 0 H ALA B 21 -4.103 15.210 -9.003 1.00 0.00 H new ATOM 0 HA ALA B 21 -5.403 17.592 -10.342 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -6.845 17.642 -8.298 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -7.051 16.093 -9.149 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -6.037 16.177 -7.690 1.00 0.00 H new ATOM 841 N PRO B 22 -2.991 18.086 -9.276 1.00 0.00 N ATOM 842 CA PRO B 22 -1.921 18.889 -8.636 1.00 0.00 C ATOM 843 C PRO B 22 -2.280 20.377 -8.671 1.00 0.00 C ATOM 844 O PRO B 22 -3.235 20.782 -9.303 1.00 0.00 O ATOM 845 CB PRO B 22 -0.697 18.606 -9.501 1.00 0.00 C ATOM 846 CG PRO B 22 -1.245 18.215 -10.837 1.00 0.00 C ATOM 847 CD PRO B 22 -2.600 17.600 -10.603 1.00 0.00 C ATOM 0 HA PRO B 22 -1.763 18.638 -7.587 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -0.058 19.485 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -0.090 17.807 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -1.325 19.085 -11.489 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -0.581 17.506 -11.332 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -3.314 17.908 -11.366 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -2.553 16.511 -10.631 1.00 0.00 H new ATOM 855 N THR B 23 -1.519 21.196 -7.997 1.00 0.00 N ATOM 856 CA THR B 23 -1.813 22.657 -7.995 1.00 0.00 C ATOM 857 C THR B 23 -1.123 23.335 -9.180 1.00 0.00 C ATOM 858 O THR B 23 -1.713 23.547 -10.220 1.00 0.00 O ATOM 859 CB THR B 23 -1.247 23.173 -6.671 1.00 0.00 C ATOM 860 OG1 THR B 23 -1.970 22.597 -5.593 1.00 0.00 O ATOM 861 CG2 THR B 23 -1.374 24.696 -6.618 1.00 0.00 C ATOM 0 H THR B 23 -0.706 20.916 -7.448 1.00 0.00 H new ATOM 0 HA THR B 23 -2.879 22.866 -8.089 1.00 0.00 H new ATOM 0 HB THR B 23 -0.196 22.897 -6.593 1.00 0.00 H new ATOM 0 HG1 THR B 23 -1.608 22.925 -4.744 1.00 0.00 H new ATOM 0 HG21 THR B 23 -0.970 25.062 -5.674 1.00 0.00 H new ATOM 0 HG22 THR B 23 -0.818 25.136 -7.446 1.00 0.00 H new ATOM 0 HG23 THR B 23 -2.424 24.976 -6.697 1.00 0.00 H new ATOM 869 N ASN B 24 0.124 23.672 -9.028 1.00 0.00 N ATOM 870 CA ASN B 24 0.864 24.335 -10.140 1.00 0.00 C ATOM 871 C ASN B 24 2.368 24.086 -9.992 1.00 0.00 C ATOM 872 O ASN B 24 2.994 24.554 -9.062 1.00 0.00 O ATOM 873 CB ASN B 24 0.550 25.824 -9.992 1.00 0.00 C ATOM 874 CG ASN B 24 0.858 26.545 -11.306 1.00 0.00 C ATOM 875 OD1 ASN B 24 1.421 25.965 -12.214 1.00 0.00 O ATOM 876 ND2 ASN B 24 0.510 27.795 -11.447 1.00 0.00 N ATOM 0 H ASN B 24 0.667 23.517 -8.179 1.00 0.00 H new ATOM 0 HA ASN B 24 0.572 23.953 -11.118 1.00 0.00 H new ATOM 0 HB2 ASN B 24 -0.499 25.961 -9.727 1.00 0.00 H new ATOM 0 HB3 ASN B 24 1.141 26.252 -9.183 1.00 0.00 H new ATOM 0 HD21 ASN B 24 0.710 28.285 -12.319 1.00 0.00 H new ATOM 0 HD22 ASN B 24 0.038 28.282 -10.685 1.00 0.00 H new ATOM 883 N GLU B 25 2.953 23.350 -10.898 1.00 0.00 N ATOM 884 CA GLU B 25 4.416 23.074 -10.800 1.00 0.00 C ATOM 885 C GLU B 25 4.991 22.754 -12.183 1.00 0.00 C ATOM 886 O GLU B 25 4.267 22.566 -13.140 1.00 0.00 O ATOM 887 CB GLU B 25 4.528 21.858 -9.879 1.00 0.00 C ATOM 888 CG GLU B 25 3.653 20.725 -10.419 1.00 0.00 C ATOM 889 CD GLU B 25 3.824 19.484 -9.540 1.00 0.00 C ATOM 890 OE1 GLU B 25 4.906 18.920 -9.551 1.00 0.00 O ATOM 891 OE2 GLU B 25 2.870 19.120 -8.872 1.00 0.00 O ATOM 0 H GLU B 25 2.483 22.929 -11.700 1.00 0.00 H new