USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 748 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 NoAdj-H: A 47 HIS HD1 : A 47 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 29 GLN : amide:sc= -4.72! C(o=-6!,f=-1.2!) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= -1.29 USER MOD Single : A 1 MET CE :methyl 154:sc= -0.132 (180deg=-0.965) USER MOD Single : A 1 MET N :NH3+ -153:sc= -0.112 (180deg=-0.786) USER MOD Single : A 3 ASN : amide:sc= -0.723 K(o=-0.72,f=-5.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0875 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-0.32) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -160:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.319 K(o=0.32,f=-1.4) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.0015) USER MOD Single : A 46 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.586 USER MOD Single : A 59 SER OG : rot 180:sc= 0.111 USER MOD Single : A 61 SER OG : rot -159:sc= -0.029 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 LYS NZ :NH3+ 136:sc= -0.11 (180deg=-0.94) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 4:sc= 1.04 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 55:sc= 0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.795 -41.332 -44.958 1.00 0.00 N ATOM 2 CA MET A 1 2.611 -39.992 -44.327 1.00 0.00 C ATOM 3 C MET A 1 3.938 -39.497 -43.746 1.00 0.00 C ATOM 4 O MET A 1 4.384 -39.965 -42.716 1.00 0.00 O ATOM 5 CB MET A 1 1.587 -40.208 -43.211 1.00 0.00 C ATOM 6 CG MET A 1 0.219 -40.514 -43.822 1.00 0.00 C ATOM 7 SD MET A 1 -0.973 -40.840 -42.500 1.00 0.00 S ATOM 8 CE MET A 1 -1.061 -39.151 -41.855 1.00 0.00 C ATOM 0 H1 MET A 1 2.089 -41.461 -45.710 1.00 0.00 H new ATOM 0 H2 MET A 1 3.750 -41.396 -45.365 1.00 0.00 H new ATOM 0 H3 MET A 1 2.675 -42.074 -44.239 1.00 0.00 H new ATOM 0 HA MET A 1 2.275 -39.243 -45.045 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.902 -41.031 -42.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.525 -39.319 -42.583 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.116 -39.673 -44.429 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.289 -41.377 -44.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.025 -38.997 -41.370 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.261 -38.996 -41.131 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.950 -38.442 -42.675 1.00 0.00 H new ATOM 20 N GLY A 2 4.567 -38.555 -44.401 1.00 0.00 N ATOM 21 CA GLY A 2 5.865 -38.022 -43.894 1.00 0.00 C ATOM 22 C GLY A 2 5.592 -36.944 -42.845 1.00 0.00 C ATOM 23 O GLY A 2 4.468 -36.519 -42.662 1.00 0.00 O ATOM 0 H GLY A 2 4.236 -38.131 -45.268 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.457 -38.827 -43.459 1.00 0.00 H new ATOM 0 HA3 GLY A 2 6.447 -37.606 -44.717 1.00 0.00 H new ATOM 27 N ASN A 3 6.613 -36.500 -42.160 1.00 0.00 N ATOM 28 CA ASN A 3 6.423 -35.446 -41.118 1.00 0.00 C ATOM 29 C ASN A 3 6.705 -34.061 -41.710 1.00 0.00 C ATOM 30 O ASN A 3 7.840 -33.716 -41.982 1.00 0.00 O ATOM 31 CB ASN A 3 7.438 -35.783 -40.023 1.00 0.00 C ATOM 32 CG ASN A 3 7.251 -34.835 -38.835 1.00 0.00 C ATOM 33 OD1 ASN A 3 6.671 -33.774 -38.972 1.00 0.00 O ATOM 34 ND2 ASN A 3 7.720 -35.173 -37.665 1.00 0.00 N ATOM 0 H ASN A 3 7.574 -36.823 -42.277 1.00 0.00 H new ATOM 0 HA ASN A 3 5.404 -35.423 -40.733 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.309 -36.816 -39.700 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.452 -35.696 -40.414 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.600 -34.548 -36.868 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.206 -36.062 -37.548 1.00 0.00 H new ATOM 41 N LYS A 4 5.683 -33.266 -41.906 1.00 0.00 N ATOM 42 CA LYS A 4 5.889 -31.900 -42.477 1.00 0.00 C ATOM 43 C LYS A 4 5.621 -30.837 -41.408 1.00 0.00 C ATOM 44 O LYS A 4 4.700 -30.956 -40.623 1.00 0.00 O ATOM 45 CB LYS A 4 4.869 -31.790 -43.612 1.00 0.00 C ATOM 46 CG LYS A 4 5.225 -32.780 -44.723 1.00 0.00 C ATOM 47 CD LYS A 4 4.206 -32.666 -45.861 1.00 0.00 C ATOM 48 CE LYS A 4 2.853 -33.205 -45.393 1.00 0.00 C ATOM 49 NZ LYS A 4 1.950 -33.052 -46.569 1.00 0.00 N ATOM 0 H LYS A 4 4.714 -33.504 -41.695 1.00 0.00 H new ATOM 0 HA LYS A 4 6.909 -31.746 -42.829 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.867 -31.996 -43.235 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.858 -30.774 -44.007 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.228 -32.576 -45.098 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.233 -33.796 -44.329 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.107 -31.626 -46.171 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.551 -33.226 -46.730 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.928 -34.248 -45.086 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.481 -32.646 -44.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.001 -33.401 -46.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.892 -32.048 -46.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.326 -33.600 -47.369 1.00 0.00 H new ATOM 63 N GLN A 5 6.422 -29.802 -41.375 1.00 0.00 N ATOM 64 CA GLN A 5 6.225 -28.720 -40.359 1.00 0.00 C ATOM 65 C GLN A 5 5.905 -27.389 -41.049 1.00 0.00 C ATOM 66 O GLN A 5 6.525 -26.377 -40.780 1.00 0.00 O ATOM 67 CB GLN A 5 7.556 -28.625 -39.612 1.00 0.00 C ATOM 68 CG GLN A 5 7.769 -29.889 -38.780 1.00 0.00 C ATOM 69 CD GLN A 5 9.131 -29.820 -38.089 1.00 0.00 C ATOM 70 OE1 GLN A 5 10.155 -29.797 -38.740 1.00 0.00 O ATOM 71 NE2 GLN A 5 9.187 -29.785 -36.785 1.00 0.00 N ATOM 0 H GLN A 5 7.207 -29.658 -42.010 1.00 0.00 H new ATOM 0 HA GLN A 5 5.394 -28.938 -39.688 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.375 -28.502 -40.321 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.560 -27.747 -38.966 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.977 -29.986 -38.038 1.00 0.00 H new ATOM 0 HG3 GLN A 5 7.717 -30.771 -39.419 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.327 -29.804 -36.237 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.091 -29.738 -36.314 1.00 0.00 H new ATOM 80 N ALA A 6 4.945 -27.387 -41.938 1.00 0.00 N ATOM 81 CA ALA A 6 4.581 -26.123 -42.652 1.00 0.00 C ATOM 82 C ALA A 6 4.063 -25.082 -41.656 1.00 0.00 C ATOM 83 O ALA A 6 4.366 -23.910 -41.761 1.00 0.00 O ATOM 84 CB ALA A 6 3.476 -26.515 -43.637 1.00 0.00 C ATOM 0 H ALA A 6 4.396 -28.206 -42.201 1.00 0.00 H new ATOM 0 HA ALA A 6 5.438 -25.682 -43.160 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.159 -25.635 -44.197 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.855 -27.268 -44.328 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.626 -26.921 -43.088 1.00 0.00 H new ATOM 90 N LYS A 7 3.287 -25.503 -40.691 1.00 0.00 N ATOM 91 CA LYS A 7 2.749 -24.541 -39.683 1.00 0.00 C ATOM 92 C LYS A 7 3.061 -25.037 -38.272 1.00 0.00 C ATOM 93 O LYS A 7 2.828 -26.186 -37.947 1.00 0.00 O ATOM 94 CB LYS A 7 1.239 -24.515 -39.921 1.00 0.00 C ATOM 95 CG LYS A 7 0.596 -23.475 -39.001 1.00 0.00 C ATOM 96 CD LYS A 7 -0.909 -23.416 -39.270 1.00 0.00 C ATOM 97 CE LYS A 7 -1.548 -22.364 -38.360 1.00 0.00 C ATOM 98 NZ LYS A 7 -2.996 -22.384 -38.709 1.00 0.00 N ATOM 0 H LYS A 7 3.002 -26.473 -40.557 1.00 0.00 H new ATOM 0 HA LYS A 7 3.190 -23.549 -39.780 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.028 -24.274 -40.963 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.813 -25.500 -39.729 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.780 -23.733 -37.958 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.045 -22.496 -39.171 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.093 -23.168 -40.315 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.360 -24.392 -39.089 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.392 -22.604 -37.308 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.114 -21.379 -38.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.503 -21.688 -38.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.114 -22.145 -39.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.383 -23.333 -38.531 1.00 0.00 H new ATOM 112 N ALA A 8 3.586 -24.181 -37.435 1.00 0.00 N ATOM 113 CA ALA A 8 3.911 -24.607 -36.043 1.00 0.00 C ATOM 114 C ALA A 8 3.210 -23.690 -35.019 1.00 0.00 C ATOM 115 O ALA A 8 3.313 -22.482 -35.114 1.00 0.00 O ATOM 116 CB ALA A 8 5.430 -24.482 -35.927 1.00 0.00 C ATOM 0 H ALA A 8 3.803 -23.209 -37.655 1.00 0.00 H new ATOM 0 HA ALA A 8 3.571 -25.622 -35.838 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.744 -24.779 -34.927 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.906 -25.129 -36.664 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.725 -23.448 -36.108 1.00 0.00 H new ATOM 122 N PRO A 9 2.514 -24.286 -34.070 1.00 0.00 N ATOM 123 CA PRO A 9 1.807 -23.484 -33.041 1.00 0.00 C ATOM 124 C PRO A 9 2.815 -22.889 -32.058 1.00 0.00 C ATOM 125 O PRO A 9 3.821 -23.499 -31.748 1.00 0.00 O ATOM 126 CB PRO A 9 0.904 -24.504 -32.349 1.00 0.00 C ATOM 127 CG PRO A 9 1.580 -25.818 -32.555 1.00 0.00 C ATOM 128 CD PRO A 9 2.329 -25.730 -33.856 1.00 0.00 C ATOM 0 HA PRO A 9 1.248 -22.644 -33.454 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.794 -24.279 -31.288 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.097 -24.503 -32.781 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.261 -26.034 -31.732 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.850 -26.627 -32.585 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.285 -26.250 -33.801 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.766 -26.184 -34.671 1.00 0.00 H new ATOM 136 N GLU A 10 2.553 -21.708 -31.562 1.00 0.00 N ATOM 137 CA GLU A 10 3.497 -21.074 -30.592 1.00 0.00 C ATOM 138 C GLU A 10 2.720 -20.357 -29.492 1.00 0.00 C ATOM 139 O GLU A 10 2.192 -19.283 -29.698 1.00 0.00 O ATOM 140 CB GLU A 10 4.291 -20.060 -31.410 1.00 0.00 C ATOM 141 CG GLU A 10 5.178 -20.794 -32.419 1.00 0.00 C ATOM 142 CD GLU A 10 5.955 -19.789 -33.286 1.00 0.00 C ATOM 143 OE1 GLU A 10 5.826 -18.596 -33.056 1.00 0.00 O ATOM 144 OE2 GLU A 10 6.669 -20.237 -34.168 1.00 0.00 O ATOM 0 H GLU A 10 1.726 -21.154 -31.786 1.00 0.00 H new ATOM 0 HA GLU A 10 4.140 -21.811 -30.111 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.611 -19.386 -31.931 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.905 -19.446 -30.750 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.876 -21.445 -31.892 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.564 -21.433 -33.054 1.00 0.00 H new ATOM 151 N SER A 11 2.648 -20.939 -28.319 1.00 0.00 N ATOM 152 CA SER A 11 1.904 -20.293 -27.188 1.00 0.00 C ATOM 153 C SER A 11 0.483 -19.926 -27.631 1.00 0.00 C ATOM 154 O SER A 11 0.080 -20.227 -28.740 1.00 0.00 O ATOM 155 CB SER A 11 2.709 -19.034 -26.843 1.00 0.00 C ATOM 156 OG SER A 11 2.183 -18.444 -25.663 1.00 0.00 O ATOM 0 H SER A 11 3.074 -21.838 -28.094 1.00 0.00 H new ATOM 0 HA SER A 11 1.805 -20.955 -26.328 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.759 -19.289 -26.698 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.665 -18.324 -27.668 1.00 0.00 H new ATOM 0 HG SER A 11 2.698 -17.640 -25.441 1.00 0.00 H new ATOM 162 N LYS A 12 -0.274 -19.284 -26.781 1.00 0.00 N ATOM 163 CA LYS A 12 -1.667 -18.901 -27.161 1.00 0.00 C ATOM 164 C LYS A 12 -1.655 -17.604 -27.974 1.00 0.00 C ATOM 165 O LYS A 12 -1.092 -16.608 -27.560 1.00 0.00 O ATOM 166 CB LYS A 12 -2.396 -18.699 -25.835 1.00 0.00 C ATOM 167 CG LYS A 12 -3.887 -18.967 -26.032 1.00 0.00 C ATOM 168 CD LYS A 12 -4.592 -18.908 -24.679 1.00 0.00 C ATOM 169 CE LYS A 12 -6.085 -19.175 -24.867 1.00 0.00 C ATOM 170 NZ LYS A 12 -6.661 -19.101 -23.495 1.00 0.00 N ATOM 0 H LYS A 12 0.011 -19.008 -25.841 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.151 -19.657 -27.780 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.991 -19.371 -25.078 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.242 -17.682 -25.474 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.315 -18.229 -26.711 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.035 -19.945 -26.490 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.163 -19.646 -24.001 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.442 -17.930 -24.222 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.539 -18.436 -25.527 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.258 -20.153 -25.