USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 845 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 SER OG : rot -100:sc= 2.15 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 152:sc= 1.04 (180deg=-0.522) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.205 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00325 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -57:sc= 1.03 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.464 F(o=-1.1,f=-0.46) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 33:sc= 0.149 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0385 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 158:sc= 0.939 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.532 K(o=0.53,f=-0.0012) USER MOD Single : A 42 SER OG : rot -119:sc= -0.0671 USER MOD Single : A 43 LYS NZ :NH3+ -176:sc= 0.904 (180deg=0.891) USER MOD Single : A 49 HIS : no HD1:sc= -2.06! X(o=-2.1!,f=-1.9) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.6 K(o=0.6,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 82:sc= 0.391 USER MOD Single : A 68 HIS : no HD1:sc= -0.96 X(o=-0.96,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.343 K(o=-0.34,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.126 K(o=0.13,f=-7.2!) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0265) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -131:sc= 1.33 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 1.95 K(o=2,f=-8!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0617 USER MOD Single : A 97 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 102 MET CE :methyl -163:sc= -1.79! (180deg=-2.04!) USER MOD Single : A 107 SER OG : rot -38:sc= 0.00341 USER MOD Single : A 110 SER OG : rot -89:sc= 1.23 USER MOD Single : A 111 SER OG : rot 180:sc= -0.152 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.328 22.821 -39.016 1.00 0.00 N ATOM 2 CA GLY A 1 -13.213 21.788 -37.971 1.00 0.00 C ATOM 3 C GLY A 1 -14.425 21.864 -37.059 1.00 0.00 C ATOM 4 O GLY A 1 -15.202 22.805 -37.192 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.440 22.365 -39.944 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.156 23.420 -38.822 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.469 23.408 -39.020 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.146 20.800 -38.426 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.300 21.936 -37.395 1.00 0.00 H new ATOM 8 N SER A 2 -14.593 20.897 -36.161 1.00 0.00 N ATOM 9 CA SER A 2 -15.568 20.924 -35.080 1.00 0.00 C ATOM 10 C SER A 2 -15.031 20.005 -33.972 1.00 0.00 C ATOM 11 O SER A 2 -13.946 19.438 -34.126 1.00 0.00 O ATOM 12 CB SER A 2 -16.946 20.480 -35.599 1.00 0.00 C ATOM 13 OG SER A 2 -17.951 20.871 -34.687 1.00 0.00 O ATOM 0 H SER A 2 -14.033 20.044 -36.168 1.00 0.00 H new ATOM 0 HA SER A 2 -15.705 21.929 -34.682 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.137 20.924 -36.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.963 19.398 -35.731 1.00 0.00 H new ATOM 0 HG SER A 2 -18.827 20.587 -35.024 1.00 0.00 H new ATOM 19 N SER A 3 -15.780 19.860 -32.884 1.00 0.00 N ATOM 20 CA SER A 3 -15.494 18.997 -31.745 1.00 0.00 C ATOM 21 C SER A 3 -16.828 18.575 -31.114 1.00 0.00 C ATOM 22 O SER A 3 -17.872 19.107 -31.498 1.00 0.00 O ATOM 23 CB SER A 3 -14.577 19.745 -30.763 1.00 0.00 C ATOM 24 OG SER A 3 -14.934 21.107 -30.580 1.00 0.00 O ATOM 0 H SER A 3 -16.654 20.372 -32.768 1.00 0.00 H new ATOM 0 HA SER A 3 -14.966 18.092 -32.047 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.601 19.239 -29.798 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.550 19.692 -31.125 1.00 0.00 H new ATOM 0 HG SER A 3 -14.315 21.525 -29.945 1.00 0.00 H new ATOM 30 N GLY A 4 -16.826 17.658 -30.145 1.00 0.00 N ATOM 31 CA GLY A 4 -18.051 17.205 -29.498 1.00 0.00 C ATOM 32 C GLY A 4 -17.760 16.301 -28.305 1.00 0.00 C ATOM 33 O GLY A 4 -16.596 16.109 -27.940 1.00 0.00 O ATOM 0 H GLY A 4 -15.979 17.213 -29.791 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.628 18.068 -29.168 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.666 16.668 -30.220 1.00 0.00 H new ATOM 37 N SER A 5 -18.828 15.740 -27.731 1.00 0.00 N ATOM 38 CA SER A 5 -18.835 14.908 -26.526 1.00 0.00 C ATOM 39 C SER A 5 -18.371 15.668 -25.267 1.00 0.00 C ATOM 40 O SER A 5 -18.022 16.846 -25.332 1.00 0.00 O ATOM 41 CB SER A 5 -18.024 13.626 -26.762 1.00 0.00 C ATOM 42 OG SER A 5 -18.401 12.955 -27.952 1.00 0.00 O ATOM 0 H SER A 5 -19.764 15.862 -28.118 1.00 0.00 H new ATOM 0 HA SER A 5 -19.869 14.628 -26.327 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.964 13.875 -26.810 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.156 12.955 -25.913 1.00 0.00 H new ATOM 0 HG SER A 5 -17.856 12.147 -28.059 1.00 0.00 H new ATOM 48 N SER A 6 -18.386 14.997 -24.111 1.00 0.00 N ATOM 49 CA SER A 6 -17.823 15.466 -22.850 1.00 0.00 C ATOM 50 C SER A 6 -17.249 14.236 -22.149 1.00 0.00 C ATOM 51 O SER A 6 -17.909 13.191 -22.113 1.00 0.00 O ATOM 52 CB SER A 6 -18.926 16.131 -22.006 1.00 0.00 C ATOM 53 OG SER A 6 -18.458 16.597 -20.745 1.00 0.00 O ATOM 0 H SER A 6 -18.810 14.073 -24.030 1.00 0.00 H new ATOM 0 HA SER A 6 -17.043 16.212 -23.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.347 16.968 -22.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.734 15.417 -21.846 1.00 0.00 H new ATOM 0 HG SER A 6 -18.058 15.853 -20.249 1.00 0.00 H new ATOM 59 N GLY A 7 -16.075 14.356 -21.530 1.00 0.00 N ATOM 60 CA GLY A 7 -15.648 13.423 -20.521 1.00 0.00 C ATOM 61 C GLY A 7 -16.467 13.710 -19.270 1.00 0.00 C ATOM 62 O GLY A 7 -17.098 14.767 -19.140 1.00 0.00 O ATOM 0 H GLY A 7 -15.406 15.102 -21.721 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.802 12.397 -20.855 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.583 13.536 -20.318 1.00 0.00 H new ATOM 66 N GLU A 8 -16.465 12.760 -18.358 1.00 0.00 N ATOM 67 CA GLU A 8 -17.083 12.905 -17.044 1.00 0.00 C ATOM 68 C GLU A 8 -16.132 13.647 -16.099 1.00 0.00 C ATOM 69 O GLU A 8 -14.982 13.927 -16.454 1.00 0.00 O ATOM 70 CB GLU A 8 -17.489 11.536 -16.477 1.00 0.00 C ATOM 71 CG GLU A 8 -18.607 10.875 -17.298 1.00 0.00 C ATOM 72 CD GLU A 8 -18.062 9.933 -18.370 1.00 0.00 C ATOM 73 OE1 GLU A 8 -17.691 10.403 -19.471 1.00 0.00 O ATOM 74 OE2 GLU A 8 -18.048 8.706 -18.116 1.00 0.00 O ATOM 0 H GLU A 8 -16.029 11.850 -18.505 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.993 13.496 -17.144 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.619 10.880 -16.458 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.821 11.656 -15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.265 10.319 -16.630 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -19.213 11.648 -17.771 1.00 0.00 H new ATOM 81 N HIS A 9 -16.615 13.986 -14.899 1.00 0.00 N ATOM 82 CA HIS A 9 -15.805 14.667 -13.896 1.00 0.00 C ATOM 83 C HIS A 9 -14.716 13.735 -13.328 1.00 0.00 C ATOM 84 O HIS A 9 -14.674 12.543 -13.648 1.00 0.00 O ATOM 85 CB HIS A 9 -16.727 15.286 -12.824 1.00 0.00 C ATOM 86 CG HIS A 9 -17.004 14.464 -11.582 1.00 0.00 C ATOM 87 ND1 HIS A 9 -17.052 13.098 -11.473 1.00 0.00 N flip ATOM 88 CD2 HIS A 9 -17.265 14.984 -10.333 1.00 0.00 C flip ATOM 89 CE1 HIS A 9 -17.285 12.788 -10.131 1.00 0.00 C flip ATOM 90 NE2 HIS A 9 -17.439 13.956 -9.485 1.00 0.00 N flip ATOM 0 H HIS A 9 -17.572 13.796 -14.602 1.00 0.00 H new ATOM 0 HA HIS A 9 -15.257 15.489 -14.356 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.289 16.233 -12.510 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -17.683 15.517 -13.295 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -17.320 16.033 -10.080 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.332 11.800 -9.697 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.657 14.049 -8.493 1.00 0.00 H new ATOM 98 N ALA A 10 -13.897 14.247 -12.408 1.00 0.00 N ATOM 99 CA ALA A 10 -12.966 13.476 -11.594 1.00 0.00 C ATOM 100 C ALA A 10 -13.200 13.854 -10.135 1.00 0.00 C ATOM 101 O ALA A 10 -12.866 14.973 -9.742 1.00 0.00 O ATOM 102 CB ALA A 10 -11.537 13.788 -12.037 1.00 0.00 C ATOM 0 H ALA A 10 -13.865 15.246 -12.205 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.122 12.404 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.835 13.214 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.415 13.520 -13.086 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.341 14.853 -11.909 1.00 0.00 H new ATOM 108 N LYS A 11 -13.845 12.990 -9.345 1.00 0.00 N ATOM 109 CA LYS A 11 -14.101 13.287 -7.934 1.00 0.00 C ATOM 110 C LYS A 11 -12.763 13.420 -7.215 1.00 0.00 C ATOM 111 O LYS A 11 -11.964 12.482 -7.240 1.00 0.00 O ATOM 112 CB LYS A 11 -14.974 12.206 -7.291 1.00 0.00 C ATOM 113 CG LYS A 11 -15.323 12.527 -5.825 1.00 0.00 C ATOM 114 CD LYS A 11 -16.216 11.448 -5.196 1.00 0.00 C ATOM 115 CE LYS A 11 -17.630 11.491 -5.782 1.00 0.00 C ATOM 116 NZ LYS A 11 -18.417 10.300 -5.411 1.00 0.00 N ATOM 0 H LYS A 11 -14.197 12.085 -9.657 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.651 14.224 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.894 12.097 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.455 11.249 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.404 12.620 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.830 13.491 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.778 10.465 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.262 11.593 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.141 12.387 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.571 11.563 -6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.367 10.368 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.943 9.446 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.496 10.245 -4.375 1.00 0.00 H new ATOM 130 N GLN A 12 -12.515 14.575 -6.609 1.00 0.00 N ATOM 131 CA GLN A 12 -11.252 14.882 -5.960 1.00 0.00 C ATOM 132 C GLN A 12 -10.975 13.903 -4.796 1.00 0.00 C ATOM 133 O GLN A 12 -11.913 13.386 -4.173 1.00 0.00 O ATOM 134 CB GLN A 12 -11.280 16.372 -5.562 1.00 0.00 C ATOM 135 CG GLN A 12 -9.888 16.952 -5.288 1.00 0.00 C ATOM 136 CD GLN A 12 -9.859 18.483 -5.368 1.00 0.00 C ATOM 137 OE1 GLN A 12 -9.946 19.193 -4.367 1.00 0.00 O ATOM 138 NE2 GLN A 12 -9.728 19.048 -6.559 1.00 0.00 N ATOM 0 H GLN A 12 -13.196 15.332 -6.555 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.407 14.737 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.754 16.945 -6.359 