ATOM 0 HA GLU B 25 4.972 23.930 -10.417 1.00 0.00 H new ATOM 0 HB2 GLU B 25 5.566 21.531 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU B 25 4.215 22.124 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU B 25 2.608 21.033 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU B 25 3.930 20.496 -11.448 1.00 0.00 H new ATOM 898 N PHE B 26 6.291 22.693 -12.293 1.00 0.00 N ATOM 899 CA PHE B 26 6.916 22.385 -13.612 1.00 0.00 C ATOM 900 C PHE B 26 6.283 23.244 -14.710 1.00 0.00 C ATOM 901 O PHE B 26 5.511 22.766 -15.517 1.00 0.00 O ATOM 902 CB PHE B 26 6.624 20.904 -13.854 1.00 0.00 C ATOM 903 CG PHE B 26 7.263 20.472 -15.152 1.00 0.00 C ATOM 904 CD1 PHE B 26 8.643 20.235 -15.209 1.00 0.00 C ATOM 905 CD2 PHE B 26 6.475 20.305 -16.299 1.00 0.00 C ATOM 906 CE1 PHE B 26 9.235 19.832 -16.413 1.00 0.00 C ATOM 907 CE2 PHE B 26 7.068 19.903 -17.502 1.00 0.00 C ATOM 908 CZ PHE B 26 8.447 19.666 -17.560 1.00 0.00 C ATOM 0 H PHE B 26 6.947 22.843 -11.527 1.00 0.00 H new ATOM 0 HA PHE B 26 7.985 22.595 -13.621 1.00 0.00 H new ATOM 0 HB2 PHE B 26 7.011 20.306 -13.029 1.00 0.00 H new ATOM 0 HB3 PHE B 26 5.548 20.736 -13.892 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.250 20.363 -14.325 1.00 0.00 H new ATOM 0 HD2 PHE B 26 5.411 20.486 -16.255 1.00 0.00 H new ATOM 0 HE1 PHE B 26 10.299 19.649 -16.457 1.00 0.00 H new ATOM 0 HE2 PHE B 26 6.461 19.776 -18.386 1.00 0.00 H new ATOM 0 HZ PHE B 26 8.903 19.355 -18.488 1.00 0.00 H new ATOM 918 N TYR B 27 6.605 24.507 -14.746 1.00 0.00 N ATOM 919 CA TYR B 27 6.023 25.396 -15.792 1.00 0.00 C ATOM 920 C TYR B 27 7.092 25.769 -16.822 1.00 0.00 C ATOM 921 O TYR B 27 8.177 26.193 -16.478 1.00 0.00 O ATOM 922 CB TYR B 27 5.550 26.638 -15.037 1.00 0.00 C ATOM 923 CG TYR B 27 4.507 27.360 -15.858 1.00 0.00 C ATOM 924 CD1 TYR B 27 4.895 28.132 -16.961 1.00 0.00 C ATOM 925 CD2 TYR B 27 3.153 27.257 -15.516 1.00 0.00 C ATOM 926 CE1 TYR B 27 3.928 28.801 -17.723 1.00 0.00 C ATOM 927 CE2 TYR B 27 2.186 27.926 -16.278 1.00 0.00 C ATOM 928 CZ TYR B 27 2.572 28.697 -17.381 1.00 0.00 C ATOM 929 OH TYR B 27 1.620 29.356 -18.131 1.00 0.00 O ATOM 0 H TYR B 27 7.246 24.963 -14.097 1.00 0.00 H new ATOM 0 HA TYR B 27 5.210 24.916 -16.337 1.00 0.00 H new ATOM 0 HB2 TYR B 27 5.134 26.353 -14.071 1.00 0.00 H new ATOM 0 HB3 TYR B 27 6.394 27.299 -14.838 1.00 0.00 H new ATOM 0 HD1 TYR B 27 5.940 28.211 -17.224 1.00 0.00 H new ATOM 0 HD2 TYR B 27 2.854 26.662 -14.665 1.00 0.00 H new ATOM 0 HE1 TYR B 27 4.227 29.396 -18.573 1.00 0.00 H new ATOM 0 HE2 TYR B 27 1.142 27.847 -16.014 1.00 0.00 H new ATOM 0 HH TYR B 27 0.731 29.178 -17.760 1.00 0.00 H new ATOM 939 N ALA B 28 6.792 25.616 -18.082 1.00 0.00 N ATOM 940 CA ALA B 28 7.792 25.962 -19.133 1.00 0.00 C ATOM 941 C ALA B 28 7.843 27.479 -19.333 1.00 0.00 C ATOM 942 O ALA B 28 6.910 28.013 -19.907 1.00 0.00 O ATOM 943 CB ALA B 28 7.290 25.271 -20.401 1.00 0.00 C ATOM 944 OXT ALA B 28 8.817 28.080 -18.909 1.00 0.00 O ATOM 0 H ALA B 28 5.899 25.267 -18.430 1.00 0.00 H new ATOM 0 HA ALA B 28 8.799 25.642 -18.867 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.975 25.478 -21.224 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.239 24.195 -20.233 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.298 25.646 -20.651 1.00 0.00 H new TER 950 ALA B 28