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.686 -19.274 -23.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.214 -19.821 -22.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.486 -18.157 -23.095 1.00 0.00 H new ATOM 184 N ASP A 13 -2.278 -17.612 -29.125 1.00 0.00 N ATOM 185 CA ASP A 13 -2.314 -16.381 -29.978 1.00 0.00 C ATOM 186 C ASP A 13 -3.103 -15.276 -29.274 1.00 0.00 C ATOM 187 O ASP A 13 -2.732 -14.118 -29.309 1.00 0.00 O ATOM 188 CB ASP A 13 -3.022 -16.801 -31.269 1.00 0.00 C ATOM 189 CG ASP A 13 -2.841 -15.715 -32.334 1.00 0.00 C ATOM 190 OD1 ASP A 13 -1.820 -15.047 -32.309 1.00 0.00 O ATOM 191 OD2 ASP A 13 -3.731 -15.568 -33.158 1.00 0.00 O ATOM 0 H ASP A 13 -2.765 -18.419 -29.514 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.315 -15.990 -30.173 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.615 -17.747 -31.627 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.083 -16.963 -31.077 1.00 0.00 H new ATOM 196 N SER A 14 -4.192 -15.627 -28.637 1.00 0.00 N ATOM 197 CA SER A 14 -5.015 -14.604 -27.926 1.00 0.00 C ATOM 198 C SER A 14 -5.174 -14.997 -26.447 1.00 0.00 C ATOM 199 O SER A 14 -6.107 -15.694 -26.093 1.00 0.00 O ATOM 200 CB SER A 14 -6.366 -14.604 -28.639 1.00 0.00 C ATOM 201 OG SER A 14 -6.153 -14.512 -30.041 1.00 0.00 O ATOM 0 H SER A 14 -4.547 -16.582 -28.579 1.00 0.00 H new ATOM 0 HA SER A 14 -4.556 -13.615 -27.945 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.916 -15.514 -28.401 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.972 -13.766 -28.295 1.00 0.00 H new ATOM 0 HG SER A 14 -7.017 -14.513 -30.504 1.00 0.00 H new ATOM 207 N PRO A 15 -4.249 -14.545 -25.627 1.00 0.00 N ATOM 208 CA PRO A 15 -4.293 -14.870 -24.180 1.00 0.00 C ATOM 209 C PRO A 15 -5.426 -14.107 -23.487 1.00 0.00 C ATOM 210 O PRO A 15 -5.842 -13.056 -23.935 1.00 0.00 O ATOM 211 CB PRO A 15 -2.927 -14.418 -23.667 1.00 0.00 C ATOM 212 CG PRO A 15 -2.484 -13.360 -24.624 1.00 0.00 C ATOM 213 CD PRO A 15 -3.094 -13.692 -25.959 1.00 0.00 C ATOM 0 HA PRO A 15 -4.485 -15.925 -23.985 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.996 -14.028 -22.652 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.221 -15.248 -23.642 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.807 -12.375 -24.287 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.397 -13.333 -24.693 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.403 -12.792 -26.490 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.385 -14.214 -26.602 1.00 0.00 H new ATOM 221 N ARG A 16 -5.920 -14.630 -22.393 1.00 0.00 N ATOM 222 CA ARG A 16 -7.023 -13.941 -21.656 1.00 0.00 C ATOM 223 C ARG A 16 -6.480 -13.323 -20.366 1.00 0.00 C ATOM 224 O ARG A 16 -5.734 -13.946 -19.633 1.00 0.00 O ATOM 225 CB ARG A 16 -8.044 -15.033 -21.333 1.00 0.00 C ATOM 226 CG ARG A 16 -9.262 -14.405 -20.650 1.00 0.00 C ATOM 227 CD ARG A 16 -10.272 -15.502 -20.301 1.00 0.00 C ATOM 228 NE ARG A 16 -10.762 -16.015 -21.612 1.00 0.00 N ATOM 229 CZ ARG A 16 -11.603 -17.012 -21.650 1.00 0.00 C ATOM 230 NH1 ARG A 16 -12.619 -17.041 -20.832 1.00 0.00 N ATOM 231 NH2 ARG A 16 -11.423 -17.981 -22.504 1.00 0.00 N ATOM 0 H ARG A 16 -5.606 -15.507 -21.977 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.467 -13.136 -22.242 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.349 -15.543 -22.247 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.596 -15.784 -20.683 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.955 -13.878 -19.747 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.722 -13.668 -21.308 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.805 -16.296 -19.717 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.092 -15.106 -19.702 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.440 -15.587 -22.480 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.756 -16.284 -20.162 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.276 -17.821 -20.862 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.626 -17.959 -23.140 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.079 -18.761 -22.536 1.00 0.00 H new ATOM 245 N ALA A 17 -6.853 -12.100 -20.087 1.00 0.00 N ATOM 246 CA ALA A 17 -6.364 -11.426 -18.846 1.00 0.00 C ATOM 247 C ALA A 17 -6.880 -12.162 -17.608 1.00 0.00 C ATOM 248 O ALA A 17 -7.986 -11.934 -17.157 1.00 0.00 O ATOM 249 CB ALA A 17 -6.937 -10.006 -18.900 1.00 0.00 C ATOM 0 H ALA A 17 -7.476 -11.538 -20.666 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.276 -11.420 -18.787 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.618 -9.451 -18.018 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.575 -9.502 -19.796 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.026 -10.054 -18.925 1.00 0.00 H new ATOM 255 N SER A 18 -6.080 -13.039 -17.059 1.00 0.00 N ATOM 256 CA SER A 18 -6.505 -13.796 -15.841 1.00 0.00 C ATOM 257 C SER A 18 -6.783 -12.827 -14.688 1.00 0.00 C ATOM 258 O SER A 18 -7.716 -13.014 -13.928 1.00 0.00 O ATOM 259 CB SER A 18 -5.331 -14.709 -15.493 1.00 0.00 C ATOM 260 OG SER A 18 -5.222 -15.735 -16.471 1.00 0.00 O ATOM 0 H SER A 18 -5.147 -13.265 -17.402 1.00 0.00 H new ATOM 0 HA SER A 18 -7.419 -14.364 -16.016 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.407 -14.132 -15.452 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.477 -15.147 -14.506 1.00 0.00 H new ATOM 0 HG SER A 18 -4.468 -16.320 -16.249 1.00 0.00 H new ATOM 266 N LEU A 19 -5.987 -11.788 -14.551 1.00 0.00 N ATOM 267 CA LEU A 19 -6.216 -10.802 -13.446 1.00 0.00 C ATOM 268 C LEU A 19 -7.495 -10.022 -13.726 1.00 0.00 C ATOM 269 O LEU A 19 -7.794 -9.698 -14.858 1.00 0.00 O ATOM 270 CB LEU A 19 -5.019 -9.839 -13.479 1.00 0.00 C ATOM 271 CG LEU A 19 -3.740 -10.554 -13.063 1.00 0.00 C ATOM 272 CD1 LEU A 19 -2.547 -9.653 -13.373 1.00 0.00 C ATOM 273 CD2 LEU A 19 -3.760 -10.848 -11.559 1.00 0.00 C ATOM 0 H LEU A 19 -5.192 -11.583 -15.156 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.311 -11.295 -12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.903 -9.430 -14.483 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.205 -8.998 -12.811 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.663 -11.494 -13.610 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.625 -10.155 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.519 -9.441 -14.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.643 -8.719 -12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.840 -11.359 -11.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.840 -9.912 -11.006 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.615 -11.482 -11.324 1.00 0.00 H new ATOM 285 N ILE A 20 -8.245 -9.710 -12.703 1.00 0.00 N ATOM 286 CA ILE A 20 -9.504 -8.930 -12.903 1.00 0.00 C ATOM 287 C ILE A 20 -9.515 -7.698 -11.979 1.00 0.00 C ATOM 288 O ILE A 20 -8.777 -7.652 -11.013 1.00 0.00 O ATOM 289 CB ILE A 20 -10.644 -9.886 -12.554 1.00 0.00 C ATOM 290 CG1 ILE A 20 -10.501 -10.368 -11.107 1.00 0.00 C ATOM 291 CG2 ILE A 20 -10.600 -11.089 -13.494 1.00 0.00 C ATOM 292 CD1 ILE A 20 -11.784 -11.083 -10.682 1.00 0.00 C ATOM 0 H ILE A 20 -8.041 -9.961 -11.736 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.599 -8.561 -13.924 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.595 -9.364 -12.664 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.649 -11.042 -11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.307 -9.522 -10.448 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.412 -11.773 -13.248 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.711 -10.750 -14.524 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.646 -11.604 -13.382 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.685 -11.427 -9.652 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -12.626 -10.394 -10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -11.957 -11.938 -11.335 1.00 0.00 H new ATOM 304 N PRO A 21 -10.350 -6.731 -12.305 1.00 0.00 N ATOM 305 CA PRO A 21 -10.436 -5.491 -11.485 1.00 0.00 C ATOM 306 C PRO A 21 -11.191 -5.766 -10.184 1.00 0.00 C ATOM 307 O PRO A 21 -11.524 -6.895 -9.878 1.00 0.00 O ATOM 308 CB PRO A 21 -11.228 -4.529 -12.366 1.00 0.00 C ATOM 309 CG PRO A 21 -12.037 -5.402 -13.269 1.00 0.00 C ATOM 310 CD PRO A 21 -11.286 -6.696 -13.440 1.00 0.00 C ATOM 0 HA PRO A 21 -9.459 -5.100 -11.201 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.868 -3.882 -11.766 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.564 -3.880 -12.937 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.023 -5.585 -12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.191 -4.918 -14.233 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.961 -7.552 -13.424 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.756 -6.725 -14.392 1.00 0.00 H new ATOM 318 N ASP A 22 -11.473 -4.739 -9.415 1.00 0.00 N ATOM 319 CA ASP A 22 -12.219 -4.928 -8.126 1.00 0.00 C ATOM 320 C ASP A 22 -11.478 -5.917 -7.221 1.00 0.00 C ATOM 321 O ASP A 22 -12.079 -6.784 -6.616 1.00 0.00 O ATOM 322 CB ASP A 22 -13.593 -5.483 -8.524 1.00 0.00 C ATOM 323 CG ASP A 22 -14.563 -5.369 -7.347 1.00 0.00 C ATOM 324 OD1 ASP A 22 -14.835 -4.253 -6.934 1.00 0.00 O ATOM 325 OD2 ASP A 22 -15.019 -6.399 -6.880 1.00 0.00 O ATOM 0 H ASP A 22 -11.218 -3.774 -9.625 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.309 -3.996 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.982 -4.934 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.499 -6.525 -8.829 1.00 0.00 H new ATOM 330 N ALA A 23 -10.179 -5.790 -7.129 1.00 0.00 N ATOM 331 CA ALA A 23 -9.389 -6.719 -6.266 1.00 0.00 C ATOM 332 C ALA A 23 -9.195 -6.102 -4.879 1.00 0.00 C ATOM 333 O ALA A 23 -8.921 -4.923 -4.750 1.00 0.00 O ATOM 334 CB ALA A 23 -8.045 -6.879 -6.977 1.00 0.00 C ATOM 0 H ALA A 23 -9.630 -5.081 -7.616 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.886 -7.678 -6.124 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.407 -7.550 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.207 -7.295 -7.971 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.562 -5.906 -7.065 1.00 0.00 H new ATOM 340 N THR A 24 -9.343 -6.889 -3.846 1.00 0.00 N ATOM 341 CA THR A 24 -9.176 -6.355 -2.461 1.00 0.00 C ATOM 342 C THR A 24 -8.162 -7.189 -1.677 1.00 0.00 C ATOM 343 O THR A 24 -8.216 -7.263 -0.464 1.00 0.00 O ATOM 344 CB THR A 24 -10.563 -6.463 -1.826 1.00 0.00 C ATOM 345 OG1 THR A 24 -10.994 -7.816 -1.859 1.00 0.00 O ATOM 346 CG2 THR A 24 -11.548 -5.591 -2.604 1.00 0.00 C ATOM 0 H THR A 24 -9.573 -7.881 -3.901 1.00 0.00 H new ATOM 0 HA THR A 24 -8.802 -5.331 -2.462 1.00 0.00 H new ATOM 0 HB THR A 24 -10.518 -6.123 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.882 -7.886 -1.451 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.537 -5.667 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.216 -4.553 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.595 -5.930 -3.639 1.00 0.00 H new ATOM 354 N HIS A 25 -7.244 -7.822 -2.360 1.00 0.00 N ATOM 355 CA HIS A 25 -6.226 -8.660 -1.656 1.00 0.00 C ATOM 356 C HIS A 25 -4.884 -8.581 -2.390 1.00 0.00 C ATOM 357 O HIS A 25 -4.819 -8.173 -3.535 1.00 0.00 O ATOM 358 CB HIS A 25 -6.784 -10.091 -1.699 1.00 0.00 C ATOM 359 CG HIS A 25 -6.973 -10.525 -3.132 1.00 0.00 C ATOM 360 ND1 HIS A 25 -8.229 -10.740 -3.686 1.00 0.00 N ATOM 361 CD2 HIS A 25 -6.071 -10.768 -4.139 1.00 0.00 C ATOM 362 CE1 HIS A 25 -8.049 -11.092 -4.974 1.00 0.00 C ATOM 363 NE2 HIS A 25 -6.755 -11.124 -5.295 1.00 0.00 N ATOM 0 H HIS A 25 -7.155 -7.795 -3.376 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.050 -8.326 -0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.102 -10.772 -1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.735 -10.136 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.998 -10.694 -4.047 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.851 -11.320 -5.660 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -6.351 -11.361 -6.201 1.00 0.00 H new ATOM 372 N LEU A 26 -3.820 -8.971 -1.743 1.00 0.00 N ATOM 373 CA LEU A 26 -2.486 -8.924 -2.405 1.00 0.00 C ATOM 374 C LEU A 26 -1.510 -9.870 -1.700 1.00 0.00 C ATOM 375 O LEU A 26 -0.962 -10.771 -2.304 1.00 0.00 O ATOM 376 CB LEU A 26 -2.034 -7.473 -2.267 1.00 0.00 C ATOM 377 CG LEU A 26 -0.758 -7.261 -3.074 1.00 0.00 C ATOM 378 CD1 LEU A 26 -1.067 -7.384 -4.569 1.00 0.00 C ATOM 379 CD2 LEU A 26 -0.204 -5.871 -2.785 1.00 0.00 C ATOM 0 H LEU A 26 -3.817 -9.320 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.526 -9.240 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.817 -6.802 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.858 -7.234 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.023 -8.015 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.153 -7.232 -5.143 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.466 -8.377 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.803 -6.631 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.709 -5.716 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.942 -5.120 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.018 -5.782 -1.722 1.00 0.00 H new ATOM 391 N GLY A 27 -1.302 -9.672 -0.425 1.00 0.00 N ATOM 392 CA GLY A 27 -0.375 -10.557 0.338 1.00 0.00 C ATOM 393 C GLY A 27 1.086 -10.172 0.033 1.00 0.00 C ATOM 394 O GLY A 27 1.414 -9.876 -1.099 1.00 0.00 O ATOM 0 H GLY A 27 -1.737 -8.930 0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.569 -10.466 1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.549 -11.599 0.070 1.00 0.00 H new ATOM 398 N PRO A 28 1.929 -10.190 1.051 1.00 0.00 N ATOM 399 CA PRO A 28 3.360 -9.837 0.855 1.00 0.00 C ATOM 400 C PRO A 28 4.080 -10.979 0.140 1.00 0.00 C ATOM 401 O PRO A 28 3.850 -12.139 0.423 1.00 0.00 O ATOM 402 CB PRO A 28 3.891 -9.679 2.273 1.00 0.00 C ATOM 403 CG PRO A 28 2.994 -10.528 3.114 1.00 0.00 C ATOM 404 CD PRO A 28 1.645 -10.541 2.451 1.00 0.00 C ATOM 0 HA PRO A 28 3.505 -8.942 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.928 -10.007 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.863 -8.637 2.592 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.391 -11.540 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.922 -10.128 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.172 -11.520 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.967 -9.823 2.912 1.00 0.00 H new ATOM 412 N GLN A 29 4.931 -10.660 -0.794 1.00 0.00 N ATOM 413 CA GLN A 29 5.657 -11.727 -1.557 1.00 0.00 C ATOM 414 C GLN A 29 7.058 -11.232 -1.937 1.00 0.00 C ATOM 415 O GLN A 29 8.042 -11.580 -1.310 1.00 0.00 O ATOM 416 CB GLN A 29 4.813 -12.018 -2.833 1.00 0.00 C ATOM 417 CG GLN A 29 3.563 -11.115 -2.911 1.00 0.00 C ATOM 418 CD GLN A 29 2.786 -11.392 -4.195 1.00 0.00 C ATOM 419 OE1 GLN A 29 3.366 -11.624 -5.237 1.00 0.00 O ATOM 420 NE2 GLN A 29 1.483 -11.374 -4.159 1.00 0.00 N ATOM 0 H GLN A 29 5.160 -9.704 -1.067 1.00 0.00 H new ATOM 0 HA GLN A 29 5.777 -12.632 -0.961 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.429 -11.864 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.507 -13.064 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.924 -11.292 -2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.861 -10.067 -2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.000 -11.179 -3.282 1.00 0.00 H new ATOM 0 HE22 GLN A 29 0.947 -11.555 -5.008 1.00 0.00 H new ATOM 429 N PHE A 30 7.151 -10.421 -2.955 1.00 0.00 N ATOM 430 CA PHE A 30 8.474 -9.891 -3.383 1.00 0.00 C ATOM 431 C PHE A 30 8.323 -8.436 -3.813 1.00 0.00 C ATOM 432 O PHE A 30 7.374 -8.089 -4.493 1.00 0.00 O ATOM 433 CB PHE A 30 8.878 -10.760 -4.569 1.00 0.00 C ATOM 434 CG PHE A 30 9.093 -12.178 -4.099 1.00 0.00 C ATOM 435 CD1 PHE A 30 10.360 -12.587 -3.664 1.00 0.00 C ATOM 436 CD2 PHE A 30 8.026 -13.085 -4.096 1.00 0.00 C ATOM 437 CE1 PHE A 30 10.558 -13.903 -3.225 1.00 0.00 C ATOM 438 CE2 PHE A 30 8.225 -14.400 -3.658 1.00 0.00 C ATOM 439 CZ PHE A 30 9.491 -14.809 -3.223 1.00 0.00 C ATOM 0 H PHE A 30 6.359 -10.101 -3.513 1.00 0.00 H new ATOM 0 HA PHE A 30 9.219 -9.920 -2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.103 -10.732 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.790 -10.373 -5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.184 -11.889 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.049 -12.770 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.534 -14.218 -2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.402 -15.099 -3.656 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.645 -15.823 -2.886 1.00 0.00 H new ATOM 449 N CYS A 31 9.240 -7.582 -3.437 1.00 0.00 N ATOM 450 CA CYS A 31 9.121 -6.158 -3.855 1.00 0.00 C ATOM 451 C CYS A 31 9.454 -6.034 -5.339 1.00 0.00 C ATOM 452 O CYS A 31 10.525 -6.399 -5.777 1.00 0.00 O ATOM 453 CB CYS A 31 10.127 -5.372 -3.015 1.00 0.00 C ATOM 454 SG CYS A 31 9.854 -3.594 -3.276 1.00 0.00 S ATOM 0 H CYS A 31 10.055 -7.807 -2.866 1.00 0.00 H new ATOM 0 HA CYS A 31 8.111 -5.777 -3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.012 -5.620 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.145 -5.642 -3.296 1.00 0.00 H new ATOM 459 N LYS A 32 8.540 -5.530 -6.115 1.00 0.00 N ATOM 460 CA LYS A 32 8.802 -5.379 -7.575 1.00 0.00 C ATOM 461 C LYS A 32 9.278 -3.955 -7.893 1.00 0.00 C ATOM 462 O LYS A 32 9.692 -3.675 -9.002 1.00 0.00 O ATOM 463 CB LYS A 32 7.459 -5.651 -8.255 1.00 0.00 C ATOM 464 CG LYS A 32 7.086 -7.124 -8.077 1.00 0.00 C ATOM 465 CD LYS A 32 5.742 -7.395 -8.756 1.00 0.00 C ATOM 466 CE LYS A 32 5.380 -8.873 -8.599 1.00 0.00 C ATOM 467 NZ LYS A 32 4.068 -9.021 -9.289 1.00 0.00 N ATOM 0 H LYS A 32 7.621 -5.215 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 32 9.581 -6.059 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.686 -5.015 -7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.520 -5.406 -9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.858 -7.761 -8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.026 -7.370 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.966 -6.771 -8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.797 -7.133 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.137 -9.515 -9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.308 -9.153 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.752 -10.010 -9.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.366 -8.403 -8.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.170 -8.754 -10.289 1.00 0.00 H new ATOM 481 N SER A 33 9.207 -3.048 -6.941 1.00 0.00 N ATOM 482 CA SER A 33 9.638 -1.643 -7.221 1.00 0.00 C ATOM 483 C SER A 33 11.165 -1.516 -7.254 1.00 0.00 C ATOM 484 O SER A 33 11.743 -1.256 -8.293 1.00 0.00 O ATOM 485 CB SER A 33 9.076 -0.836 -6.054 1.00 0.00 C ATOM 486 OG SER A 33 7.670 -0.707 -6.209 1.00 0.00 O ATOM 0 H SER A 33 8.872 -3.221 -5.993 1.00 0.00 H new ATOM 0 HA SER A 33 9.283 -1.301 -8.193 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.306 -1.331 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.542 0.149 -6.020 1.00 0.00 H new ATOM 0 HG SER A 33 7.349 0.047 -5.671 1.00 0.00 H new ATOM 492 N CYS A 34 11.829 -1.702 -6.133 1.00 0.00 N ATOM 493 CA CYS A 34 13.322 -1.592 -6.139 1.00 0.00 C ATOM 494 C CYS A 34 13.979 -2.894 -6.619 1.00 0.00 C ATOM 495 O CYS A 34 14.917 -2.868 -7.390 1.00 0.00 O ATOM 496 CB CYS A 34 13.767 -1.207 -4.714 1.00 0.00 C ATOM 497 SG CYS A 34 13.365 -2.506 -3.523 1.00 0.00 S ATOM 0 H CYS A 34 11.408 -1.921 -5.230 1.00 0.00 H new ATOM 0 HA CYS A 34 13.643 -0.824 -6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 34 14.841 -1.022 -4.704 1.00 0.00 H new ATOM 0 HB3 CYS A 34 13.281 -0.277 -4.418 1.00 0.00 H new ATOM 502 N TRP A 35 13.512 -4.038 -6.158 1.00 0.00 N ATOM 503 CA TRP A 35 14.128 -5.353 -6.570 1.00 0.00 C ATOM 504 C TRP A 35 13.498 -6.491 -5.757 1.00 0.00 C ATOM 505 O TRP A 35 12.739 -6.253 -4.841 1.00 0.00 O ATOM 506 CB TRP A 35 15.643 -5.266 -6.263 1.00 0.00 C ATOM 507 CG TRP A 35 15.877 -4.605 -4.933 1.00 0.00 C ATOM 508 CD1 TRP A 35 15.329 -5.000 -3.760 1.00 0.00 C ATOM 509 CD2 TRP A 35 16.683 -3.428 -4.630 1.00 0.00 C ATOM 510 NE1 TRP A 35 15.768 -4.158 -2.754 1.00 0.00 N ATOM 511 CE2 TRP A 35 16.601 -3.171 -3.240 1.00 0.00 C ATOM 512 CE3 TRP A 35 17.478 -2.576 -5.416 1.00 0.00 C ATOM 513 CZ2 TRP A 35 17.279 -2.102 -2.653 1.00 0.00 C ATOM 514 CZ3 TRP A 35 18.160 -1.498 -4.828 1.00 0.00 C ATOM 515 CH2 TRP A 35 18.064 -1.264 -3.449 1.00 0.00 C ATOM 0 H TRP A 35 12.727 -4.119 -5.511 1.00 0.00 H new ATOM 0 HA TRP A 35 13.959 -5.549 -7.629 1.00 0.00 H new ATOM 0 HB2 TRP A 35 16.077 -6.266 -6.259 1.00 0.00 H new ATOM 0 HB3 TRP A 35 16.147 -4.703 -7.049 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.658 -5.836 -3.631 1.00 0.00 H new ATOM 0 HE1 TRP A 35 15.508 -4.255 -1.773 1.00 0.00 H new ATOM 0 HE3 TRP A 35 17.565 -2.751 -6.