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.898 16.492 -4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.556 16.638 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.180 16.541 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.655 18.467 -7.394 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.700 20.064 -6.641 1.00 0.00 H new ATOM 147 N ALA A 13 -9.676 13.666 -4.550 1.00 0.00 N ATOM 148 CA ALA A 13 -8.977 12.767 -3.612 1.00 0.00 C ATOM 149 C ALA A 13 -8.060 11.825 -4.407 1.00 0.00 C ATOM 150 O ALA A 13 -8.313 11.542 -5.582 1.00 0.00 O ATOM 151 CB ALA A 13 -9.907 11.937 -2.716 1.00 0.00 C ATOM 0 H ALA A 13 -8.983 14.183 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.408 13.409 -2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.310 11.305 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.524 12.605 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.548 11.311 -3.337 1.00 0.00 H new ATOM 157 N SER A 14 -7.034 11.262 -3.767 1.00 0.00 N ATOM 158 CA SER A 14 -6.020 10.426 -4.397 1.00 0.00 C ATOM 159 C SER A 14 -6.007 9.034 -3.754 1.00 0.00 C ATOM 160 O SER A 14 -5.377 8.783 -2.726 1.00 0.00 O ATOM 161 CB SER A 14 -4.662 11.152 -4.433 1.00 0.00 C ATOM 162 OG SER A 14 -4.130 11.436 -3.154 1.00 0.00 O ATOM 0 H SER A 14 -6.884 11.381 -2.765 1.00 0.00 H new ATOM 0 HA SER A 14 -6.266 10.252 -5.445 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.948 10.540 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.775 12.086 -4.984 1.00 0.00 H new ATOM 0 HG SER A 14 -4.387 10.727 -2.528 1.00 0.00 H new ATOM 168 N SER A 15 -6.739 8.107 -4.367 1.00 0.00 N ATOM 169 CA SER A 15 -6.751 6.686 -4.029 1.00 0.00 C ATOM 170 C SER A 15 -6.556 5.818 -5.291 1.00 0.00 C ATOM 171 O SER A 15 -6.782 4.608 -5.252 1.00 0.00 O ATOM 172 CB SER A 15 -8.038 6.376 -3.243 1.00 0.00 C ATOM 173 OG SER A 15 -7.859 6.632 -1.862 1.00 0.00 O ATOM 0 H SER A 15 -7.363 8.333 -5.141 1.00 0.00 H new ATOM 0 HA SER A 15 -5.909 6.435 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.858 6.983 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.317 5.333 -3.391 1.00 0.00 H new ATOM 0 HG SER A 15 -8.689 6.430 -1.382 1.00 0.00 H new ATOM 179 N TYR A 16 -6.101 6.415 -6.403 1.00 0.00 N ATOM 180 CA TYR A 16 -5.725 5.692 -7.617 1.00 0.00 C ATOM 181 C TYR A 16 -4.478 4.835 -7.386 1.00 0.00 C ATOM 182 O TYR A 16 -4.509 3.646 -7.683 1.00 0.00 O ATOM 183 CB TYR A 16 -5.526 6.662 -8.797 1.00 0.00 C ATOM 184 CG TYR A 16 -4.796 7.960 -8.484 1.00 0.00 C ATOM 185 CD1 TYR A 16 -3.389 8.032 -8.563 1.00 0.00 C ATOM 186 CD2 TYR A 16 -5.539 9.101 -8.111 1.00 0.00 C ATOM 187 CE1 TYR A 16 -2.733 9.229 -8.234 1.00 0.00 C ATOM 188 CE2 TYR A 16 -4.884 10.317 -7.849 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.475 10.384 -7.903 1.00 0.00 C ATOM 190 OH TYR A 16 -2.821 11.550 -7.662 1.00 0.00 O ATOM 0 H TYR A 16 -5.984 7.425 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.544 5.019 -7.873 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.976 6.140 -9.580 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.506 6.910 -9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.819 7.170 -8.875 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.614 9.040 -8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.654 9.267 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.458 11.199 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.471 12.252 -7.449 1.00 0.00 H new ATOM 200 N ILE A 17 -3.415 5.430 -6.834 1.00 0.00 N ATOM 201 CA ILE A 17 -2.051 4.903 -6.736 1.00 0.00 C ATOM 202 C ILE A 17 -1.489 4.494 -8.112 1.00 0.00 C ATOM 203 O ILE A 17 -1.849 3.447 -8.655 1.00 0.00 O ATOM 204 CB ILE A 17 -1.905 3.800 -5.664 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.505 4.225 -4.309 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.425 3.408 -5.486 1.00 0.00 C ATOM 207 CD1 ILE A 17 -1.973 5.552 -3.755 1.00 0.00 C ATOM 0 H ILE A 17 -3.491 6.357 -6.415 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.426 5.724 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.466 2.935 -6.018 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.587 4.300 -4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.310 3.439 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.343 2.630 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.031 3.035 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.148 4.281 -5.174 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.453 5.766 -2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.895 5.480 -3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.192 6.354 -4.459 1.00 0.00 H new ATOM 219 N PRO A 18 -0.595 5.312 -8.691 1.00 0.00 N ATOM 220 CA PRO A 18 0.091 4.986 -9.933 1.00 0.00 C ATOM 221 C PRO A 18 1.097 3.847 -9.719 1.00 0.00 C ATOM 222 O PRO A 18 1.275 3.363 -8.599 1.00 0.00 O ATOM 223 CB PRO A 18 0.748 6.300 -10.366 1.00 0.00 C ATOM 224 CG PRO A 18 0.974 7.069 -9.064 1.00 0.00 C ATOM 225 CD PRO A 18 -0.027 6.503 -8.082 1.00 0.00 C ATOM 0 HA PRO A 18 -0.579 4.615 -10.709 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.688 6.120 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.107 6.857 -11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.994 6.939 -8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.821 8.139 -9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.457 6.259 -7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.806 7.233 -7.862 1.00 0.00 H new ATOM 233 N LEU A 19 1.786 3.429 -10.787 1.00 0.00 N ATOM 234 CA LEU A 19 2.828 2.401 -10.705 1.00 0.00 C ATOM 235 C LEU A 19 4.103 2.862 -11.388 1.00 0.00 C ATOM 236 O LEU A 19 5.195 2.650 -10.856 1.00 0.00 O ATOM 237 CB LEU A 19 2.336 1.058 -11.285 1.00 0.00 C ATOM 238 CG LEU A 19 1.420 0.273 -10.324 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.834 -0.974 -10.998 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.185 -0.205 -9.089 1.00 0.00 C ATOM 0 H LEU A 19 1.637 3.792 -11.728 1.00 0.00 H new ATOM 0 HA LEU A 19 3.055 2.240 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.798 1.247 -12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.199 0.442 -11.537 1.00 0.00 H new ATOM 0 HG LEU A 19 0.625 0.962 -10.039 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.194 -1.503 -10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.247 -0.676 -11.867 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.644 -1.631 -11.315 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.510 -0.754 -8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.002 -0.857 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.589 0.655 -8.556 1.00 0.00 H new ATOM 252 N ASP A 20 4.009 3.543 -12.528 1.00 0.00 N ATOM 253 CA ASP A 20 5.206 3.977 -13.262 1.00 0.00 C ATOM 254 C ASP A 20 5.875 5.185 -12.588 1.00 0.00 C ATOM 255 O ASP A 20 7.054 5.449 -12.806 1.00 0.00 O ATOM 256 CB ASP A 20 4.854 4.249 -14.732 1.00 0.00 C ATOM 257 CG ASP A 20 5.825 3.563 -15.692 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.088 2.350 -15.520 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.192 4.170 -16.725 1.00 0.00 O ATOM 0 H ASP A 20 3.126 3.807 -12.965 1.00 0.00 H new ATOM 0 HA ASP A 20 5.940 3.171 -13.239 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.841 3.901 -14.932 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.864 5.324 -14.914 1.00 0.00 H new ATOM 264 N ARG A 21 5.158 5.873 -11.691 1.00 0.00 N ATOM 265 CA ARG A 21 5.695 6.872 -10.767 1.00 0.00 C ATOM 266 C ARG A 21 6.547 6.261 -9.643 1.00 0.00 C ATOM 267 O ARG A 21 7.182 7.023 -8.919 1.00 0.00 O ATOM 268 CB ARG A 21 4.519 7.636 -10.118 1.00 0.00 C ATOM 269 CG ARG A 21 3.959 8.852 -10.871 1.00 0.00 C ATOM 270 CD ARG A 21 4.712 10.156 -10.550 1.00 0.00 C ATOM 271 NE ARG A 21 5.709 10.484 -11.571 1.00 0.00 N ATOM 272 CZ ARG A 21 7.012 10.208 -11.599 1.00 0.00 C ATOM 273 NH1 ARG A 21 7.625 9.633 -10.574 1.00 0.00 N ATOM 274 NH2 ARG A 21 7.687 10.487 -12.705 1.00 0.00 N ATOM 0 H ARG A 21 4.152 5.742 -11.587 1.00 0.00 H new ATOM 0 HA ARG A 21 6.339 7.530 -11.350 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.703 6.930 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.839 7.970 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.010 8.664 -11.943 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.906 8.975 -10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.998 10.975 -10.466 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.204 10.061 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 21 5.355 10.998 -12.377 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.098 9.390 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.624 9.434 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.208 10.902 -13.504 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.686 10.287 -12.757 1.00 0.00 H new ATOM 288 N LEU A 22 6.504 4.945 -9.413 1.00 0.00 N ATOM 289 CA LEU A 22 7.007 4.310 -8.190 1.00 0.00 C ATOM 290 C LEU A 22 8.265 3.515 -8.536 1.00 0.00 C ATOM 291 O LEU A 22 8.772 3.567 -9.659 1.00 0.00 O ATOM 292 CB LEU A 22 5.950 3.374 -7.549 1.00 0.00 C ATOM 293 CG LEU A 22 4.651 3.937 -6.953 1.00 0.00 C ATOM 294 CD1 LEU A 22 4.890 4.659 -5.632 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.925 4.892 -7.872 1.00 0.00 C ATOM 0 H LEU A 22 6.113 4.281 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 22 7.234 5.088 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.664 2.648 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.452 2.822 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 22 4.029 3.056 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.943 5.040 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.320 3.965 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.578 5.490 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.018 5.248 -7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.571 5.740 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.661 4.378 -8.796 1.00 0.00 H new ATOM 307 N SER A 23 8.756 2.752 -7.561 1.00 0.00 N ATOM 308 CA SER A 23 9.864 1.820 -7.688 1.00 0.00 C ATOM 309 C SER A 23 9.452 0.486 -7.060 1.00 0.00 C ATOM 310 O SER A 23 9.672 0.262 -5.872 1.00 0.00 O ATOM 311 CB SER A 23 11.136 2.452 -7.083 1.00 0.00 C ATOM 312 OG SER A 23 12.246 2.174 -7.919 1.00 0.00 O ATOM 0 H SER A 23 8.370 2.771 -6.617 1.00 0.00 H new ATOM 0 HA SER A 23 10.107 1.610 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.006 