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 17.198 -1.924 -1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 18.762 -0.845 -5.442 1.00 0.00 H new ATOM 0 HH2 TRP A 35 18.596 -0.437 -3.003 1.00 0.00 H new ATOM 526 N PHE A 36 13.817 -7.722 -6.077 1.00 0.00 N ATOM 527 CA PHE A 36 13.239 -8.881 -5.321 1.00 0.00 C ATOM 528 C PHE A 36 13.985 -9.088 -3.996 1.00 0.00 C ATOM 529 O PHE A 36 15.087 -9.600 -3.968 1.00 0.00 O ATOM 530 CB PHE A 36 13.459 -10.092 -6.229 1.00 0.00 C ATOM 531 CG PHE A 36 12.640 -9.968 -7.498 1.00 0.00 C ATOM 532 CD1 PHE A 36 11.322 -10.440 -7.530 1.00 0.00 C ATOM 533 CD2 PHE A 36 13.209 -9.404 -8.648 1.00 0.00 C ATOM 534 CE1 PHE A 36 10.573 -10.350 -8.711 1.00 0.00 C ATOM 535 CE2 PHE A 36 12.458 -9.310 -9.828 1.00 0.00 C ATOM 536 CZ PHE A 36 11.141 -9.784 -9.861 1.00 0.00 C ATOM 0 H PHE A 36 14.455 -7.976 -6.831 1.00 0.00 H new ATOM 0 HA PHE A 36 12.188 -8.722 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.516 -10.177 -6.480 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.183 -11.004 -5.700 1.00 0.00 H new ATOM 0 HD1 PHE A 36 10.882 -10.874 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 36 14.226 -9.042 -8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.558 -10.717 -8.735 1.00 0.00 H new ATOM 0 HE2 PHE A 36 12.896 -8.871 -10.713 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.564 -9.714 -10.771 1.00 0.00 H new ATOM 546 N GLU A 37 13.379 -8.704 -2.900 1.00 0.00 N ATOM 547 CA GLU A 37 14.021 -8.879 -1.558 1.00 0.00 C ATOM 548 C GLU A 37 12.964 -9.220 -0.501 1.00 0.00 C ATOM 549 O GLU A 37 11.817 -8.832 -0.610 1.00 0.00 O ATOM 550 CB GLU A 37 14.679 -7.530 -1.232 1.00 0.00 C ATOM 551 CG GLU A 37 15.945 -7.369 -2.076 1.00 0.00 C ATOM 552 CD GLU A 37 16.990 -8.413 -1.661 1.00 0.00 C ATOM 553 OE1 GLU A 37 16.900 -8.916 -0.550 1.00 0.00 O ATOM 554 OE2 GLU A 37 17.861 -8.698 -2.466 1.00 0.00 O ATOM 0 H GLU A 37 12.456 -8.271 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 37 14.747 -9.692 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.985 -6.715 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.926 -7.479 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.704 -7.484 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.351 -6.366 -1.949 1.00 0.00 H new ATOM 561 N ASN A 38 13.351 -9.937 0.521 1.00 0.00 N ATOM 562 CA ASN A 38 12.387 -10.305 1.603 1.00 0.00 C ATOM 563 C ASN A 38 12.881 -9.776 2.958 1.00 0.00 C ATOM 564 O ASN A 38 12.461 -10.239 4.000 1.00 0.00 O ATOM 565 CB ASN A 38 12.359 -11.834 1.602 1.00 0.00 C ATOM 566 CG ASN A 38 11.689 -12.331 0.318 1.00 0.00 C ATOM 567 OD1 ASN A 38 10.952 -11.604 -0.320 1.00 0.00 O ATOM 568 ND2 ASN A 38 11.919 -13.547 -0.093 1.00 0.00 N ATOM 0 H ASN A 38 14.300 -10.286 0.655 1.00 0.00 H new ATOM 0 HA ASN A 38 11.398 -9.878 1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.373 -12.227 1.671 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.815 -12.199 2.473 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.481 -13.887 -0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.537 -14.158 0.441 1.00 0.00 H new ATOM 575 N LYS A 39 13.783 -8.824 2.946 1.00 0.00 N ATOM 576 CA LYS A 39 14.323 -8.273 4.230 1.00 0.00 C ATOM 577 C LYS A 39 13.221 -7.578 5.041 1.00 0.00 C ATOM 578 O LYS A 39 13.111 -7.767 6.238 1.00 0.00 O ATOM 579 CB LYS A 39 15.393 -7.267 3.800 1.00 0.00 C ATOM 580 CG LYS A 39 16.563 -8.017 3.157 1.00 0.00 C ATOM 581 CD LYS A 39 17.617 -7.013 2.686 1.00 0.00 C ATOM 582 CE LYS A 39 18.782 -7.762 2.034 1.00 0.00 C ATOM 583 NZ LYS A 39 19.729 -6.697 1.604 1.00 0.00 N ATOM 0 H LYS A 39 14.169 -8.404 2.101 1.00 0.00 H new ATOM 0 HA LYS A 39 14.723 -9.056 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.973 -6.551 3.094 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.741 -6.698 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.002 -8.711 3.874 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.209 -8.611 2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.177 -6.314 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 39 17.976 -6.424 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.253 -8.449 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.444 -8.356 1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.556 -7.132 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.255 -6.062 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.039 -6.152 2.434 1.00 0.00 H new ATOM 597 N GLY A 40 12.410 -6.774 4.400 1.00 0.00 N ATOM 598 CA GLY A 40 11.315 -6.062 5.129 1.00 0.00 C ATOM 599 C GLY A 40 10.203 -5.702 4.146 1.00 0.00 C ATOM 600 O GLY A 40 9.825 -4.555 4.018 1.00 0.00 O ATOM 0 H GLY A 40 12.459 -6.579 3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.922 -6.694 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.704 -5.160 5.602 1.00 0.00 H new ATOM 604 N LEU A 41 9.688 -6.675 3.447 1.00 0.00 N ATOM 605 CA LEU A 41 8.606 -6.401 2.452 1.00 0.00 C ATOM 606 C LEU A 41 7.301 -5.996 3.148 1.00 0.00 C ATOM 607 O LEU A 41 6.865 -6.619 4.098 1.00 0.00 O ATOM 608 CB LEU A 41 8.420 -7.714 1.695 1.00 0.00 C ATOM 609 CG LEU A 41 7.381 -7.536 0.586 1.00 0.00 C ATOM 610 CD1 LEU A 41 7.866 -6.495 -0.429 1.00 0.00 C ATOM 611 CD2 LEU A 41 7.185 -8.873 -0.115 1.00 0.00 C ATOM 0 H LEU A 41 9.969 -7.653 3.520 1.00 0.00 H new ATOM 0 HA LEU A 41 8.870 -5.575 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.370 -8.034 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.100 -8.497 2.382 1.00 0.00 H new ATOM 0 HG LEU A 41 6.441 -7.194 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.119 -6.376 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.019 -5.540 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.806 -6.827 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.446 -8.763 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.132 -9.202 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.836 -9.613 0.605 1.00 0.00 H new ATOM 623 N VAL A 42 6.671 -4.967 2.650 1.00 0.00 N ATOM 624 CA VAL A 42 5.376 -4.503 3.224 1.00 0.00 C ATOM 625 C VAL A 42 4.364 -4.403 2.084 1.00 0.00 C ATOM 626 O VAL A 42 4.505 -3.596 1.185 1.00 0.00 O ATOM 627 CB VAL A 42 5.677 -3.120 3.810 1.00 0.00 C ATOM 628 CG1 VAL A 42 4.404 -2.524 4.414 1.00 0.00 C ATOM 629 CG2 VAL A 42 6.740 -3.250 4.903 1.00 0.00 C ATOM 0 H VAL A 42 7.005 -4.420 1.857 1.00 0.00 H new ATOM 0 HA VAL A 42 4.967 -5.169 3.984 1.00 0.00 H new ATOM 0 HB VAL A 42 6.041 -2.467 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.624 -1.541 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.644 -2.429 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.036 -3.178 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.955 -2.266 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.373 -3.907 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.651 -3.670 4.476 1.00 0.00 H new ATOM 639 N GLU A 43 3.363 -5.233 2.098 1.00 0.00 N ATOM 640 CA GLU A 43 2.366 -5.216 0.992 1.00 0.00 C ATOM 641 C GLU A 43 1.526 -3.935 0.982 1.00 0.00 C ATOM 642 O GLU A 43 0.928 -3.548 1.967 1.00 0.00 O ATOM 643 CB GLU A 43 1.476 -6.447 1.237 1.00 0.00 C ATOM 644 CG GLU A 43 0.681 -6.278 2.540 1.00 0.00 C ATOM 645 CD GLU A 43 -0.076 -7.568 2.859 1.00 0.00 C ATOM 646 OE1 GLU A 43 -0.524 -8.217 1.928 1.00 0.00 O ATOM 647 OE2 GLU A 43 -0.190 -7.889 4.032 1.00 0.00 O ATOM 0 H GLU A 43 3.190 -5.924 2.828 1.00 0.00 H new ATOM 0 HA GLU A 43 2.862 -5.243 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.791 -6.582 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.092 -7.345 1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.357 -6.031 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.020 -5.449 2.444 1.00 0.00 H new ATOM 654 N CYS A 44 1.422 -3.334 -0.166 1.00 0.00 N ATOM 655 CA CYS A 44 0.547 -2.140 -0.337 1.00 0.00 C ATOM 656 C CYS A 44 -0.839 -2.722 -0.626 1.00 0.00 C ATOM 657 O CYS A 44 -0.963 -3.930 -0.748 1.00 0.00 O ATOM 658 CB CYS A 44 1.100 -1.395 -1.558 1.00 0.00 C ATOM 659 SG CYS A 44 0.955 0.402 -1.355 1.00 0.00 S ATOM 0 H CYS A 44 1.915 -3.624 -1.011 1.00 0.00 H new ATOM 0 HA CYS A 44 0.506 -1.460 0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.146 -1.663 -1.707 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.560 -1.707 -2.452 1.00 0.00 H new ATOM 664 N ASN A 45 -1.889 -1.937 -0.722 1.00 0.00 N ATOM 665 CA ASN A 45 -3.233 -2.564 -0.991 1.00 0.00 C ATOM 666 C ASN A 45 -3.153 -3.475 -2.233 1.00 0.00 C ATOM 667 O ASN A 45 -3.155 -4.687 -2.119 1.00 0.00 O ATOM 668 CB ASN A 45 -4.177 -1.390 -1.257 1.00 0.00 C ATOM 669 CG ASN A 45 -4.574 -0.743 0.070 1.00 0.00 C ATOM 670 OD1 ASN A 45 -4.459 0.455 0.232 1.00 0.00 O ATOM 671 ND2 ASN A 45 -5.046 -1.489 1.031 1.00 0.00 N ATOM 0 H ASN A 45 -1.881 -0.921 -0.630 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.572 -3.180 -0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.690 -0.657 -1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.065 -1.737 -1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.318 -1.066 1.918 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.143 -2.495 0.895 1.00 0.00 H new ATOM 678 N ASN A 46 -3.026 -2.900 -3.399 1.00 0.00 N ATOM 679 CA ASN A 46 -2.878 -3.721 -4.643 1.00 0.00 C ATOM 680 C ASN A 46 -1.453 -3.602 -5.217 1.00 0.00 C ATOM 681 O ASN A 46 -1.266 -3.646 -6.417 1.00 0.00 O ATOM 682 CB ASN A 46 -3.916 -3.168 -5.614 1.00 0.00 C ATOM 683 CG ASN A 46 -5.312 -3.414 -5.035 1.00 0.00 C ATOM 684 OD1 ASN A 46 -6.122 -2.511 -4.967 1.00 0.00 O ATOM 685 ND2 ASN A 46 -5.628 -4.610 -4.613 1.00 0.00 N ATOM 0 H ASN A 46 -3.018 -1.891 -3.547 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.034 -4.783 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.755 -2.102 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.820 -3.652 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.555 -4.786 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.947 -5.367 -4.671 1.00 0.00 H new ATOM 692 N HIS A 47 -0.458 -3.395 -4.385 1.00 0.00 N ATOM 693 CA HIS A 47 0.942 -3.211 -4.905 1.00 0.00 C ATOM 694 C HIS A 47 1.972 -3.676 -3.842 1.00 0.00 C ATOM 695 O HIS A 47 1.664 -3.728 -2.674 1.00 0.00 O ATOM 696 CB HIS A 47 0.972 -1.683 -5.192 1.00 0.00 C ATOM 697 CG HIS A 47 2.339 -1.071 -5.005 1.00 0.00 C ATOM 698 ND1 HIS A 47 2.534 0.124 -4.310 1.00 0.00 N ATOM 699 CD2 HIS A 47 3.586 -1.483 -5.393 1.00 0.00 C ATOM 700 CE1 HIS A 47 3.852 0.371 -4.298 1.00 0.00 C ATOM 701 NE2 HIS A 47 4.533 -0.577 -4.940 1.00 0.00 N ATOM 0 H HIS A 47 -0.552 -3.345 -3.371 1.00 0.00 H new ATOM 0 HA HIS A 47 1.200 -3.796 -5.788 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.638 -1.505 -6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.263 -1.182 -4.533 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.799 -2.375 -5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.305 1.231 -3.827 1.00 0.00 H new ATOM 0 HE2 HIS A 47 5.543 -0.626 -5.071 1.00 0.00 H new ATOM 709 N TYR A 48 3.175 -4.043 -4.237 1.00 0.00 N ATOM 710 CA TYR A 48 4.186 -4.514 -3.226 1.00 0.00 C ATOM 711 C TYR A 48 5.289 -3.470 -3.014 1.00 0.00 C ATOM 712 O TYR A 48 5.886 -2.983 -3.954 1.00 0.00 O ATOM 713 CB TYR A 48 4.840 -5.775 -3.806 1.00 0.00 C ATOM 714 CG TYR A 48 3.803 -6.740 -4.313 1.00 0.00 C ATOM 715 CD1 TYR A 48 3.117 -7.568 -3.421 1.00 0.00 C ATOM 716 CD2 TYR A 48 3.538 -6.806 -5.683 1.00 0.00 C ATOM 717 CE1 TYR A 48 2.161 -8.469 -3.903 1.00 0.00 C ATOM 718 CE2 TYR A 48 2.583 -7.704 -6.167 1.00 0.00 C ATOM 719 CZ TYR A 48 1.894 -8.536 -5.279 1.00 0.00 C ATOM 720 OH TYR A 48 0.954 -9.423 -5.761 1.00 0.00 O ATOM 0 H TYR A 48 3.498 -4.037 -5.205 1.00 0.00 H new ATOM 0 HA TYR A 48 3.690 -4.694 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.512 -5.499 -4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.447 -6.258 -3.041 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.324 -7.513 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.071 -6.163 -6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.629 -9.112 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.377 -7.755 -7.226 1.00 0.00 H new ATOM 0 HH TYR A 48 0.894 -9.338 -6.735 1.00 0.00 H new ATOM 730 N LEU A 49 5.596 -3.184 -1.777 1.00 0.00 N ATOM 731 CA LEU A 49 6.705 -2.237 -1.447 1.00 0.00 C ATOM 732 C LEU A 49 7.443 -2.776 -0.225 1.00 0.00 C ATOM 733 O LEU A 49 6.844 -3.399 0.623 1.00 0.00 O ATOM 734 CB LEU A 49 6.067 -0.875 -1.129 1.00 0.00 C ATOM 735 CG LEU A 49 6.393 0.121 -2.251 1.00 0.00 C ATOM 736 CD1 LEU A 49 5.781 1.485 -1.936 1.00 0.00 C ATOM 737 CD2 LEU A 49 7.908 0.290 -2.386 1.00 0.00 C ATOM 0 H LEU A 49 5.117 -3.573 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 49 7.410 -2.132 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.987 -0.983 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.441 -0.500 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 49 5.980 -0.268 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.018 2.184 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.699 1.387 -1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.189 1.859 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.125 0.999 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.317 0.664 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.362 -0.673 -2.622 1.00 0.00 H new ATOM 749 N CYS A 50 8.724 -2.545 -0.113 1.00 0.00 N ATOM 750 CA CYS A 50 9.458 -3.059 1.083 1.00 0.00 C ATOM 751 C CYS A 50 9.916 -1.883 1.957 1.00 0.00 C ATOM 752 O CYS A 50 10.074 -0.779 1.485 1.00 0.00 O ATOM 753 CB CYS A 50 10.628 -3.915 0.549 1.00 0.00 C ATOM 754 SG CYS A 50 11.891 -2.898 -0.244 1.00 0.00 S ATOM 0 H CYS A 50 9.289 -2.030 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 50 8.830 -3.677 1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.074 -4.475 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 50 10.248 -4.646 -0.165 1.00 0.00 H new ATOM 759 N LEU A 51 10.113 -2.124 3.223 1.00 0.00 N ATOM 760 CA LEU A 51 10.529 -1.038 4.160 1.00 0.00 C ATOM 761 C LEU A 51 11.837 -0.396 3.695 1.00 0.00 C ATOM 762 O LEU A 51 12.097 0.761 3.966 1.00 0.00 O ATOM 763 CB LEU A 51 10.736 -1.729 5.506 1.00 0.00 C ATOM 764 CG LEU A 51 10.577 -0.709 6.630 1.00 0.00 C ATOM 765 CD1 LEU A 51 9.121 -0.688 7.097 1.00 0.00 C ATOM 766 CD2 LEU A 51 11.483 -1.093 7.800 1.00 0.00 C ATOM 0 H LEU A 51 10.002 -3.041 3.656 1.00 0.00 H new ATOM 0 HA LEU A 51 9.784 -0.244 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.014 -2.536 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.728 -2.180 5.547 1.00 0.00 H new ATOM 0 HG LEU A 51 10.856 0.280 6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.007 0.040 7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.475 -0.413 6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.842 -1.676 7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.369 -0.364 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.206 -2.082 8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.521 -1.107 7.467 1.00 0.00 H new ATOM 778 N ASN A 52 12.666 -1.139 3.003 1.00 0.00 N ATOM 779 CA ASN A 52 13.963 -0.562 2.533 1.00 0.00 C ATOM 780 C ASN A 52 13.720 0.648 1.619 1.00 0.00 C ATOM 781 O ASN A 52 14.268 1.712 1.841 1.00 0.00 O ATOM 782 CB ASN A 52 14.637 -1.686 1.745 1.00 0.00 C ATOM 783 CG ASN A 52 15.480 -2.533 2.688 1.00 0.00 C ATOM 784 OD1 ASN A 52 15.043 -3.568 3.150 1.00 0.00 O ATOM 785 ND2 ASN A 52 16.680 -2.135 2.995 1.00 0.00 N ATOM 0 H ASN A 52 12.502 -2.112 2.745 1.00 0.00 H new ATOM 0 HA ASN A 52 14.575 -0.214 3.365 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.884 -2.305 1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.263 -1.267 0.957 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.257 -2.692 3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.044 -1.266 2.605 1.00 0.00 H new ATOM 792 N CYS A 53 12.888 0.505 0.610 1.00 0.00 N ATOM 793 CA CYS A 53 12.601 1.667 -0.293 1.00 0.00 C ATOM 794 C CYS A 53 11.356 2.418 0.186 1.00 0.00 C ATOM 795 O CYS A 53 11.214 3.608 -0.023 1.00 0.00 O ATOM 796 CB CYS A 53 12.436 1.091 -1.712 1.00 0.00 C ATOM 797 SG CYS A 53 10.985 0.010 -1.834 1.00 0.00 S ATOM 0 H CYS A 53 12.400 -0.359 0.375 1.00 0.00 H new ATOM 0 HA CYS A 53 13.410 2.398 -0.286 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.342 1.908 -2.427 1.00 0.00 H new ATOM 0 HB3 CYS A 53 13.331 0.531 -1.983 1.00 0.00 H new ATOM 802 N LEU A 54 10.452 1.720 0.829 1.00 0.00 N ATOM 803 CA LEU A 54 9.198 2.372 1.325 1.00 0.00 C ATOM 804 C LEU A 54 9.546 3.488 2.311 1.00 0.00 C ATOM 805 O LEU A 54 8.994 4.564 2.248 1.00 0.00 O ATOM 806 CB LEU A 54 8.419 1.248 2.023 1.00 0.00 C ATOM 807 CG LEU A 54 7.132 1.791 2.633 1.00 0.00 C ATOM 808 CD1 LEU A 54 6.133 0.650 2.791 1.00 0.00 C ATOM 809 CD2 LEU A 54 7.418 2.390 4.014 1.00 0.00 C ATOM 0 H LEU A 54 10.528 0.723 1.033 1.00 0.00 H new ATOM 0 HA LEU A 54 8.617 2.828 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.185 0.460 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.036 0.798 2.801 1.00 0.00 H new ATOM 0 HG LEU A 54 6.726 2.563 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.210 1.032 3.227 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.920 0.215 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.554 -0.114 3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.493 2.775 4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.827 1.619 4.667 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.138 3.202 3.916 1.00 0.00 H new ATOM 821 N THR A 55 10.448 3.233 3.220 1.00 0.00 N ATOM 822 CA THR A 55 10.837 4.283 4.211 1.00 0.00 C ATOM 823 C THR A 55 11.508 5.469 3.500 1.00 0.00 C ATOM 824 O THR A 55 11.207 6.615 3.773 1.00 0.00 O ATOM 825 CB THR A 55 11.816 3.591 5.167 1.00 0.00 C ATOM 826 OG1 THR A 55 11.145 2.542 5.848 1.00 0.00 O ATOM 827 CG2 THR A 55 12.363 4.600 6.185 1.00 0.00 C ATOM 0 H THR A 55 10.934 2.342 3.321 1.00 0.00 H new ATOM 0 HA THR A 55 9.975 4.687 4.742 1.00 0.00 H new ATOM 0 HB THR A 55 12.648 3.183 4.594 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.641 2.310 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.057 4.097 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.883 5.401 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.538 5.019 6.761 1.00 0.00 H new ATOM 835 N LEU A 56 12.423 5.199 2.597 1.00 0.00 N ATOM 836 CA LEU A 56 13.126 6.311 1.876 1.00 0.00 C ATOM 837 C LEU A 56 12.131 7.135 1.058 1.00 0.00 C ATOM 838 O LEU A 56 12.177 8.350 1.063 1.00 0.00 O ATOM 839 CB LEU A 56 14.148 5.623 0.963 1.00 0.00 C ATOM 840 CG LEU A 56 14.939 6.674 0.172 1.00 0.00 C ATOM 841 CD1 LEU A 56 15.710 7.584 1.135 1.00 0.00 C ATOM 842 CD2 LEU A 56 15.929 5.967 -0.754 1.00 0.00 C ATOM 0 H LEU A 56 12.713 4.259 2.328 1.00 0.00 H new ATOM 0 HA LEU A 56 13.607 7.003 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.829 5.016 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.638 4.948 0.276 1.00 0.00 H new ATOM 0 HG LEU A 56 14.246 7.278 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.268 8.327 0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.008 8.089 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.402 6.985 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 56 16.493 6.709 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.616 5.364 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.385 5.323 -1.445 1.00 0.00 H new ATOM 854 N LEU A 57 11.230 6.489 0.366 1.00 0.00 N ATOM 855 CA LEU A 57 10.227 7.247 -0.440 1.00 0.00 C ATOM 856 C LEU A 57 8.892 7.335 0.301 1.00 0.00 C ATOM 857 O LEU A 57 7.889 7.675 -0.292 1.00 0.00 O ATOM 858 CB LEU A 57 10.029 6.436 -1.722 1.00 0.00 C ATOM 859 CG LEU A 57 9.125 7.223 -2.693 1.00 0.00 C ATOM 860 CD1 LEU A 57 9.753 7.228 -4.085 1.00 0.00 C ATOM 861 CD2 LEU A 57 7.732 6.577 -2.774 1.00 0.00 C ATOM 0 H LEU A 57 11.145 5.473 0.324 1.00 0.00 H new ATOM 0 HA LEU A 57 10.570 8.263 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.993 6.233 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.578 5.471 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 57 9.024 8.244 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.114 7.784 -4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.734 7.700 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.860 6.203 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.107 7.145 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.827 5.551 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.273 6.576 -1.785 1.00 0.00 H new ATOM 873 N LEU A 58 8.846 7.002 1.578 1.00 0.00 N ATOM 874 CA LEU A 58 7.539 7.026 2.327 1.00 0.00 C ATOM 875 C LEU A 58 6.579 6.032 1.673 1.00 0.00 C ATOM 876 O LEU A 58 6.516 5.938 0.462 1.00 0.00 O ATOM 877 CB LEU A 58 6.986 8.460 2.224 1.00 0.00 C ATOM 878 CG LEU A 58 7.337 9.238 3.488 1.00 0.00 C ATOM 879 CD1 LEU A 58 7.319 10.745 3.181 1.00 0.00 C ATOM 880 CD2 LEU A 58 6.314 8.904 4.583 1.00 0.00 C ATOM 0 H LEU A 58 9.654 6.716 2.131 1.00 0.00 H new ATOM 0 HA LEU A 58 7.665 6.747 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.404 8.959 1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.905 8.434 2.090 1.00 0.00 H new ATOM 0 HG LEU A 58 8.333 8.961 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.570 11.303 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.049 10.967 2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.325 11.035 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.558 9.457 5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.316 9.183 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.340 7.834 4.792 1.00 0.00 H new ATOM 892 N SER A 59 5.816 5.288 2.437 1.00 0.00 N ATOM 893 CA SER A 59 4.866 4.337 1.783 1.00 0.00 C ATOM 894 C SER A 59 3.807 5.178 1.074 1.00 0.00 C ATOM 895 O SER A 59 3.745 5.234 -0.139 1.00 0.00 O ATOM 896 CB SER A 59 4.259 3.497 2.902 1.00 0.00 C ATOM 897 OG SER A 59 3.628 4.348 3.846 1.00 0.00 O ATOM 0 H SER A 59 5.808 5.296 3.457 1.00 0.00 H new ATOM 0 HA SER A 59 5.337 3.679 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.535 2.793 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.035 2.908 3.390 1.00 0.00 H new ATOM 0 HG SER A 59 3.237 3.807 4.564 1.00 0.00 H new ATOM 903 N VAL A 60 3.026 5.885 1.839 1.00 0.00 N ATOM 904 CA VAL A 60 2.001 6.795 1.263 1.00 0.00 C ATOM 905 C VAL A 60 1.875 8.025 2.158 1.00 0.00 C ATOM 906 O VAL A 60 0.839 8.258 2.755 1.00 0.00 O ATOM 907 CB VAL A 60 0.683 6.018 1.234 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.818 4.812 0.303 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.318 5.544 2.646 1.00 0.00 C ATOM 0 H VAL A 60 3.056 5.870 2.858 1.00 0.00 H new ATOM 0 HA VAL A 60 2.268 7.125 0.259 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.107 6.673 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.122 4.260 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.058 5.154 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.614 4.161 0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.622 4.992 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.107 4.895 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.209 6.407 3.303 1.00 0.00 H new ATOM 919 N SER A 61 2.915 8.820 2.265 1.00 0.00 N ATOM 920 CA SER A 61 2.827 10.039 3.132 1.00 0.00 C ATOM 921 C SER A 61 1.629 10.881 2.690 1.00 0.00 C ATOM 922 O SER A 61 0.863 11.370 3.498 1.00 0.00 O ATOM 923 CB SER A 61 4.130 10.799 2.909 1.00 0.00 C ATOM 924 OG SER A 61 4.331 11.701 3.989 1.00 0.00 O ATOM 0 H SER A 61 3.810 8.680 1.796 1.00 0.00 H new ATOM 0 HA SER A 61 2.692 9.794 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.965 10.102 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.091 11.344 1.966 1.00 0.00 H new ATOM 0 HG SER A 61 4.951 12.408 3.714 1.00 0.00 H new ATOM 930 N ASN A 62 1.449 11.006 1.404 1.00 0.00 N ATOM 931 CA ASN A 62 0.286 11.762 0.870 1.00 0.00 C ATOM 932 C ASN A 62 -0.479 10.867 -0.105 1.00 0.00 C ATOM 933 O ASN A 62 -1.689 10.756 -0.046 1.00 0.00 O ATOM 934 CB ASN A 62 0.885 12.963 0.140 1.00 0.00 C ATOM 935 CG ASN A 62 1.530 13.902 1.158 1.00 0.00 C ATOM 936 OD1 ASN A 62 1.068 14.012 2.277 1.00 0.00 O ATOM 937 ND2 ASN A 62 2.587 14.586 0.819 1.00 0.00 N ATOM 0 H ASN A 62 2.066 10.611 0.694 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.408 