3.529 -6.980 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.312 2.055 -6.083 1.00 0.00 H new ATOM 0 HG SER A 23 13.053 2.577 -7.536 1.00 0.00 H new ATOM 318 N ILE A 24 8.779 -0.377 -7.827 1.00 0.00 N ATOM 319 CA ILE A 24 8.340 -1.688 -7.351 1.00 0.00 C ATOM 320 C ILE A 24 9.572 -2.607 -7.359 1.00 0.00 C ATOM 321 O ILE A 24 10.533 -2.379 -8.111 1.00 0.00 O ATOM 322 CB ILE A 24 7.140 -2.220 -8.191 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.859 -1.360 -8.062 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.739 -3.648 -7.785 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.887 -0.029 -8.814 1.00 0.00 C ATOM 0 H ILE A 24 8.524 -0.184 -8.796 1.00 0.00 H new ATOM 0 HA ILE A 24 7.952 -1.638 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 24 7.508 -2.183 -9.216 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.012 -1.944 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.682 -1.158 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.899 -3.978 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.584 -4.320 -7.936 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.450 -3.660 -6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.944 0.496 -8.659 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.709 0.582 -8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.028 -0.216 -9.879 1.00 0.00 H new ATOM 337 N SER A 25 9.540 -3.678 -6.568 1.00 0.00 N ATOM 338 CA SER A 25 10.459 -4.795 -6.688 1.00 0.00 C ATOM 339 C SER A 25 9.782 -6.051 -6.136 1.00 0.00 C ATOM 340 O SER A 25 9.027 -5.981 -5.165 1.00 0.00 O ATOM 341 CB SER A 25 11.735 -4.445 -5.914 1.00 0.00 C ATOM 342 OG SER A 25 12.631 -5.533 -5.873 1.00 0.00 O ATOM 0 H SER A 25 8.861 -3.790 -5.815 1.00 0.00 H new ATOM 0 HA SER A 25 10.726 -4.989 -7.727 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.222 -3.589 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.475 -4.148 -4.898 1.00 0.00 H new ATOM 0 HG SER A 25 13.435 -5.276 -5.374 1.00 0.00 H new ATOM 348 N TYR A 26 10.104 -7.213 -6.707 1.00 0.00 N ATOM 349 CA TYR A 26 9.729 -8.503 -6.142 1.00 0.00 C ATOM 350 C TYR A 26 10.981 -9.258 -5.688 1.00 0.00 C ATOM 351 O TYR A 26 11.708 -9.810 -6.508 1.00 0.00 O ATOM 352 CB TYR A 26 8.879 -9.286 -7.153 1.00 0.00 C ATOM 353 CG TYR A 26 7.865 -8.421 -7.877 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.756 -7.848 -7.223 1.00 0.00 C ATOM 355 CD2 TYR A 26 8.141 -8.057 -9.202 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.911 -6.972 -7.916 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.295 -7.190 -9.903 1.00 0.00 C ATOM 358 CZ TYR A 26 6.140 -6.676 -9.274 1.00 0.00 C ATOM 359 OH TYR A 26 5.277 -5.858 -9.931 1.00 0.00 O ATOM 0 H TYR A 26 10.633 -7.282 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 26 9.112 -8.363 -5.255 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.537 -9.754 -7.885 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.357 -10.090 -6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.558 -8.084 -6.188 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.020 -8.452 -9.690 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.075 -6.519 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.525 -6.915 -10.922 1.00 0.00 H new ATOM 0 HH TYR A 26 5.571 -5.750 -10.859 1.00 0.00 H new ATOM 369 N CYS A 27 11.248 -9.259 -4.375 1.00 0.00 N ATOM 370 CA CYS A 27 12.446 -9.865 -3.786 1.00 0.00 C ATOM 371 C CYS A 27 12.430 -11.391 -3.963 1.00 0.00 C ATOM 372 O CYS A 27 13.305 -11.926 -4.641 1.00 0.00 O ATOM 373 CB CYS A 27 12.555 -9.457 -2.301 1.00 0.00 C ATOM 374 SG CYS A 27 14.277 -9.309 -1.756 1.00 0.00 S ATOM 0 H CYS A 27 10.629 -8.833 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 27 13.330 -9.496 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.045 -8.506 -2.149 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.043 -10.196 -1.685 1.00 0.00 H new ATOM 0 HG CYS A 27 14.307 -8.962 -0.503 1.00 0.00 H new ATOM 380 N ARG A 28 11.441 -12.052 -3.327 1.00 0.00 N ATOM 381 CA ARG A 28 11.075 -13.481 -3.262 1.00 0.00 C ATOM 382 C ARG A 28 10.577 -13.944 -1.890 1.00 0.00 C ATOM 383 O ARG A 28 9.937 -14.989 -1.865 1.00 0.00 O ATOM 384 CB ARG A 28 12.153 -14.454 -3.762 1.00 0.00 C ATOM 385 CG ARG A 28 13.438 -14.514 -2.926 1.00 0.00 C ATOM 386 CD ARG A 28 13.315 -15.195 -1.555 1.00 0.00 C ATOM 387 NE ARG A 28 14.519 -16.003 -1.304 1.00 0.00 N ATOM 388 CZ ARG A 28 14.673 -17.220 -1.830 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.602 -17.975 -2.033 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.875 -17.648 -2.195 1.00 0.00 N ATOM 0 H ARG A 28 10.784 -11.512 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 28 10.242 -13.524 -3.964 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.722 -15.454 -3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.419 -14.179 -4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.200 -15.038 -3.503 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.797 -13.496 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.197 -14.445 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.427 -15.827 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 28 15.257 -15.622 -0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.676 -17.624 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.704 -18.907 -2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.689 -17.046 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.985 -18.579 -2.596 1.00 0.00 H new ATOM 404 N SER A 29 10.904 -13.195 -0.827 1.00 0.00 N ATOM 405 CA SER A 29 10.638 -13.421 0.603 1.00 0.00 C ATOM 406 C SER A 29 11.158 -14.744 1.189 1.00 0.00 C ATOM 407 O SER A 29 11.232 -15.785 0.535 1.00 0.00 O ATOM 408 CB SER A 29 9.170 -13.161 0.955 1.00 0.00 C ATOM 409 OG SER A 29 8.291 -13.685 -0.010 1.00 0.00 O ATOM 0 H SER A 29 11.416 -12.323 -0.961 1.00 0.00 H new ATOM 0 HA SER A 29 11.250 -12.672 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.947 -13.604 1.926 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.005 -12.088 1.049 1.00 0.00 H new ATOM 0 HG SER A 29 7.409 -13.826 0.393 1.00 0.00 H new ATOM 415 N SER A 30 11.547 -14.689 2.464 1.00 0.00 N ATOM 416 CA SER A 30 12.157 -15.802 3.180 1.00 0.00 C ATOM 417 C SER A 30 11.684 -15.906 4.630 1.00 0.00 C ATOM 418 O SER A 30 11.597 -17.035 5.112 1.00 0.00 O ATOM 419 CB SER A 30 13.683 -15.661 3.133 1.00 0.00 C ATOM 420 OG SER A 30 14.158 -15.574 1.802 1.00 0.00 O ATOM 0 H SER A 30 11.443 -13.851 3.036 1.00 0.00 H new ATOM 0 HA SER A 30 11.845 -16.721 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.984 -14.771 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.143 -16.516 3.629 1.00 0.00 H new ATOM 0 HG SER A 30 15.134 -15.483 1.808 1.00 0.00 H new ATOM 426 N GLY A 31 11.393 -14.764 5.282 1.00 0.00 N ATOM 427 CA GLY A 31 11.051 -14.568 6.696 1.00 0.00 C ATOM 428 C GLY A 31 11.270 -15.796 7.583 1.00 0.00 C ATOM 429 O GLY A 31 10.295 -16.448 7.965 1.00 0.00 O ATOM 0 H GLY A 31 11.393 -13.875 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.645 -13.743 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.005 -14.269 6.765 1.00 0.00 H new ATOM 433 N PRO A 32 12.534 -16.122 7.903 1.00 0.00 N ATOM 434 CA PRO A 32 12.889 -17.376 8.542 1.00 0.00 C ATOM 435 C PRO A 32 12.272 -17.449 9.936 1.00 0.00 C ATOM 436 O PRO A 32 12.423 -16.528 10.742 1.00 0.00 O ATOM 437 CB PRO A 32 14.419 -17.414 8.569 1.00 0.00 C ATOM 438 CG PRO A 32 14.846 -15.955 8.452 1.00 0.00 C ATOM 439 CD PRO A 32 13.713 -15.308 7.661 1.00 0.00 C ATOM 0 HA PRO A 32 12.505 -18.243 8.004 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.788 -17.861 9.492 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.815 -18.009 7.746 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.965 -15.493 9.432 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.801 -15.858 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.550 -14.280 7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.951 -15.273 6.598 1.00 0.00 H new ATOM 447 N GLY A 33 11.558 -18.535 10.212 1.00 0.00 N ATOM 448 CA GLY A 33 10.923 -18.802 11.488 1.00 0.00 C ATOM 449 C GLY A 33 9.518 -19.324 11.246 1.00 0.00 C ATOM 450 O GLY A 33 9.206 -20.465 11.604 1.00 0.00 O ATOM 0 H GLY A 33 11.403 -19.275 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.504 -19.533 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.888 -17.893 12.088 1.00 0.00 H new ATOM 454 N GLY A 34 8.667 -18.497 10.639 1.00 0.00 N ATOM 455 CA GLY A 34 7.259 -18.793 10.439 1.00 0.00 C ATOM 456 C GLY A 34 6.437 -17.525 10.590 1.00 0.00 C ATOM 457 O GLY A 34 6.301 -17.028 11.711 1.00 0.00 O ATOM 0 H GLY A 34 8.947 -17.589 10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.106 -19.220 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.929 -19.539 11.162 1.00 0.00 H new ATOM 461 N GLN A 35 5.915 -17.001 9.481 1.00 0.00 N ATOM 462 CA GLN A 35 4.779 -16.092 9.457 1.00 0.00 C ATOM 463 C GLN A 35 3.888 -16.565 8.302 1.00 0.00 C ATOM 464 O GLN A 35 3.443 -17.711 8.303 1.00 0.00 O ATOM 465 CB GLN A 35 5.213 -14.608 9.371 1.00 0.00 C ATOM 466 CG GLN A 35 6.085 -14.168 10.562 1.00 0.00 C ATOM 467 CD GLN A 35 6.313 -12.663 10.563 1.00 0.00 C ATOM 468 OE1 GLN A 35 7.153 -12.153 9.822 1.00 0.00 O ATOM 469 NE2 GLN A 35 5.563 -11.920 11.363 1.00 0.00 N ATOM 0 H GLN A 35 6.284 -17.205 8.552 1.00 0.00 H new ATOM 0 HA GLN A 35 4.214 -16.122 10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.765 -14.449 8.445 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.325 -13.977 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 35 5.605 -14.465 11.495 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.045 -14.682 10.520 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.872 -12.362 11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.676 -10.906 11.372 1.00 0.00 H new ATOM 478 N ASN A 36 3.663 -15.721 7.297 1.00 0.00 N ATOM 479 CA ASN A 36 2.784 -16.000 6.160 1.00 0.00 C ATOM 480 C ASN A 36 3.560 -16.628 4.999 1.00 0.00 C ATOM 481 O ASN A 36 2.975 -17.145 4.050 1.00 0.00 O ATOM 482 CB ASN A 36 2.128 -14.690 5.686 1.00 0.00 C ATOM 483 CG ASN A 36 1.719 -13.811 6.859 1.00 0.00 C ATOM 484 OD1 ASN A 36 0.823 -14.141 7.623 1.00 0.00 O ATOM 485 ND2 ASN A 36 2.454 -12.740 7.115 1.00 0.00 N ATOM 0 H ASN A 36 4.098 -14.800 7.248 1.00 0.00 H new ATOM 0 HA ASN A 36 2.021 -16.707 6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.823 -14.145 5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.252 -14.920 5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.274 -12.186 7.952 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.200 -12.469 6.475 1.00 0.00 H new ATOM 492 N VAL A 37 4.891 -16.555 5.069 1.00 0.00 N ATOM 493 CA VAL A 37 5.873 -16.819 4.026 1.00 0.00 C ATOM 494 C VAL A 37 6.129 -18.328 3.932 1.00 0.00 C ATOM 495 O VAL A 37 7.259 -18.821 4.045 1.00 0.00 O ATOM 496 CB VAL A 37 7.074 -15.873 4.280 1.00 0.00 C ATOM 497 CG1 VAL A 37 7.629 -15.925 5.713 1.00 0.00 C ATOM 498 CG2 VAL A 37 8.236 -15.992 3.287 1.00 0.00 C ATOM 0 H VAL A 37 5.346 -16.284 5.941 1.00 0.00 H new ATOM 0 HA VAL A 37 5.542 -16.581 3.015 1.00 0.00 H new ATOM 0 HB VAL A 37 6.610 -14.900 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.467 -15.233 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.846 -15.642 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.968 -16.937 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.021 -15.286 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.635 -17.006 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.879 -15.769 2.281 1.00 0.00 H new ATOM 508 N ASN A 38 5.047 -19.086 3.751 1.00 0.00 N ATOM 509 CA ASN A 38 5.067 -20.533 3.630 1.00 0.00 C ATOM 510 C ASN A 38 5.497 -20.885 2.209 1.00 0.00 C ATOM 511 O ASN A 38 4.679 -20.897 1.288 1.00 0.00 O ATOM 512 CB ASN A 38 3.706 -21.159 3.976 1.00 0.00 C ATOM 513 CG ASN A 38 3.246 -20.826 5.387 1.00 0.00 C ATOM 514 OD1 ASN A 38 3.860 -21.267 6.353 1.00 0.00 O ATOM 515 ND2 ASN A 38 2.198 -20.034 5.553 1.00 0.00 N ATOM 0 H ASN A 38 4.108 -18.693 3.683 1.00 0.00 H new ATOM 0 HA ASN A 38 5.777 -20.946 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.959 -20.810 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.770 -22.241 3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.892 -19.783 6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.697 -19.674 4.741 1.00 0.00 H new ATOM 522 N LYS A 39 6.792 -21.165 2.048 1.00 0.00 N ATOM 523 CA LYS A 39 7.430 -21.804 0.902 1.00 0.00 C ATOM 524 C LYS A 39 6.943 -21.261 -0.442 1.00 0.00 C ATOM 525 O LYS A 39 6.617 -22.018 -1.359 1.00 0.00 O ATOM 526 CB LYS A 39 7.244 -23.314 1.032 1.00 0.00 C ATOM 527 CG LYS A 39 7.713 -23.866 2.388 1.00 0.00 C ATOM 528 CD LYS A 39 7.864 -25.392 2.418 1.00 0.00 C ATOM 529 CE LYS A 39 6.522 -26.133 2.403 1.00 0.00 C ATOM 530 NZ LYS A 39 6.672 -27.600 2.528 1.00 0.00 N ATOM 0 H LYS A 39 7.471 -20.932 2.772 1.00 0.00 H new ATOM 0 HA LYS A 39 8.494 -21.567 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.191 -23.557 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.795 -23.812 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.670 -23.411 2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.002 -23.566 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.456 -25.709 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.419 -25.678 3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.901 -25.766 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.997 -25.904 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.733 -28.048 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.241 -27.960 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.147 -27.825 3.425 1.00 0.00 H new ATOM 544 N VAL A 40 6.918 -19.947 -0.566 1.00 0.00 N ATOM 545 CA VAL A 40 6.665 -19.209 -1.791 1.00 0.00 C ATOM 546 C VAL A 40 8.021 -18.942 -2.469 1.00 0.00 C ATOM 547 O VAL A 40 9.033 -19.574 -2.136 1.00 0.00 O ATOM 548 CB VAL A 40 5.791 -17.981 -1.427 1.00 0.00 C ATOM 549 CG1 VAL A 40 6.544 -16.803 -0.785 1.00 0.00 C ATOM 550 CG2 VAL A 40 4.965 -17.477 -2.620 1.00 0.00 C ATOM 0 H VAL A 40 7.083 -19.331 0.230 1.00 0.00 H new ATOM 0 HA VAL A 40 6.087 -19.747 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 40 5.124 -18.372 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.843 -15.997 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.013 -17.133 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.310 -16.443 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.370 -16.616 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.635 -17.186 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.303 -18.271 -2.965 1.00 0.00 H new ATOM 560 N ASN A 41 8.060 -18.060 -3.466 1.00 0.00 N ATOM 561 CA ASN A 41 9.264 -17.349 -3.907 1.00 0.00 C ATOM 562 C ASN A 41 8.893 -16.009 -4.571 1.00 0.00 C ATOM 563 O ASN A 41 9.510 -15.605 -5.559 1.00 0.00 O ATOM 564 CB ASN A 41 10.203 -18.216 -4.775 1.00 0.00 C ATOM 565 CG ASN A 41 9.606 -18.808 -6.043 1.00 0.00 C ATOM 566 OD1 ASN A 41 9.586 -20.028 -6.215 1.00 0.00 O ATOM 567 ND2 ASN A 41 9.153 -17.992 -6.969 1.00 0.00 N ATOM 0 H ASN A 41 7.232 -17.811 -4.007 1.00 0.00 H new ATOM 0 HA ASN A 41 9.849 -17.122 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.064 -17.610 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.576 -19.035 -4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.780 -18.367 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.175 -16.984 -6.815 1.00 0.00 H new ATOM 574 N SER A 42 7.891 -15.306 -4.041 1.00 0.00 N ATOM 575 CA SER A 42 7.356 -14.064 -4.575 1.00 0.00 C ATOM 576 C SER A 42 7.099 -13.139 -3.392 1.00 0.00 C ATOM 577 O SER A 42 6.305 -13.467 -2.514 1.00 0.00 O ATOM 578 CB SER A 42 6.063 -14.338 -5.350 1.00 0.00 C ATOM 579 OG SER A 42 6.356 -14.842 -6.641 1.00 0.00 O ATOM 0 H SER A 42 7.413 -15.604 -3.191 1.00 0.00 H new ATOM 0 HA SER A 42 8.057 -13.601 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.450 -15.055 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.481 -13.420 -5.435 1.00 0.00 H new ATOM 0 HG SER A 42 5.999 -14.232 -7.319 1.00 0.00 H new ATOM 585 N LYS A 43 7.776 -11.989 -3.381 1.00 0.00 N ATOM 586 CA LYS A 43 7.513 -10.882 -2.468 1.00 0.00 C ATOM 587 C LYS A 43 7.019 -9.714 -3.287 1.00 0.00 C ATOM 588 O LYS A 43 7.343 -9.652 -4.468 1.00 0.00 O ATOM 589 CB LYS A 43 8.759 -10.511 -1.653 1.00 0.00 C ATOM 590 CG LYS A 43 8.592 -9.230 -0.809 1.00 0.00 C ATOM 591 CD LYS A 43 9.675 -9.031 0.256 1.00 0.00 C ATOM 592 CE LYS A 43 10.384 -7.707 -0.024 1.00 0.00 C ATOM 593 NZ LYS A 43 11.487 -7.400 0.909 1.00 0.00 N ATOM 0 H LYS A 43 8.543 -11.800 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 43 6.755 -11.175 -1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.010 -11.341 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.601 -10.380 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.591 -8.367 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.618 -9.256 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.231 -9.021 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.387 -9.856 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.778 -7.727 -1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.652 -6.900 0.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.871 -6.458 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.130 -7.414 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.238 -8.112 0.805 1.00 0.00 H new ATOM 607 N ALA A 44 6.307 -8.773 -2.681 1.00 0.00 N ATOM 608 CA ALA A 44 6.162 -7.455 -3.260 1.00 0.00 C ATOM 609 C ALA A 44 6.701 -6.429 -2.280 1.00 0.00 C ATOM 610 O ALA A 44 6.508 -6.531 -1.068 1.00 0.00 O ATOM 611 CB ALA A 44 4.713 -7.194 -3.636 1.00 0.00 C ATOM 0 H ALA A 44 5.824 -8.902 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 44 6.738 -7.382 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.623 -6.198 -4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.386 -7.937 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.088 -7.259 -2.745 1.00 0.00 H new ATOM 617 N GLU A 45 7.403 -5.456 -2.836 1.00 0.00 N ATOM 618 CA GLU A 45 8.024 -4.302 -2.226 1.00 0.00 C ATOM 619 C GLU A 45 7.749 -3.162 -3.202 1.00 0.00 C ATOM 620 O GLU A 45 7.718 -3.370 -4.416 1.00 0.00 O ATOM 621 CB GLU A 45 9.527 -4.616 -2.071 1.00 0.00 C ATOM 622 CG GLU A 45 10.459 -3.524 -1.513 1.00 0.00 C ATOM 623 CD GLU A 45 11.854 -4.137 -1.257 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.022 -4.840 -0.237 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.757 -4.013 -2.136 1.00 0.00 O ATOM 0 H GLU A 45 7.567 -5.461 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 45 7.649 -4.040 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.617 -5.489 -1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.907 -4.905 -3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.535 -2.697 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.051 -3.117 -0.588 1.00 0.00 H new ATOM 632 N VAL A 46 7.515 -1.965 -2.689 1.00 0.00 N ATOM 633 CA VAL A 46 7.493 -0.762 -3.497 1.00 0.00 C ATOM 634 C VAL A 46 8.160 0.323 -2.683 1.00 0.00 C ATOM 635 O VAL A 46 8.094 0.329 -1.448 1.00 0.00 O ATOM 636 CB VAL A 46 6.067 -0.434 -3.994 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.093 -0.104 -2.860 1.00 0.00 C ATOM 638 CG2 VAL A 46 6.066 0.717 -5.013 1.00 0.00 C ATOM 0 H VAL A 46 7.335 -1.803 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 46 8.052 -0.882 -4.425 1.00 0.00 H new ATOM 0 HB VAL A 46 5.720 -1.347 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.110 0.117 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.018 -0.957 -2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.456 0.763 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.044 0.915 -5.337 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.481 1.613 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.672 0.440 -5.875 1.00 0.00 H new ATOM 648 N ARG A 47 8.815 1.239 -3.381 1.00 0.00 N ATOM 649 CA ARG A 47 9.642 2.276 -2.811 1.00 0.00 C ATOM 650 C ARG A 47 9.336 3.538 -3.586 1.00 0.00 C ATOM 651 O ARG A 47 9.210 3.484 -4.809 1.00 0.00 O ATOM 652 CB ARG A 47 11.110 1.859 -2.895 1.00 0.00 C ATOM 653 CG ARG A 47 12.134 2.974 -2.690 1.00 0.00 C ATOM 654 CD ARG A 47 13.486 2.341 -2.317 1.00 0.00 C ATOM 655 NE ARG A 47 13.982 1.488 -3.409 1.00 0.00 N ATOM 656 CZ ARG A 47 14.402 1.936 -4.595 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.621 3.229 -4.791 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.576 1.088 -5.598 1.00 0.00 N ATOM 0 H ARG A 47 8.779 1.276 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 47 9.438 2.448 -1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.291 1.085 -2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.284 1.408 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.233 