12.079 1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.627 12.629 -0.585 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.109 13.489 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.026 15.213 1.493 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.975 14.494 -0.120 1.00 0.00 H new ATOM 944 N ARG A 63 0.227 10.232 -1.003 1.00 0.00 N ATOM 945 CA ARG A 63 -0.442 9.340 -1.994 1.00 0.00 C ATOM 946 C ARG A 63 0.544 8.312 -2.554 1.00 0.00 C ATOM 947 O ARG A 63 1.733 8.562 -2.621 1.00 0.00 O ATOM 948 CB ARG A 63 -0.895 10.291 -3.098 1.00 0.00 C ATOM 949 CG ARG A 63 -1.682 9.524 -4.154 1.00 0.00 C ATOM 950 CD ARG A 63 -2.078 10.486 -5.267 1.00 0.00 C ATOM 951 NE ARG A 63 -2.966 9.686 -6.158 1.00 0.00 N ATOM 952 CZ ARG A 63 -2.472 8.859 -7.064 1.00 0.00 C ATOM 953 NH1 ARG A 63 -1.185 8.606 -7.144 1.00 0.00 N ATOM 954 NH2 ARG A 63 -3.285 8.264 -7.889 1.00 0.00 N ATOM 0 H ARG A 63 1.241 10.293 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.263 8.773 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.513 11.084 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.029 10.771 -3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.079 8.709 -4.556 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.570 9.074 -3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.597 11.359 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.203 10.852 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.978 9.779 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.536 9.053 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.835 7.963 -7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.288 8.438 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.919 7.623 -8.593 1.00 0.00 H new ATOM 968 N CYS A 64 0.057 7.181 -3.004 1.00 0.00 N ATOM 969 CA CYS A 64 0.968 6.170 -3.615 1.00 0.00 C ATOM 970 C CYS A 64 0.875 6.349 -5.146 1.00 0.00 C ATOM 971 O CYS A 64 -0.175 6.130 -5.721 1.00 0.00 O ATOM 972 CB CYS A 64 0.447 4.798 -3.169 1.00 0.00 C ATOM 973 SG CYS A 64 1.731 3.547 -3.460 1.00 0.00 S ATOM 0 H CYS A 64 -0.928 6.917 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 64 2.011 6.274 -3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.180 4.823 -2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.458 4.543 -3.720 1.00 0.00 H new ATOM 978 N PRO A 65 1.948 6.811 -5.757 1.00 0.00 N ATOM 979 CA PRO A 65 1.920 7.094 -7.222 1.00 0.00 C ATOM 980 C PRO A 65 1.750 5.828 -8.068 1.00 0.00 C ATOM 981 O PRO A 65 1.134 5.864 -9.119 1.00 0.00 O ATOM 982 CB PRO A 65 3.280 7.747 -7.480 1.00 0.00 C ATOM 983 CG PRO A 65 4.154 7.260 -6.372 1.00 0.00 C ATOM 984 CD PRO A 65 3.266 7.094 -5.174 1.00 0.00 C ATOM 0 HA PRO A 65 1.073 7.721 -7.500 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.678 7.460 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 65 3.204 8.834 -7.475 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.628 6.315 -6.638 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.954 7.971 -6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.605 6.279 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.248 7.995 -4.561 1.00 0.00 H new ATOM 992 N ILE A 66 2.294 4.723 -7.635 1.00 0.00 N ATOM 993 CA ILE A 66 2.167 3.464 -8.434 1.00 0.00 C ATOM 994 C ILE A 66 0.775 2.843 -8.282 1.00 0.00 C ATOM 995 O ILE A 66 0.267 2.238 -9.207 1.00 0.00 O ATOM 996 CB ILE A 66 3.254 2.527 -7.914 1.00 0.00 C ATOM 997 CG1 ILE A 66 3.229 1.225 -8.723 1.00 0.00 C ATOM 998 CG2 ILE A 66 3.026 2.221 -6.436 1.00 0.00 C ATOM 999 CD1 ILE A 66 4.483 0.406 -8.418 1.00 0.00 C ATOM 0 H ILE A 66 2.820 4.635 -6.766 1.00 0.00 H new ATOM 0 HA ILE A 66 2.289 3.659 -9.499 1.00 0.00 H new ATOM 0 HB ILE A 66 4.225 3.009 -8.025 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.337 0.649 -8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 66 3.179 1.448 -9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.808 1.552 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.052 3.149 -5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.054 1.744 -6.309 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.463 -0.519 -8.994 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.368 0.982 -8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.514 0.170 -7.354 1.00 0.00 H new ATOM 1011 N CYS A 67 0.152 2.990 -7.139 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.210 2.407 -6.971 1.00 0.00 C ATOM 1013 C CYS A 67 -2.209 3.170 -7.854 1.00 0.00 C ATOM 1014 O CYS A 67 -3.321 2.729 -8.060 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.560 2.554 -5.494 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.869 1.162 -4.573 1.00 0.00 S ATOM 0 H CYS A 67 0.523 3.482 -6.326 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.246 1.359 -7.270 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.164 3.493 -5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.642 2.587 -5.367 1.00 0.00 H new ATOM 1021 N LYS A 68 -1.814 4.316 -8.382 1.00 0.00 N ATOM 1022 CA LYS A 68 -2.720 5.118 -9.268 1.00 0.00 C ATOM 1023 C LYS A 68 -4.044 5.414 -8.572 1.00 0.00 C ATOM 1024 O LYS A 68 -5.066 5.585 -9.214 1.00 0.00 O ATOM 1025 CB LYS A 68 -2.948 4.249 -10.507 1.00 0.00 C ATOM 1026 CG LYS A 68 -1.643 4.133 -11.291 1.00 0.00 C ATOM 1027 CD LYS A 68 -1.872 3.252 -12.518 1.00 0.00 C ATOM 1028 CE LYS A 68 -0.591 3.195 -13.352 1.00 0.00 C ATOM 1029 NZ LYS A 68 0.408 2.504 -12.486 1.00 0.00 N ATOM 0 H LYS A 68 -0.893 4.728 -8.232 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.281 6.083 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.297 3.260 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.724 4.687 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.299 5.121 -11.597 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.863 3.705 -10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -2.162 2.248 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.691 3.650 -13.117 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.750 2.649 -14.282 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.253 4.195 -13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.931 1.804 -13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.073 3.203 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.083 2.023 -11.706 1.00 0.00 H new ATOM 1043 N MET A 69 -4.033 5.484 -7.269 1.00 0.00 N ATOM 1044 CA MET A 69 -5.297 5.781 -6.531 1.00 0.00 C ATOM 1045 C MET A 69 -5.037 6.727 -5.342 1.00 0.00 C ATOM 1046 O MET A 69 -3.921 6.837 -4.869 1.00 0.00 O ATOM 1047 CB MET A 69 -5.818 4.423 -6.049 1.00 0.00 C ATOM 1048 CG MET A 69 -4.836 3.815 -5.050 1.00 0.00 C ATOM 1049 SD MET A 69 -5.213 2.059 -4.828 1.00 0.00 S ATOM 1050 CE MET A 69 -6.521 2.279 -3.598 1.00 0.00 C ATOM 0 H MET A 69 -3.208 5.349 -6.684 1.00 0.00 H new ATOM 0 HA MET A 69 -6.023 6.288 -7.167 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.796 4.543 -5.583 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.949 3.752 -6.898 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.814 3.936 -5.409 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.903 4.336 -4.095 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.913 1.305 -3.305 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.115 2.785 -2.722 1.00 0.00 H new ATOM 0 HE3 MET A 69 -7.324 2.880 -4.025 1.00 0.00 H new ATOM 1060 N PRO A 70 -6.084 7.381 -4.897 1.00 0.00 N ATOM 1061 CA PRO A 70 -5.962 8.321 -3.762 1.00 0.00 C ATOM 1062 C PRO A 70 -5.899 7.573 -2.427 1.00 0.00 C ATOM 1063 O PRO A 70 -6.421 6.482 -2.288 1.00 0.00 O ATOM 1064 CB PRO A 70 -7.234 9.155 -3.851 1.00 0.00 C ATOM 1065 CG PRO A 70 -8.230 8.286 -4.555 1.00 0.00 C ATOM 1066 CD PRO A 70 -7.462 7.309 -5.404 1.00 0.00 C ATOM 0 HA PRO A 70 -5.052 8.920 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.589 9.437 -2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.060 10.079 -4.402 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.855 7.758 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.896 8.889 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.866 6.301 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.511 7.577 -6.459 1.00 0.00 H new ATOM 1074 N LEU A 71 -5.277 8.168 -1.441 1.00 0.00 N ATOM 1075 CA LEU A 71 -5.189 7.516 -0.102 1.00 0.00 C ATOM 1076 C LEU A 71 -5.977 8.335 0.930 1.00 0.00 C ATOM 1077 O LEU A 71 -5.464 9.292 1.478 1.00 0.00 O ATOM 1078 CB LEU A 71 -3.690 7.486 0.248 1.00 0.00 C ATOM 1079 CG LEU A 71 -3.189 6.033 0.296 1.00 0.00 C ATOM 1080 CD1 LEU A 71 -3.965 5.252 1.366 1.00 0.00 C ATOM 1081 CD2 LEU A 71 -3.400 5.374 -1.074 1.00 0.00 C ATOM 0 H LEU A 71 -4.825 9.080 -1.507 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.613 6.512 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.124 8.050 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.523 7.969 1.211 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.128 6.025 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.607 4.223 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.812 5.718 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.027 5.259 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.045 4.344 -1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.461 5.384 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.844 5.925 -1.832 1.00 0.00 H new ATOM 1093 N PRO A 72 -7.211 7.942 1.164 1.00 0.00 N ATOM 1094 CA PRO A 72 -8.059 8.671 2.140 1.00 0.00 C ATOM 1095 C PRO A 72 -7.534 8.480 3.566 1.00 0.00 C ATOM 1096 O PRO A 72 -6.936 7.471 3.889 1.00 0.00 O ATOM 1097 CB PRO A 72 -9.434 8.028 1.973 1.00 0.00 C ATOM 1098 CG PRO A 72 -9.152 6.665 1.434 1.00 0.00 C ATOM 1099 CD PRO A 72 -7.931 6.799 0.569 1.00 0.00 C ATOM 0 HA PRO A 72 -8.073 9.747 1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.965 7.976 2.924 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.059 8.602 1.290 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.980 5.955 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.998 6.292 0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.327 5.892 0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.195 6.989 -0.471 1.00 0.00 H new ATOM 1107 N THR A 73 -7.763 9.447 4.415 1.00 0.00 N ATOM 1108 CA THR A 73 -7.294 9.343 5.830 1.00 0.00 C ATOM 1109 C THR A 73 -8.268 8.481 6.635 1.00 0.00 C ATOM 1110 O THR A 73 -9.465 8.699 6.612 1.00 0.00 O ATOM 1111 CB THR A 73 -7.295 10.780 6.357 1.00 0.00 C ATOM 1112 OG1 THR A 73 -6.473 11.589 5.528 1.00 0.00 O ATOM 1113 CG2 THR A 73 -6.761 10.803 7.791 1.00 0.00 C ATOM 0 H THR A 73 -8.258 10.310 4.188 1.00 0.00 H new ATOM 0 HA THR A 73 -6.309 8.882 5.909 1.00 0.00 H new ATOM 0 HB THR A 73 -8.313 11.169 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.475 12.510 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.763 11.827 8.164 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.396 10.185 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.743 10.413 7.807 1.00 0.00 H new ATOM 1121 N LYS A 74 -7.760 7.507 7.344 1.00 0.00 N ATOM 1122 CA LYS A 74 -8.651 6.622 8.158 1.00 0.00 C ATOM 1123 C LYS A 74 -9.399 7.450 9.210 1.00 0.00 C ATOM 1124 O LYS A 74 -8.830 8.316 9.845 1.00 0.00 O ATOM 1125 CB LYS A 74 -7.711 5.605 8.825 1.00 0.00 C ATOM 1126 CG LYS A 74 -6.737 6.326 9.763 1.00 0.00 C ATOM 1127 CD LYS A 74 -5.769 5.317 10.373 1.00 0.00 C ATOM 1128 CE LYS A 74 -4.797 6.048 11.297 1.00 0.00 C ATOM 1129 NZ LYS A 74 -3.916 4.982 11.840 1.00 0.00 N ATOM 0 H LYS A 74 -6.766 7.285 7.396 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.409 6.127 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.293 4.873 9.385 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.156 5.057 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.185 7.088 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.288 6.838 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.319 4.559 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.221 4.799 9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.222 6.798 10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.326 6.569 12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.218 5.404 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.491 4.287 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.421 4.508 11.057 1.00 0.00 H new ATOM 1143 N LEU A 75 -10.666 7.186 9.394 1.00 0.00 N ATOM 1144 CA LEU A 75 -11.453 7.953 10.402 1.00 0.00 C ATOM 1145 C LEU A 75 -11.804 7.059 11.587 1.00 0.00 C ATOM 1146 O LEU A 75 -12.347 5.982 11.421 1.00 0.00 O ATOM 1147 CB LEU A 75 -12.716 8.393 9.666 1.00 0.00 C ATOM 1148 CG LEU A 75 -13.492 9.380 10.536 1.00 0.00 C ATOM 1149 CD1 LEU A 75 -14.241 10.364 9.639 1.00 0.00 C ATOM 1150 CD2 LEU A 75 -14.494 8.616 11.403 1.00 0.00 C ATOM 0 H LEU A 75 -11.190 6.471 8.889 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.899 8.803 10.801 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.453 8.857 8.716 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -13.337 7.527 9.437 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.799 9.925 11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.796 11.070 10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.527 10.907 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.935 9.818 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.048 9.320 12.024 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.188 8.072 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.960 7.911 12.041 1.00 0.00 H new ATOM 1162 N ARG A 76 -11.493 7.489 12.781 1.00 0.00 N ATOM 1163 CA ARG A 76 -11.805 6.652 13.975 1.00 0.00 C ATOM 1164 C ARG A 76 -13.293 6.778 14.348 1.00 0.00 C ATOM 1165 O ARG A 76 -13.799 7.876 14.472 1.00 0.00 O ATOM 1166 CB ARG A 76 -10.923 7.191 15.097 1.00 0.00 C ATOM 1167 CG ARG A 76 -9.599 6.438 15.081 1.00 0.00 C ATOM 1168 CD ARG A 76 -8.551 7.244 15.839 1.00 0.00 C ATOM 1169 NE ARG A 76 -8.994 7.218 17.266 1.00 0.00 N ATOM 1170 CZ ARG A 76 -8.664 8.187 18.099 1.00 0.00 C ATOM 1171 NH1 ARG A 76 -7.705 9.037 17.813 1.00 0.00 N ATOM 1172 NH2 ARG A 76 -9.299 8.301 19.232 1.00 0.00 N ATOM 0 H ARG A 76 -11.038 8.380 12.980 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.615 5.595 13.787 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.752 8.259 14.963 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.418 7.065 16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.720 5.456 15.539 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.274 6.273 14.054 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.560 6.805 15.726 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.492 8.266 15.463 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.560 6.439 17.602 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.198 8.956 16.932 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.467 9.778 18.472 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.043 7.645 19.468 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.051 9.047 19.883 1.00 0.00 H new ATOM 1186 N PRO A 77 -13.955 5.650 14.511 1.00 0.00 N ATOM 1187 CA PRO A 77 -15.396 5.670 14.867 1.00 0.00 C ATOM 1188 C PRO A 77 -15.595 6.116 16.321 1.00 0.00 C ATOM 1189 O PRO A 77 -16.679 6.511 16.711 1.00 0.00 O ATOM 1190 CB PRO A 77 -15.837 4.221 14.672 1.00 0.00 C ATOM 1191 CG PRO A 77 -14.593 3.410 14.831 1.00 0.00 C ATOM 1192 CD PRO A 77 -13.441 4.276 14.400 1.00 0.00 C ATOM 0 HA PRO A 77 -15.972 6.370 14.262 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -16.590 3.936 15.407 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.281 4.073 13.687 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -14.470 3.093 15.867 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -14.643 2.506 14.225 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.570 4.125 15.038 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -13.133 4.048 13.380 1.00 0.00 H new ATOM 1200 N SER A 78 -14.563 6.053 17.125 1.00 0.00 N ATOM 1201 CA SER A 78 -14.691 6.469 18.557 1.00 0.00 C ATOM 1202 C SER A 78 -14.955 7.973 18.649 1.00 0.00 C ATOM 1203 O SER A 78 -14.390 8.756 17.911 1.00 0.00 O ATOM 1204 CB SER A 78 -13.346 6.119 19.198 1.00 0.00 C ATOM 1205 OG SER A 78 -13.365 6.491 20.570 1.00 0.00 O ATOM 0 H SER A 78 -13.635 5.731 16.851 1.00 0.00 H new ATOM 0 HA SER A 78 -15.521 5.970 19.058 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.152 5.051 19.102 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.538 6.637 18.681 1.00 0.00 H new ATOM 0 HG SER A 78 -12.505 6.266 20.982 1.00 0.00 H new ATOM 1211 N ALA A 79 -15.804 8.377 19.557 1.00 0.00 N ATOM 1212 CA ALA A 79 -16.111 9.829 19.714 1.00 0.00 C ATOM 1213 C ALA A 79 -16.195 10.184 21.201 1.00 0.00 C ATOM 1214 O ALA A 79 -16.660 9.403 22.008 1.00 0.00 O ATOM 1215 CB ALA A 79 -17.468 10.025 19.036 1.00 0.00 C ATOM 0 H ALA A 79 -16.300 7.760 20.200 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.345 10.467 19.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -17.764 11.072 19.110 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.394 9.742 17.986 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.214 9.402 19.529 1.00 0.00 H new ATOM 1221 N ALA A 80 -15.749 11.358 21.562 1.00 0.00 N ATOM 1222 CA ALA A 80 -15.799 11.780 22.994 1.00 0.00 C ATOM 1223 C ALA A 80 -15.516 13.288 23.102 1.00 0.00 C ATOM 1224 O ALA A 80 -14.497 13.688 23.632 1.00 0.00 O ATOM 1225 CB ALA A 80 -14.709 10.962 23.689 1.00 0.00 C ATOM 0 H ALA A 80 -15.350 12.047 20.924 1.00 0.00 H new ATOM 0 HA ALA A 80 -16.774 11.609 23.449 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -14.683 11.216 24.749 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -14.924 9.899 23.576 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.742 11.187 23.238 1.00 0.00 H new ATOM 1231 N PRO A 81 -16.430 14.082 22.588 1.00 0.00 N ATOM 1232 CA PRO A 81 -16.259 15.553 22.632 1.00 0.00 C ATOM 1233 C PRO A 81 -16.552 16.079 24.039 1.00 0.00 C ATOM 1234 O PRO A 81 -17.674 16.031 24.506 1.00 0.00 O ATOM 1235 CB PRO A 81 -17.300 16.066 21.643 1.00 0.00 C ATOM 1236 CG PRO A 81 -18.353 15.004 21.595 1.00 0.00 C ATOM 1237 CD PRO A 81 -17.688 13.696 21.926 1.00 0.00 C ATOM 0 HA PRO A 81 -15.247 15.873 22.385 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.717 17.019 21.969 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.861 16.230 20.659 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -19.149 15.221 22.307 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -18.811 14.962 20.607 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -18.312 13.088 22.581 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -17.500 13.107 21.028 1.00 0.00 H new ATOM 1245 N THR A 82 -15.551 16.584 24.713 1.00 0.00 N ATOM 1246 CA THR A 82 -15.762 17.122 26.089 1.00 0.00 C ATOM 1247 C THR A 82 -15.222 18.551 26.174 1.00 0.00 C ATOM 1248 O THR A 82 -14.090 18.815 25.813 1.00 0.00 O ATOM 1249 CB THR A 82 -14.968 16.191 27.009 1.00 0.00 C ATOM 1250 OG1 THR A 82 -15.419 14.857 26.829 1.00 0.00 O ATOM 1251 CG2 THR A 82 -15.175 16.605 28.469 1.00 0.00 C ATOM 0 H THR A 82 -14.593 16.647 24.368 1.00 0.00 H new ATOM 0 HA THR A 82 -16.816 17.158 26.365 1.00 0.00 H new ATOM 0 HB THR A 82 -13.908 16.258 26.763 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.911 14.258 27.415 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.608 15.939 29.120 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.831 17.630 28.609 1.00 0.00 H new ATOM 0 HG23 THR A 82 -16.234 16.541 28.719 1.00 0.00 H new ATOM 1259 N ALA A 83 -16.018 19.471 26.650 1.00 0.00 N ATOM 1260 CA ALA A 83 -15.550 20.884 26.763 1.00 0.00 C ATOM 1261 C ALA A 83 -16.247 21.575 27.944 1.00 0.00 C ATOM 1262 O ALA A 83 -17.183 22.327 27.752 1.00 0.00 O ATOM 1263 CB ALA A 83 -15.933 21.541 25.438 1.00 0.00 C ATOM 0 H ALA A 83 -16.974 19.305 26.966 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.478 20.954 26.946 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -15.620 22.585 25.446 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.439 21.020 24.618 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.013 21.487 25.304 1.00 0.00 H new ATOM 1269 N PRO A 84 -15.771 21.295 29.137 1.00 0.00 N ATOM 1270 CA PRO A 84 -16.370 21.904 30.347 1.00 0.00 C ATOM 1271 C PRO A 84 -15.957 23.380 30.469 1.00 0.00 C ATOM 1272 O PRO A 84 -14.913 23.767 29.982 1.00 0.00 O ATOM 1273 CB PRO A 84 -15.785 21.085 31.492 1.00 0.00 C ATOM 1274 CG PRO A 84 -14.499 20.537 30.965 1.00 0.00 C ATOM 1275 CD PRO A 84 -14.650 20.400 29.474 1.00 0.00 C ATOM 0 HA PRO A 84 -17.460 21.892 30.333 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.617 21.704 32.373 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.462 20.284 31.789 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.670 21.201 31.208 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.278 19.571 31.419 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -13.738 20.692 28.953 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.864 19.370 29.189 1.00 0.00 H new ATOM 1283 N PRO A 85 -16.792 24.162 31.117 1.00 0.00 N ATOM 1284 CA PRO A 85 -16.491 25.605 31.294 1.00 0.00 C ATOM 1285 C PRO A 85 -15.370 25.792 32.319 1.00 0.00 C ATOM 1286 O PRO A 85 -15.187 24.981 33.206 1.00 0.00 O ATOM 1287 CB PRO A 85 -17.805 26.185 31.808 1.00 0.00 C ATOM 1288 CG PRO A 85 -18.503 25.038 32.464 1.00 0.00 C ATOM 1289 CD PRO A 85 -18.072 23.792 31.742 1.00 0.00 C ATOM 0 HA PRO A 85 -16.149 26.089 30.379 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -17.629 26.996 32.514 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.401 26.596 30.993 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.243 24.981 33.521 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -19.585 25.162 32.408 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -17.952 22.955 32.429 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -18.807 23.490 30.996 1.00 0.00 H new ATOM 1297 N THR A 86 -14.625 26.860 32.203 1.00 0.00 N ATOM 1298 CA THR A 86 -13.515 27.117 33.170 1.00 0.00 C ATOM 1299 C THR A 86 -13.551 28.576 33.630 1.00 0.00 C ATOM 1300 O THR A 86 -14.064 29.437 32.940 1.00 0.00 O ATOM 1301 CB THR A 86 -12.228 26.827 32.391 1.00 0.00 C ATOM 1302 OG1 THR A 86 -12.144 27.706 31.278 1.00 0.00 O ATOM 1303 CG2 THR A 86 -12.238 25.377 31.904 1.00 0.00 C ATOM 0 H THR A 86 -14.737 27.568 31.478 1.00 0.00 H new ATOM 0 HA THR A 86 -13.592 26.498 34.064 1.00 0.00 H new ATOM 0 HB THR A 86 -11.366 26.980 33.040 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.321 27.524 30.779 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.322 25.173 31.350 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.301 24.706 32.761 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.098 25.218 31.254 1.00 0.00 H new ATOM 1311 N GLY A 87 -13.011 28.861 34.788 1.00 0.00 N ATOM 1312 CA GLY A 87 -13.013 30.265 35.297 1.00 0.00 C ATOM 1313 C GLY A 87 -14.450 30.705 35.581 1.00 0.00 