3.568 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.803 3.650 -1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.213 3.125 -2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.377 1.749 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 47 14.007 0.481 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.469 3.893 -4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.942 3.560 -5.701 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.389 0.094 -5.464 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.897 1.429 -6.504 1.00 0.00 H new ATOM 672 N PHE A 48 9.188 4.658 -2.895 1.00 0.00 N ATOM 673 CA PHE A 48 9.056 5.952 -3.543 1.00 0.00 C ATOM 674 C PHE A 48 9.650 7.030 -2.648 1.00 0.00 C ATOM 675 O PHE A 48 9.460 6.979 -1.429 1.00 0.00 O ATOM 676 CB PHE A 48 7.577 6.204 -3.861 1.00 0.00 C ATOM 677 CG PHE A 48 6.582 6.081 -2.710 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.981 4.843 -2.384 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.224 7.231 -1.987 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.988 4.770 -1.387 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.262 7.151 -0.968 1.00 0.00 C ATOM 682 CZ PHE A 48 4.619 5.932 -0.701 1.00 0.00 C ATOM 0 H PHE A 48 9.156 4.695 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 48 9.606 5.972 -4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.488 7.207 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.276 5.506 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.286 3.946 -2.903 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.690 8.178 -2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.517 3.827 -1.155 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.016 8.029 -0.389 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.834 5.891 0.039 1.00 0.00 H new ATOM 692 N HIS A 49 10.342 8.012 -3.229 1.00 0.00 N ATOM 693 CA HIS A 49 10.660 9.247 -2.539 1.00 0.00 C ATOM 694 C HIS A 49 9.359 10.003 -2.333 1.00 0.00 C ATOM 695 O HIS A 49 8.802 10.595 -3.256 1.00 0.00 O ATOM 696 CB HIS A 49 11.735 10.059 -3.273 1.00 0.00 C ATOM 697 CG HIS A 49 12.306 11.159 -2.420 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.695 12.404 -2.850 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.509 11.102 -1.069 1.00 0.00 C ATOM 700 CE1 HIS A 49 13.063 13.100 -1.765 1.00 0.00 C ATOM 701 NE2 HIS A 49 12.920 12.362 -0.647 1.00 0.00 N ATOM 0 H HIS A 49 10.693 7.967 -4.186 1.00 0.00 H new ATOM 0 HA HIS A 49 11.106 9.039 -1.566 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.538 9.393 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.306 10.490 -4.178 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.374 10.233 -0.441 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.426 14.117 -1.785 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.080 12.666 0.313 1.00 0.00 H new ATOM 709 N LEU A 50 8.873 9.944 -1.095 1.00 0.00 N ATOM 710 CA LEU A 50 7.632 10.531 -0.619 1.00 0.00 C ATOM 711 C LEU A 50 7.600 12.018 -0.983 1.00 0.00 C ATOM 712 O LEU A 50 6.598 12.494 -1.510 1.00 0.00 O ATOM 713 CB LEU A 50 7.566 10.221 0.882 1.00 0.00 C ATOM 714 CG LEU A 50 6.613 11.040 1.764 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.106 12.479 1.939 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.175 10.948 1.259 1.00 0.00 C ATOM 0 H LEU A 50 9.371 9.452 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 50 6.738 10.118 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.296 9.171 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.571 10.335 1.287 1.00 0.00 H new ATOM 0 HG LEU A 50 6.612 10.603 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.407 13.029 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.090 12.472 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.173 12.962 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.524 11.538 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.122 11.333 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.851 9.907 1.271 1.00 0.00 H new ATOM 728 N ALA A 51 8.696 12.746 -0.733 1.00 0.00 N ATOM 729 CA ALA A 51 8.772 14.177 -1.002 1.00 0.00 C ATOM 730 C ALA A 51 8.494 14.464 -2.477 1.00 0.00 C ATOM 731 O ALA A 51 7.743 15.374 -2.831 1.00 0.00 O ATOM 732 CB ALA A 51 10.164 14.677 -0.641 1.00 0.00 C ATOM 0 H ALA A 51 9.551 12.354 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 51 8.021 14.691 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.229 15.747 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.354 14.492 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.907 14.151 -1.241 1.00 0.00 H new ATOM 738 N SER A 52 9.110 13.668 -3.347 1.00 0.00 N ATOM 739 CA SER A 52 9.025 13.814 -4.785 1.00 0.00 C ATOM 740 C SER A 52 7.814 13.062 -5.338 1.00 0.00 C ATOM 741 O SER A 52 7.701 12.973 -6.552 1.00 0.00 O ATOM 742 CB SER A 52 10.361 13.358 -5.396 1.00 0.00 C ATOM 743 OG SER A 52 10.718 14.101 -6.544 1.00 0.00 O ATOM 0 H SER A 52 9.696 12.885 -3.057 1.00 0.00 H new ATOM 0 HA SER A 52 8.866 14.857 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.149 13.452 -4.648 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.294 12.302 -5.658 1.00 0.00 H new ATOM 0 HG SER A 52 11.574 13.774 -6.892 1.00 0.00 H new ATOM 749 N ALA A 53 6.918 12.516 -4.495 1.00 0.00 N ATOM 750 CA ALA A 53 5.807 11.692 -4.955 1.00 0.00 C ATOM 751 C ALA A 53 4.968 12.446 -5.982 1.00 0.00 C ATOM 752 O ALA A 53 4.736 11.921 -7.065 1.00 0.00 O ATOM 753 CB ALA A 53 4.959 11.223 -3.776 1.00 0.00 C ATOM 0 H ALA A 53 6.951 12.638 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 53 6.212 10.806 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.135 10.610 -4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.575 10.635 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.560 12.089 -3.248 1.00 0.00 H new ATOM 759 N ASP A 54 4.546 13.666 -5.642 1.00 0.00 N ATOM 760 CA ASP A 54 3.765 14.606 -6.455 1.00 0.00 C ATOM 761 C ASP A 54 2.280 14.237 -6.507 1.00 0.00 C ATOM 762 O ASP A 54 1.426 15.112 -6.361 1.00 0.00 O ATOM 763 CB ASP A 54 4.338 14.796 -7.870 1.00 0.00 C ATOM 764 CG ASP A 54 3.696 16.020 -8.521 1.00 0.00 C ATOM 765 OD1 ASP A 54 2.624 15.890 -9.154 1.00 0.00 O ATOM 766 OD2 ASP A 54 4.237 17.130 -8.328 1.00 0.00 O ATOM 0 H ASP A 54 4.756 14.053 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 54 3.848 15.567 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.420 14.922 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.147 13.908 -8.473 1.00 0.00 H new ATOM 771 N TRP A 55 1.948 12.948 -6.606 1.00 0.00 N ATOM 772 CA TRP A 55 0.570 12.462 -6.503 1.00 0.00 C ATOM 773 C TRP A 55 0.037 12.508 -5.059 1.00 0.00 C ATOM 774 O TRP A 55 -1.170 12.377 -4.853 1.00 0.00 O ATOM 775 CB TRP A 55 0.458 11.058 -7.117 1.00 0.00 C ATOM 776 CG TRP A 55 1.482 10.051 -6.694 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.711 9.914 -7.228 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.409 9.076 -5.620 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.428 8.960 -6.531 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.677 8.435 -5.499 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.408 8.712 -4.703 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.948 7.517 -4.475 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.663 7.780 -3.687 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.934 7.190 -3.562 1.00 0.00 C ATOM 0 H TRP A 55 2.632 12.207 -6.761 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.067 13.137 -7.075 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.528 10.660 -6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.507 11.157 -8.201 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.082 10.469 -8.077 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.384 8.681 -6.750 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.573 9.157 -4.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.926 7.067 -4.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.122 7.513 -2.995 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.129 6.487 -2.765 1.00 0.00 H new ATOM 795 N ILE A 56 0.901 12.725 -4.063 1.00 0.00 N ATOM 796 CA ILE A 56 0.513 12.928 -2.663 1.00 0.00 C ATOM 797 C ILE A 56 0.465 14.431 -2.377 1.00 0.00 C ATOM 798 O ILE A 56 1.327 15.188 -2.818 1.00 0.00 O ATOM 799 CB ILE A 56 1.500 12.205 -1.712 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.596 10.695 -2.016 1.00 0.00 C ATOM 801 CG2 ILE A 56 1.103 12.380 -0.228 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.754 10.026 -1.269 1.00 0.00 C ATOM 0 H ILE A 56 1.910 12.765 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.474 12.500 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 56 2.470 12.670 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.660 10.210 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.726 10.550 -3.088 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.821 11.858 0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.100 13.440 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.108 11.966 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.781 8.964 -1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.695 10.491 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.612 10.146 -0.195 1.00 0.00 H new ATOM 814 N GLU A 57 -0.538 14.821 -1.597 1.00 0.00 N ATOM 815 CA GLU A 57 -0.813 16.160 -1.095 1.00 0.00 C ATOM 816 C GLU A 57 0.252 16.579 -0.101 1.00 0.00 C ATOM 817 O GLU A 57 0.626 15.778 0.746 1.00 0.00 O ATOM 818 CB GLU A 57 -2.199 16.172 -0.424 1.00 0.00 C ATOM 819 CG GLU A 57 -3.238 15.464 -1.260 1.00 0.00 C ATOM 820 CD GLU A 57 -4.671 15.874 -0.930 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.083 16.976 -1.349 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.419 15.028 -0.394 1.00 0.00 O ATOM 0 H GLU A 57 -1.237 14.152 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.803 16.866 -1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.133 15.694 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.511 17.203 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.044 15.667 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.135 14.388 -1.118 1.00 0.00 H new ATOM 829 N GLU A 58 0.652 17.851 -0.108 1.00 0.00 N ATOM 830 CA GLU A 58 1.456 18.471 0.946 1.00 0.00 C ATOM 831 C GLU A 58 1.152 17.970 2.352 1.00 0.00 C ATOM 832 O GLU A 58 2.084 17.539 3.046 1.00 0.00 O ATOM 833 CB GLU A 58 1.212 19.981 0.994 1.00 0.00 C ATOM 834 CG GLU A 58 2.367 20.783 0.449 1.00 0.00 C ATOM 835 CD GLU A 58 2.136 21.091 -1.021 1.00 0.00 C ATOM 836 OE1 GLU A 58 1.219 21.876 -1.352 1.00 0.00 O ATOM 837 OE2 GLU A 58 2.842 20.499 -1.862 1.00 0.00 O ATOM 0 H GLU A 58 0.420 18.494 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 58 2.480 18.207 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.313 20.216 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.024 20.280 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.474 21.711 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.297 20.227 0.571 1.00 0.00 H new ATOM 844 N PRO A 59 -0.109 18.061 2.818 1.00 0.00 N ATOM 845 CA PRO A 59 -0.333 17.905 4.234 1.00 0.00 C ATOM 846 C PRO A 59 -0.258 16.418 4.609 1.00 0.00 C ATOM 847 O PRO A 59 -0.039 16.089 5.775 1.00 0.00 O ATOM 848 CB PRO A 59 -1.702 18.539 4.498 1.00 0.00 C ATOM 849 CG PRO A 59 -2.457 18.344 3.184 1.00 0.00 C ATOM 850 CD PRO A 59 -1.359 18.377 2.122 1.00 0.00 C ATOM 0 HA PRO A 59 0.421 18.393 4.852 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.214 18.053 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.611 19.595 4.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.998 17.398 3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.192 19.133 3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.559 17.653 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.304 19.357 1.649 1.00 0.00 H new ATOM 858 N VAL A 60 -0.387 15.531 3.612 1.00 0.00 N ATOM 859 CA VAL A 60 -0.311 14.091 3.707 1.00 0.00 C ATOM 860 C VAL A 60 1.158 13.661 3.523 1.00 0.00 C ATOM 861 O VAL A 60 1.618 12.762 4.225 1.00 0.00 O ATOM 862 CB VAL A 60 -1.257 13.510 2.631 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.311 11.985 2.614 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.711 13.999 2.789 1.00 0.00 C ATOM 0 H VAL A 60 -0.559 15.838 2.655 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.629 13.714 4.679 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.823 13.873 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.995 11.654 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.315 11.588 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.661 11.623 3.581 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.330 13.559 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.092 13.698 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.740 15.086 2.707 1.00 0.00 H new ATOM 874 N ARG A 61 1.933 14.328 2.647 1.00 0.00 N ATOM 875 CA ARG A 61 3.340 14.020 2.371 1.00 0.00 C ATOM 876 C ARG A 61 4.109 14.029 3.679 1.00 0.00 C ATOM 877 O ARG A 61 4.613 12.995 4.118 1.00 0.00 O ATOM 878 CB ARG A 61 4.007 14.995 1.367 1.00 0.00 C ATOM 879 CG ARG A 61 3.743 14.690 -0.113 1.00 0.00 C ATOM 880 CD ARG A 61 4.721 15.399 -1.065 1.00 0.00 C ATOM 881 NE ARG A 61 4.229 16.716 -1.519 1.00 0.00 N ATOM 882 CZ ARG A 61 4.433 17.229 -2.741 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.301 16.675 -3.584 1.00 0.00 N ATOM 884 NH2 ARG A 61 3.789 18.311 -3.151 1.00 0.00 N ATOM 0 H ARG A 61 1.584 15.115 2.100 1.00 0.00 H new ATOM 0 HA ARG A 61 3.366 13.036 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.659 16.006 1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.084 14.986 1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.808 13.614 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.724 14.988 -0.362 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.680 15.528 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.899 14.764 -1.933 1.00 0.00 H new ATOM 0 HE ARG A 61 3.695 17.276 -0.854 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.825 15.846 -3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.442 17.080 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.122 18.772 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.960 18.683 -4.085 1.00 0.00 H new ATOM 898 N GLN A 62 4.143 15.194 4.321 1.00 0.00 N ATOM 899 CA GLN A 62 4.848 15.374 5.579 1.00 0.00 C ATOM 900 C GLN A 62 4.290 14.436 6.643 1.00 0.00 C ATOM 901 O GLN A 62 5.034 14.009 7.523 1.00 0.00 O ATOM 902 CB GLN A 62 4.763 16.835 6.020 1.00 0.00 C ATOM 903 CG GLN A 62 3.362 17.214 6.492 1.00 0.00 C ATOM 904 CD GLN A 62 3.210 18.721 6.472 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.465 19.384 7.473 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.887 19.280 5.323 1.00 0.00 N ATOM 0 H GLN A 62 3.681 16.037 3.981 1.00 0.00 H new ATOM 0 HA GLN A 62 5.899 15.123 5.439 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.476 17.012 6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.052 17.481 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.613 16.754 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.191 16.834 7.499 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.681 18.697 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.843 20.296 5.245 1.00 0.00 H new ATOM 915 N LYS A 63 3.000 14.074 6.568 1.00 0.00 N ATOM 916 CA LYS A 63 2.463 13.132 7.506 1.00 0.00 C ATOM 917 C LYS A 63 3.195 11.815 7.385 1.00 0.00 C ATOM 918 O LYS A 63 3.738 11.374 8.377 1.00 0.00 O ATOM 919 CB LYS A 63 0.969 12.942 7.289 1.00 0.00 C ATOM 920 CG LYS A 63 0.227 13.007 8.606 1.00 0.00 C ATOM 921 CD LYS A 63 0.083 14.405 9.186 1.00 0.00 C ATOM 922 CE LYS A 63 -0.444 14.230 10.611 1.00 0.00 C ATOM 923 NZ LYS A 63 -1.902 14.056 10.643 1.00 0.00 N ATOM 0 H LYS A 63 2.337 14.422 5.875 1.00 0.00 H new ATOM 0 HA LYS A 63 2.604 13.522 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.593 13.712 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.785 11.981 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.767 12.581 8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.745 12.379 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.041 14.925 9.187 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.604 15.004 8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.034 13.365 11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.170 15.100 11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.216 13.941 11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.361 14.892 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.163 13.211 10.095 1.00 0.00 H new ATOM 937 N ILE A 64 3.252 11.178 6.222 1.00 0.00 N ATOM 938 CA ILE A 64 3.963 9.932 5.987 1.00 0.00 C ATOM 939 C ILE A 64 5.442 10.089 6.353 1.00 0.00 C ATOM 940 O ILE A 64 6.010 9.157 6.926 1.00 0.00 O ATOM 941 CB ILE A 64 3.703 9.467 4.533 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.337 8.747 4.399 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.785 8.505 4.034 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.188 9.655 3.984 1.00 0.00 C ATOM 0 H ILE A 64 2.786 11.530 5.386 1.00 0.00 H new ATOM 0 HA ILE A 64 3.591 9.138 6.635 1.00 0.00 H new ATOM 0 HB ILE A 64 3.711 10.375 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.433 7.945 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.090 8.281 5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.561 8.205 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.755 9.002 4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.810 7.622 4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.270 9.071 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.061 10.443 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.409 10.101 3.015 1.00 0.00 H new ATOM 956 N ALA A 65 6.032 11.263 6.108 1.00 0.00 N ATOM 957 CA ALA A 65 7.437 11.553 6.364 1.00 0.00 C ATOM 958 C ALA A 65 7.771 11.286 7.841 1.00 0.00 C ATOM 959 O ALA A 65 8.881 10.872 8.180 1.00 0.00 O ATOM 960 CB ALA A 65 7.724 13.018 5.991 1.00 0.00 C ATOM 0 H ALA A 65 5.527 12.057 5.715 1.00 0.00 H new ATOM 0 HA ALA A 65 8.066 10.903 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.774 13.243 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.504 13.174 4.935 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.098 13.676 6.594 1.00 0.00 H new ATOM 966 N LEU A 66 6.796 11.564 8.708 1.00 0.00 N ATOM 967 CA LEU A 66 6.844 11.476 10.153 1.00 0.00 C ATOM 968 C LEU A 66 6.164 10.204 10.658 1.00 0.00 C ATOM 969 O LEU A 66 6.774 9.405 11.363 1.00 0.00 O ATOM 970 CB LEU A 66 6.173 12.744 10.701 1.00 0.00 C ATOM 971 CG LEU A 66 6.884 14.044 10.265 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.086 15.268 10.701 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.321 14.109 10.786 1.00 0.00 C ATOM 0 H LEU A 66 5.883 11.881 8.383 1.00 0.00 H new ATOM 0 HA LEU A 66 7.875 11.415 10.503 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.137 12.774 10.364 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.153 12.696 11.790 1.00 0.00 H new ATOM 0 HG LEU A 66 6.937 14.040 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.605 16.173 10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.096 15.238 10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.986 15.269 11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.786 15.039 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.315 14.072 11.875 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.888 13.263 10.397 1.00 0.00 H new ATOM 985 N THR A 67 4.894 10.014 10.326 1.00 0.00 N ATOM 986 CA THR A 67 3.999 8.976 10.823 1.00 0.00 C ATOM 987 C THR A 67 4.508 7.596 10.406 1.00 0.00 C ATOM 988 O THR A 67 4.386 6.626 11.155 1.00 0.00 O ATOM 989 CB THR A 67 2.596 9.244 10.245 1.00 0.00 C ATOM 990 OG1 THR A 67 2.139 10.526 10.624 1.00 0.00 O ATOM 991 CG2 THR A 67 1.526 8.265 10.707 1.00 0.00 C ATOM 0 H THR A 67 4.429 10.625 9.654 1.00 0.00 H new ATOM 0 HA THR A 67 3.959 8.994 11.912 1.00 0.00 H new ATOM 0 HB THR A 67 2.728 9.141 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.526 11.201 10.028 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.571 8.528 10.252 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.804 7.254 10.408 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.435 8.310 11.792 1.00 0.00 H new ATOM 999 N HIS A 68 5.132 7.510 9.234 1.00 0.00 N ATOM 1000 CA HIS A 68 5.661 6.273 8.680 1.00 0.00 C ATOM 1001 C HIS A 68 7.167 6.403 8.488 1.00 0.00 C ATOM 1002 O HIS A 68 7.773 5.701 7.685 1.00 0.00 O ATOM 1003 CB HIS A 68 4.880 5.874 7.428 1.00 0.00 C ATOM 1004 CG HIS A 68 3.420 5.659 7.734 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.861 4.532 8.295 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.427 6.591 7.612 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.551 