C ATOM 1314 O GLY A 87 -14.783 31.870 35.479 1.00 0.00 O ATOM 0 H GLY A 87 -12.568 28.179 35.404 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -12.414 30.334 36.205 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.557 30.929 34.563 1.00 0.00 H new ATOM 1318 N ALA A 88 -15.306 29.777 35.936 1.00 0.00 N ATOM 1319 CA ALA A 88 -16.728 30.133 36.226 1.00 0.00 C ATOM 1320 C ALA A 88 -16.883 30.520 37.700 1.00 0.00 C ATOM 1321 O ALA A 88 -17.450 29.786 38.489 1.00 0.00 O ATOM 1322 CB ALA A 88 -17.527 28.864 35.918 1.00 0.00 C ATOM 0 H ALA A 88 -15.079 28.788 36.037 1.00 0.00 H new ATOM 0 HA ALA A 88 -17.071 30.982 35.635 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -18.585 29.045 36.107 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -17.387 28.591 34.872 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -17.179 28.051 36.555 1.00 0.00 H new ATOM 1328 N ALA A 89 -16.385 31.670 38.073 1.00 0.00 N ATOM 1329 CA ALA A 89 -16.500 32.115 39.493 1.00 0.00 C ATOM 1330 C ALA A 89 -16.724 33.627 39.556 1.00 0.00 C ATOM 1331 O ALA A 89 -16.028 34.392 38.916 1.00 0.00 O ATOM 1332 CB ALA A 89 -15.163 31.744 40.132 1.00 0.00 C ATOM 0 H ALA A 89 -15.903 32.321 37.454 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.341 31.648 40.006 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.167 32.039 41.181 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.011 30.667 40.059 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.356 32.260 39.613 1.00 0.00 H new ATOM 1338 N ASP A 90 -17.690 34.056 40.326 1.00 0.00 N ATOM 1339 CA ASP A 90 -17.968 35.521 40.439 1.00 0.00 C ATOM 1340 C ASP A 90 -16.754 36.245 41.028 1.00 0.00 C ATOM 1341 O ASP A 90 -16.348 37.284 40.546 1.00 0.00 O ATOM 1342 CB ASP A 90 -19.171 35.637 41.381 1.00 0.00 C ATOM 1343 CG ASP A 90 -19.682 37.081 41.397 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -18.883 37.978 41.177 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -20.864 37.266 41.634 1.00 0.00 O ATOM 0 H ASP A 90 -18.299 33.456 40.882 1.00 0.00 H new ATOM 0 HA ASP A 90 -18.171 35.974 39.469 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -19.965 34.965 41.056 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -18.887 35.331 42.388 1.00 0.00 H new ATOM 1350 N SER A 91 -16.176 35.697 42.065 1.00 0.00 N ATOM 1351 CA SER A 91 -14.985 36.340 42.693 1.00 0.00 C ATOM 1352 C SER A 91 -14.163 35.292 43.445 1.00 0.00 C ATOM 1353 O SER A 91 -14.684 34.286 43.887 1.00 0.00 O ATOM 1354 CB SER A 91 -15.559 37.374 43.659 1.00 0.00 C ATOM 1355 OG SER A 91 -16.014 38.499 42.917 1.00 0.00 O ATOM 0 H SER A 91 -16.479 34.828 42.505 1.00 0.00 H new ATOM 0 HA SER A 91 -14.321 36.798 41.960 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.381 36.941 44.229 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.799 37.680 44.378 1.00 0.00 H new ATOM 0 HG SER A 91 -15.918 38.319 41.958 1.00 0.00 H new ATOM 1361 N ILE A 92 -12.884 35.524 43.594 1.00 0.00 N ATOM 1362 CA ILE A 92 -12.021 34.543 44.320 1.00 0.00 C ATOM 1363 C ILE A 92 -11.387 35.213 45.542 1.00 0.00 C ATOM 1364 O ILE A 92 -10.785 36.264 45.439 1.00 0.00 O ATOM 1365 CB ILE A 92 -10.941 34.136 43.314 1.00 0.00 C ATOM 1366 CG1 ILE A 92 -11.600 33.475 42.103 1.00 0.00 C ATOM 1367 CG2 ILE A 92 -9.975 33.139 43.968 1.00 0.00 C ATOM 1368 CD1 ILE A 92 -10.566 33.315 40.989 1.00 0.00 C ATOM 0 H ILE A 92 -12.399 36.351 43.244 1.00 0.00 H new ATOM 0 HA ILE A 92 -12.585 33.682 44.678 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.391 35.022 42.998 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -12.005 32.502 42.381 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -12.436 34.081 41.754 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.208 32.851 43.249 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.505 33.603 44.835 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -10.526 32.253 44.285 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.033 32.844 40.124 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -10.182 34.295 40.705 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -9.744 32.692 41.342 1.00 0.00 H new ATOM 1380 N ARG A 93 -11.514 34.608 46.699 1.00 0.00 N ATOM 1381 CA ARG A 93 -10.918 35.197 47.943 1.00 0.00 C ATOM 1382 C ARG A 93 -11.365 36.658 48.099 1.00 0.00 C ATOM 1383 O ARG A 93 -10.545 37.554 48.154 1.00 0.00 O ATOM 1384 CB ARG A 93 -9.402 35.098 47.749 1.00 0.00 C ATOM 1385 CG ARG A 93 -8.892 33.824 48.423 1.00 0.00 C ATOM 1386 CD ARG A 93 -9.305 32.606 47.593 1.00 0.00 C ATOM 1387 NE ARG A 93 -8.300 31.560 47.928 1.00 0.00 N ATOM 1388 CZ ARG A 93 -8.684 30.332 48.145 1.00 0.00 C ATOM 1389 NH1 ARG A 93 -9.560 30.077 49.077 1.00 0.00 N ATOM 1390 NH2 ARG A 93 -8.189 29.361 47.430 1.00 0.00 N ATOM 0 H ARG A 93 -12.008 33.726 46.837 1.00 0.00 H new ATOM 0 HA ARG A 93 -11.236 34.675 48.846 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.159 35.084 46.686 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.911 35.972 48.177 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.807 33.860 48.519 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.299 33.745 49.431 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.314 32.280 47.844 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.299 32.833 46.527 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.311 31.803 47.988 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.945 30.838 49.637 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.860 29.117 49.246 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.503 29.562 46.703 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.488 28.400 47.598 1.00 0.00 H new ATOM 1404 N PRO A 94 -12.665 36.857 48.145 1.00 0.00 N ATOM 1405 CA PRO A 94 -13.207 38.229 48.270 1.00 0.00 C ATOM 1406 C PRO A 94 -12.958 38.780 49.678 1.00 0.00 C ATOM 1407 O PRO A 94 -12.843 38.025 50.624 1.00 0.00 O ATOM 1408 CB PRO A 94 -14.698 38.057 48.012 1.00 0.00 C ATOM 1409 CG PRO A 94 -14.991 36.637 48.366 1.00 0.00 C ATOM 1410 CD PRO A 94 -13.738 35.850 48.092 1.00 0.00 C ATOM 0 HA PRO A 94 -12.740 38.933 47.581 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -15.286 38.745 48.620 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.944 38.263 46.970 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.279 36.552 49.414 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -15.823 36.256 47.775 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.588 35.067 48.836 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.779 35.361 47.119 1.00 0.00 H new ATOM 1418 N PRO A 95 -12.874 40.088 49.778 1.00 0.00 N ATOM 1419 CA PRO A 95 -12.633 40.722 51.094 1.00 0.00 C ATOM 1420 C PRO A 95 -13.899 40.676 51.964 1.00 0.00 C ATOM 1421 O PRO A 95 -14.997 40.604 51.448 1.00 0.00 O ATOM 1422 CB PRO A 95 -12.279 42.161 50.741 1.00 0.00 C ATOM 1423 CG PRO A 95 -12.924 42.409 49.416 1.00 0.00 C ATOM 1424 CD PRO A 95 -12.996 41.086 48.701 1.00 0.00 C ATOM 0 HA PRO A 95 -11.854 40.219 51.667 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.650 42.854 51.496 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.199 42.299 50.685 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.921 42.831 49.546 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.347 43.129 48.836 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.936 40.976 48.160 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.194 40.984 47.970 1.00 0.00 H new ATOM 1432 N PRO A 96 -13.705 40.723 53.264 1.00 0.00 N ATOM 1433 CA PRO A 96 -14.856 40.692 54.199 1.00 0.00 C ATOM 1434 C PRO A 96 -15.595 42.033 54.168 1.00 0.00 C ATOM 1435 O PRO A 96 -15.006 43.068 53.920 1.00 0.00 O ATOM 1436 CB PRO A 96 -14.207 40.455 55.559 1.00 0.00 C ATOM 1437 CG PRO A 96 -12.817 40.986 55.421 1.00 0.00 C ATOM 1438 CD PRO A 96 -12.423 40.813 53.980 1.00 0.00 C ATOM 0 HA PRO A 96 -15.595 39.930 53.951 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.750 40.971 56.351 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.201 39.395 55.815 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.775 42.036 55.709 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.132 40.448 56.076 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.827 41.655 53.626 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.823 39.915 53.836 1.00 0.00 H new ATOM 1446 N TYR A 97 -16.879 42.021 54.424 1.00 0.00 N ATOM 1447 CA TYR A 97 -17.663 43.296 54.416 1.00 0.00 C ATOM 1448 C TYR A 97 -17.141 44.246 55.495 1.00 0.00 C ATOM 1449 O TYR A 97 -16.991 45.432 55.268 1.00 0.00 O ATOM 1450 CB TYR A 97 -19.106 42.890 54.714 1.00 0.00 C ATOM 1451 CG TYR A 97 -19.670 42.135 53.536 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -20.315 42.830 52.506 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -19.547 40.743 53.472 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -20.839 42.132 51.412 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -20.071 40.044 52.378 1.00 0.00 C ATOM 1456 CZ TYR A 97 -20.717 40.738 51.348 1.00 0.00 C ATOM 1457 OH TYR A 97 -21.235 40.050 50.270 1.00 0.00 O ATOM 0 H TYR A 97 -17.420 41.183 54.639 1.00 0.00 H new ATOM 0 HA TYR A 97 -17.580 43.818 53.463 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -19.143 42.269 55.609 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -19.710 43.775 54.915 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -20.408 43.905 52.556 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -19.048 40.208 54.266 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.337 42.668 50.618 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -19.977 38.969 52.329 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.064 39.091 50.381 1.00 0.00 H new ATOM 1467 N SER A 98 -16.864 43.733 56.668 1.00 0.00 N ATOM 1468 CA SER A 98 -16.349 44.603 57.768 1.00 0.00 C ATOM 1469 C SER A 98 -15.536 43.767 58.770 1.00 0.00 C ATOM 1470 O SER A 98 -16.078 43.270 59.740 1.00 0.00 O ATOM 1471 CB SER A 98 -17.595 45.186 58.430 1.00 0.00 C ATOM 1472 OG SER A 98 -18.527 44.143 58.676 1.00 0.00 O ATOM 0 H SER A 98 -16.973 42.748 56.911 1.00 0.00 H new ATOM 0 HA SER A 98 -15.685 45.385 57.401 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.328 45.678 59.365 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.042 45.944 57.787 1.00 0.00 H new ATOM 0 HG SER A 98 -18.095 43.435 59.197 1.00 0.00 H new ATOM 1478 N PRO A 99 -14.254 43.633 58.504 1.00 0.00 N ATOM 1479 CA PRO A 99 -13.374 42.846 59.402 1.00 0.00 C ATOM 1480 C PRO A 99 -13.067 43.639 60.677 1.00 0.00 C ATOM 1481 O PRO A 99 -13.662 44.688 60.856 1.00 0.00 O ATOM 1482 CB PRO A 99 -12.108 42.643 58.576 1.00 0.00 C ATOM 1483 CG PRO A 99 -12.085 43.782 57.606 1.00 0.00 C ATOM 1484 CD PRO A 99 -13.511 44.192 57.361 1.00 0.00 C ATOM 1485 OXT PRO A 99 -12.241 43.182 61.449 1.00 0.00 O ATOM 0 HA PRO A 99 -13.823 41.907 59.725 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.220 42.647 59.209 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.126 41.684 58.057 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.509 44.616 58.007 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.606 43.483 56.674 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.610 45.276 57.314 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.881 43.797 56.415 1.00 0.00 H new TER 1493 PRO A 99 HETATM 1494 ZN ZN A 100 11.430 -2.192 -2.350 1.00 0.00 ZN HETATM 1495 ZN ZN A 101 1.144 1.314 -3.465 1.00 0.00 ZN