4.775 8.472 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.242 6.015 8.061 1.00 0.00 N ATOM 0 H HIS A 68 5.286 8.319 8.632 1.00 0.00 H new ATOM 0 HA HIS A 68 5.521 5.444 9.374 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.984 6.651 6.670 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.303 4.961 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.542 7.596 7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.845 4.071 8.887 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.319 6.450 8.075 1.00 0.00 H new ATOM 1016 N LYS A 69 7.798 7.244 9.307 1.00 0.00 N ATOM 1017 CA LYS A 69 9.243 7.276 9.511 1.00 0.00 C ATOM 1018 C LYS A 69 9.798 5.886 9.802 1.00 0.00 C ATOM 1019 O LYS A 69 10.888 5.537 9.362 1.00 0.00 O ATOM 1020 CB LYS A 69 9.490 8.250 10.657 1.00 0.00 C ATOM 1021 CG LYS A 69 10.890 8.240 11.265 1.00 0.00 C ATOM 1022 CD LYS A 69 10.996 9.398 12.266 1.00 0.00 C ATOM 1023 CE LYS A 69 11.252 10.744 11.576 1.00 0.00 C ATOM 1024 NZ LYS A 69 12.692 11.058 11.468 1.00 0.00 N ATOM 0 H LYS A 69 7.302 7.941 9.862 1.00 0.00 H new ATOM 0 HA LYS A 69 9.763 7.606 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.280 9.258 10.300 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.772 8.036 11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.079 7.290 11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.643 8.345 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.075 9.459 12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.803 9.194 12.970 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.811 10.728 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.751 11.536 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.813 11.976 10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.110 11.101 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.168 10.318 10.914 1.00 0.00 H new ATOM 1038 N ASN A 70 9.040 5.065 10.511 1.00 0.00 N ATOM 1039 CA ASN A 70 9.316 3.651 10.700 1.00 0.00 C ATOM 1040 C ASN A 70 9.526 2.888 9.377 1.00 0.00 C ATOM 1041 O ASN A 70 10.389 2.015 9.303 1.00 0.00 O ATOM 1042 CB ASN A 70 8.178 3.012 11.513 1.00 0.00 C ATOM 1043 CG ASN A 70 6.775 3.511 11.171 1.00 0.00 C ATOM 1044 OD1 ASN A 70 6.125 2.996 10.268 1.00 0.00 O ATOM 1045 ND2 ASN A 70 6.318 4.568 11.823 1.00 0.00 N ATOM 0 H ASN A 70 8.191 5.374 10.984 1.00 0.00 H new ATOM 0 HA ASN A 70 10.257 3.577 11.245 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.209 1.933 11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.363 3.194 12.572 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.412 4.967 11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.872 4.984 12.572 1.00 0.00 H new ATOM 1052 N LYS A 71 8.749 3.169 8.328 1.00 0.00 N ATOM 1053 CA LYS A 71 8.885 2.560 7.005 1.00 0.00 C ATOM 1054 C LYS A 71 9.969 3.216 6.156 1.00 0.00 C ATOM 1055 O LYS A 71 10.409 2.633 5.165 1.00 0.00 O ATOM 1056 CB LYS A 71 7.539 2.681 6.290 1.00 0.00 C ATOM 1057 CG LYS A 71 6.405 1.860 6.893 1.00 0.00 C ATOM 1058 CD LYS A 71 6.562 0.340 6.753 1.00 0.00 C ATOM 1059 CE LYS A 71 5.170 -0.293 6.884 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.221 -1.649 7.476 1.00 0.00 N ATOM 0 H LYS A 71 7.987 3.845 8.378 1.00 0.00 H new ATOM 0 HA LYS A 71 9.180 1.519 7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.243 3.730 6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.670 2.381 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.321 2.106 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.469 2.159 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.006 0.090 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.231 -0.047 7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.539 0.347 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.704 -0.346 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.258 -2.035 7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.800 -2.269 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.641 -1.597 8.426 1.00 0.00 H new ATOM 1074 N ILE A 72 10.386 4.437 6.478 1.00 0.00 N ATOM 1075 CA ILE A 72 11.447 5.117 5.730 1.00 0.00 C ATOM 1076 C ILE A 72 12.782 4.413 5.985 1.00 0.00 C ATOM 1077 O ILE A 72 13.011 3.944 7.098 1.00 0.00 O ATOM 1078 CB ILE A 72 11.470 6.595 6.154 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.185 7.263 5.637 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.716 7.354 5.665 1.00 0.00 C ATOM 1081 CD1 ILE A 72 10.035 8.720 6.063 1.00 0.00 C ATOM 0 H ILE A 72 10.006 4.980 7.254 1.00 0.00 H new ATOM 0 HA ILE A 72 11.263 5.075 4.656 1.00 0.00 H new ATOM 0 HB ILE A 72 11.518 6.634 7.242 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.171 7.209 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.324 6.699 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.666 8.390 6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.611 6.884 6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.755 7.326 4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.106 9.123 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.016 8.781 7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.876 9.299 5.682 1.00 0.00 H new ATOM 1093 N ASN A 73 13.688 4.373 4.997 1.00 0.00 N ATOM 1094 CA ASN A 73 15.037 3.821 5.204 1.00 0.00 C ATOM 1095 C ASN A 73 15.850 4.800 6.056 1.00 0.00 C ATOM 1096 O ASN A 73 16.243 4.488 7.182 1.00 0.00 O ATOM 1097 CB ASN A 73 15.732 3.374 3.894 1.00 0.00 C ATOM 1098 CG ASN A 73 16.121 4.445 2.878 1.00 0.00 C ATOM 1099 OD1 ASN A 73 16.970 5.291 3.121 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.530 4.436 1.705 1.00 0.00 N ATOM 0 H ASN A 73 13.514 4.714 4.052 1.00 0.00 H new ATOM 0 HA ASN A 73 14.955 2.886 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.637 2.830 4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.073 2.665 3.393 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.780 5.132 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.821 3.733 1.496 1.00 0.00 H new ATOM 1107 N LYS A 74 16.019 6.014 5.540 1.00 0.00 N ATOM 1108 CA LYS A 74 16.583 7.217 6.138 1.00 0.00 C ATOM 1109 C LYS A 74 16.417 8.337 5.112 1.00 0.00 C ATOM 1110 O LYS A 74 15.960 9.415 5.478 1.00 0.00 O ATOM 1111 CB LYS A 74 18.071 7.021 6.500 1.00 0.00 C ATOM 1112 CG LYS A 74 18.373 7.397 7.960 1.00 0.00 C ATOM 1113 CD LYS A 74 18.303 8.913 8.216 1.00 0.00 C ATOM 1114 CE LYS A 74 18.537 9.296 9.683 1.00 0.00 C ATOM 1115 NZ LYS A 74 19.795 8.756 10.243 1.00 0.00 N ATOM 0 H LYS A 74 15.729 6.197 4.579 1.00 0.00 H new ATOM 0 HA LYS A 74 16.069 7.458 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.350 5.981 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.687 7.628 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.664 6.890 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.366 7.035 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.046 9.413 7.595 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.326 9.282 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.548 10.383 9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.699 8.937 10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 19.914 9.095 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.759 7.717 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 20.598 9.077 9.665 1.00 0.00 H new ATOM 1129 N ALA A 75 16.636 8.034 3.821 1.00 0.00 N ATOM 1130 CA ALA A 75 16.625 8.954 2.684 1.00 0.00 C ATOM 1131 C ALA A 75 15.264 9.599 2.409 1.00 0.00 C ATOM 1132 O ALA A 75 15.109 10.318 1.424 1.00 0.00 O ATOM 1133 CB ALA A 75 17.062 8.184 1.428 1.00 0.00 C ATOM 0 H ALA A 75 16.838 7.077 3.531 1.00 0.00 H new ATOM 0 HA ALA A 75 17.308 9.765 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.059 8.856 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 75 18.067 7.788 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.370 7.361 1.247 1.00 0.00 H new ATOM 1139 N GLY A 76 14.242 9.271 3.205 1.00 0.00 N ATOM 1140 CA GLY A 76 12.900 9.781 2.999 1.00 0.00 C ATOM 1141 C GLY A 76 12.136 9.015 1.920 1.00 0.00 C ATOM 1142 O GLY A 76 10.956 9.307 1.690 1.00 0.00 O ATOM 0 H GLY A 76 14.330 8.646 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.347 9.727 3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.955 10.834 2.721 1.00 0.00 H new ATOM 1146 N GLU A 77 12.771 8.039 1.262 1.00 0.00 N ATOM 1147 CA GLU A 77 12.065 7.032 0.488 1.00 0.00 C ATOM 1148 C GLU A 77 11.289 6.175 1.476 1.00 0.00 C ATOM 1149 O GLU A 77 11.848 5.685 2.461 1.00 0.00 O ATOM 1150 CB GLU A 77 13.006 6.190 -0.391 1.00 0.00 C ATOM 1151 CG GLU A 77 13.717 7.062 -1.436 1.00 0.00 C ATOM 1152 CD GLU A 77 13.829 6.374 -2.800 1.00 0.00 C ATOM 1153 OE1 GLU A 77 14.653 5.445 -2.966 1.00 0.00 O ATOM 1154 OE2 GLU A 77 13.162 6.829 -3.755 1.00 0.00 O ATOM 0 H GLU A 77 13.785 7.932 1.256 1.00 0.00 H new ATOM 0 HA GLU A 77 11.388 7.514 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.746 5.693 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.436 5.408 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.175 8.001 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.715 7.312 -1.076 1.00 0.00 H new ATOM 1161 N LEU A 78 9.989 6.045 1.234 1.00 0.00 N ATOM 1162 CA LEU A 78 9.110 5.159 1.969 1.00 0.00 C ATOM 1163 C LEU A 78 9.219 3.809 1.287 1.00 0.00 C ATOM 1164 O LEU A 78 9.058 3.751 0.062 1.00 0.00 O ATOM 1165 CB LEU A 78 7.664 5.677 1.865 1.00 0.00 C ATOM 1166 CG LEU A 78 6.713 4.945 2.834 1.00 0.00 C ATOM 1167 CD1 LEU A 78 6.940 5.505 4.240 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.248 5.169 2.449 1.00 0.00 C ATOM 0 H LEU A 78 9.511 6.569 0.501 1.00 0.00 H new ATOM 0 HA LEU A 78 9.378 5.099 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.646 6.746 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.307 5.550 0.843 1.00 0.00 H new ATOM 0 HG LEU A 78 6.921 3.876 2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.277 5.001 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.976 5.339 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.729 6.574 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.603 4.641 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.022 6.235 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.075 4.791 1.441 1.00 0.00 H new ATOM 1180 N VAL A 79 9.502 2.752 2.044 1.00 0.00 N ATOM 1181 CA VAL A 79 9.494 1.392 1.529 1.00 0.00 C ATOM 1182 C VAL A 79 8.579 0.584 2.437 1.00 0.00 C ATOM 1183 O VAL A 79 8.633 0.733 3.659 1.00 0.00 O ATOM 1184 CB VAL A 79 10.919 0.813 1.436 1.00 0.00 C ATOM 1185 CG1 VAL A 79 10.944 -0.452 0.565 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.910 1.848 0.883 1.00 0.00 C ATOM 0 H VAL A 79 9.743 2.818 3.033 1.00 0.00 H new ATOM 0 HA VAL A 79 9.117 1.359 0.507 1.00 0.00 H new ATOM 0 HB VAL A 79 11.226 0.549 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.961 -0.840 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.288 -1.206 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.600 -0.208 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.905 1.407 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.596 2.155 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.933 2.717 1.540 1.00 0.00 H new ATOM 1196 N LEU A 80 7.743 -0.278 1.871 1.00 0.00 N ATOM 1197 CA LEU A 80 7.048 -1.308 2.613 1.00 0.00 C ATOM 1198 C LEU A 80 6.892 -2.527 1.713 1.00 0.00 C ATOM 1199 O LEU A 80 7.107 -2.445 0.498 1.00 0.00 O ATOM 1200 CB LEU A 80 5.720 -0.776 3.172 1.00 0.00 C ATOM 1201 CG LEU A 80 4.505 -0.757 2.239 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.398 0.051 2.904 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.729 -0.060 0.910 1.00 0.00 C ATOM 0 H LEU A 80 7.530 -0.277 0.873 1.00 0.00 H new ATOM 0 HA LEU A 80 7.623 -1.613 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.461 -1.374 4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.889 0.242 3.522 1.00 0.00 H new ATOM 0 HG LEU A 80 4.275 -1.807 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.524 0.075 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.130 -0.412 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.747 1.068 3.081 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.813 -0.099 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.004 0.980 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.531 -0.560 0.368 1.00 0.00 H new ATOM 1215 N THR A 81 6.561 -3.660 2.318 1.00 0.00 N ATOM 1216 CA THR A 81 6.571 -4.955 1.679 1.00 0.00 C ATOM 1217 C THR A 81 5.414 -5.754 2.276 1.00 0.00 C ATOM 1218 O THR A 81 5.213 -5.751 3.499 1.00 0.00 O ATOM 1219 CB THR A 81 7.958 -5.620 1.844 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.172 -6.146 3.131 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.140 -4.686 1.635 1.00 0.00 C ATOM 0 H THR A 81 6.271 -3.697 3.295 1.00 0.00 H new ATOM 0 HA THR A 81 6.419 -4.891 0.602 1.00 0.00 H new ATOM 0 HB THR A 81 7.920 -6.390 1.073 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.062 -6.554 3.174 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.069 -5.239 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.106 -4.276 0.626 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.093 -3.872 2.359 1.00 0.00 H new ATOM 1229 N SER A 82 4.595 -6.364 1.426 1.00 0.00 N ATOM 1230 CA SER A 82 3.507 -7.228 1.836 1.00 0.00 C ATOM 1231 C SER A 82 3.432 -8.379 0.818 1.00 0.00 C ATOM 1232 O SER A 82 3.466 -8.124 -0.390 1.00 0.00 O ATOM 1233 CB SER A 82 2.238 -6.363 1.953 1.00 0.00 C ATOM 1234 OG SER A 82 1.618 -6.593 3.208 1.00 0.00 O ATOM 0 H SER A 82 4.675 -6.266 0.414 1.00 0.00 H new ATOM 0 HA SER A 82 3.644 -7.689 2.814 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.494 -5.308 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.547 -6.603 1.145 1.00 0.00 H new ATOM 0 HG SER A 82 0.865 -7.210 3.093 1.00 0.00 H new ATOM 1240 N GLU A 83 3.378 -9.638 1.260 1.00 0.00 N ATOM 1241 CA GLU A 83 3.309 -10.790 0.362 1.00 0.00 C ATOM 1242 C GLU A 83 2.614 -11.971 1.031 1.00 0.00 C ATOM 1243 O GLU A 83 2.728 -12.148 2.249 1.00 0.00 O ATOM 1244 CB GLU A 83 4.711 -11.166 -0.160 1.00 0.00 C ATOM 1245 CG GLU A 83 5.897 -11.172 0.832 1.00 0.00 C ATOM 1246 CD GLU A 83 5.977 -12.349 1.808 1.00 0.00 C ATOM 1247 OE1 GLU A 83 5.943 -13.518 1.363 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.197 -12.094 3.018 1.00 0.00 O ATOM 0 H GLU A 83 3.381 -9.886 2.249 1.00 0.00 H new ATOM 0 HA GLU A 83 2.704 -10.512 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.644 -12.161 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.959 -10.476 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.822 -11.146 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.858 -10.251 1.414 1.00 0.00 H new ATOM 1255 N SER A 84 1.924 -12.787 0.233 1.00 0.00 N ATOM 1256 CA SER A 84 1.289 -14.026 0.670 1.00 0.00 C ATOM 1257 C SER A 84 1.065 -15.034 -0.463 1.00 0.00 C ATOM 1258 O SER A 84 0.525 -16.110 -0.197 1.00 0.00 O ATOM 1259 CB SER A 84 -0.037 -13.696 1.359 1.00 0.00 C ATOM 1260 OG SER A 84 -0.920 -12.996 0.502 1.00 0.00 O ATOM 0 H SER A 84 1.789 -12.597 -0.760 1.00 0.00 H new ATOM 0 HA SER A 84 1.974 -14.509 1.367 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.511 -14.619 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.156 -13.097 2.249 1.00 0.00 H new ATOM 0 HG SER A 84 -1.755 -12.805 0.978 1.00 0.00 H new ATOM 1266 N SER A 85 1.411 -14.709 -1.715 1.00 0.00 N ATOM 1267 CA SER A 85 0.975 -15.467 -2.876 1.00 0.00 C ATOM 1268 C SER A 85 2.073 -15.560 -3.941 1.00 0.00 C ATOM 1269 O SER A 85 3.085 -14.865 -3.879 1.00 0.00 O ATOM 1270 CB SER A 85 -0.258 -14.742 -3.422 1.00 0.00 C ATOM 1271 OG SER A 85 -1.211 -15.666 -3.891 1.00 0.00 O ATOM 0 H SER A 85 2.003 -13.910 -1.943 1.00 0.00 H new ATOM 0 HA SER A 85 0.743 -16.495 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.698 -14.123 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.036 -14.073 -4.231 1.00 0.00 H new ATOM 0 HG SER A 85 -1.504 -15.406 -4.789 1.00 0.00 H new ATOM 1277 N ARG A 86 1.865 -16.391 -4.965 1.00 0.00 N ATOM 1278 CA ARG A 86 2.798 -16.551 -6.085 1.00 0.00 C ATOM 1279 C ARG A 86 2.867 -15.339 -7.013 1.00 0.00 C ATOM 1280 O ARG A 86 3.879 -15.187 -7.695 1.00 0.00 O ATOM 1281 CB ARG A 86 2.442 -17.785 -6.931 1.00 0.00 C ATOM 1282 CG ARG A 86 0.963 -17.845 -7.354 1.00 0.00 C ATOM 1283 CD ARG A 86 0.745 -18.918 -8.416 1.00 0.00 C ATOM 1284 NE ARG A 86 1.320 -18.525 -9.712 1.00 0.00 N ATOM 1285 CZ ARG A 86 1.462 -19.289 -10.797 1.00 0.00 C ATOM 1286 NH1 ARG A 86 1.139 -20.576 -10.785 1.00 0.00 N ATOM 1287 NH2 ARG A 86 1.918 -18.739 -11.913 1.00 0.00 N ATOM 0 H ARG A 86 1.035 -16.979 -5.041 1.00 0.00 H new ATOM 0 HA ARG A 86 3.775 -16.670 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.066 -17.793 -7.825 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.685 -18.684 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.340 -18.056 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.652 -16.875 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.197 -19.854 -8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.323 -19.103 -8.533 1.00 0.00 H new ATOM 0 HE ARG A 86 1.646 -17.562 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.773 -21.002 -9.934 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.257 -21.139 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.154 -17.747 -11.933 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.033 -19.308 -12.752 1.00 0.00 H new ATOM 1301 N TYR A 87 1.792 -14.560 -7.127 1.00 0.00 N ATOM 1302 CA TYR A 87 1.589 -13.571 -8.187 1.00 0.00 C ATOM 1303 C TYR A 87 2.546 -12.373 -8.070 1.00 0.00 C ATOM 1304 O TYR A 87 3.372 -12.338 -7.167 1.00 0.00 O ATOM 1305 CB TYR A 87 0.144 -13.082 -8.125 1.00 0.00 C ATOM 1306 CG TYR A 87 -0.942 -14.140 -8.037 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.356 -14.831 -9.190 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -1.599 -14.380 -6.816 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.443 -15.719 -9.125 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -2.669 -15.287 -6.740 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.104 -15.952 -7.905 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.178 -16.783 -7.870 1.00 0.00 O ATOM 0 H TYR A 87 1.016 -14.600 -6.466 1.00 0.00 H new ATOM 0 HA TYR A 87 1.800 -14.052 -9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.046 -12.425 -7.261 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.046 -12.475 -9.010 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.838 -14.679 -10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.276 -13.860 -5.926 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.774 -16.227 -10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.156 -15.474 -5.794 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.519 -16.838 -6.953 1.00 0.00 H new ATOM 1322 N GLN A 88 2.398 -11.379 -8.959 1.00 0.00 N ATOM 1323 CA GLN A 88 3.148 -10.122 -8.944 1.00 0.00 C ATOM 1324 C GLN A 88 2.223 -9.008 -8.425 1.00 0.00 C ATOM 1325 O GLN A 88 2.159 -8.774 -7.218 1.00 0.00 O ATOM 1326 CB GLN A 88 3.823 -9.860 -10.317 1.00 0.00 C ATOM 1327 CG GLN A 88 2.964 -10.123 -11.573 1.00 0.00 C ATOM 1328 CD GLN A 88 3.705 -9.871 -12.884 1.00 0.00 C ATOM 1329 OE1 GLN A 88 4.064 -8.738 -13.204 1.00 0.00 O ATOM 1330 NE2 GLN A 88 3.889 -10.896 -13.696 1.00 0.00 N ATOM 0 H GLN A 88 1.732 -11.433 -9.730 1.00 0.00 H new ATOM 0 HA GLN A 88 3.990 -10.165 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 88 4.153 -8.821 -10.342 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.717 -10.480 -10.380 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.616 -11.156 -11.555 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.079 -9.487 -11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.586 -11.829 -13.416 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.334 -10.755 -14.603 1.00 0.00 H new ATOM 1339 N PHE A 89 1.422 -8.386 -9.298 1.00 0.00 N ATOM 1340 CA PHE A 89 0.441 -7.349 -8.982 1.00 0.00 C ATOM 1341 C PHE A 89 -0.482 -7.788 -7.840 1.00 0.00 C ATOM 1342 O PHE A 89 -0.866 -6.953 -7.040 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.354 -6.989 -10.248 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.337 -5.826 -10.170 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -2.577 -5.962 -9.519 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -1.046 -4.613 -10.821 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -3.496 -4.904 -9.497 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -1.965 -3.556 -10.828 1.00 0.00 C ATOM 1349 CZ PHE A 89 -3.183 -3.708 -10.154 1.00 0.00 C ATOM 0 H PHE A 89 1.444 -8.606 -10.294 1.00 0.00 H new ATOM 0 HA PHE A 89 0.966 -6.458 -8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.362 -6.769 -11.040 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.909 -7.875 -10.557 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.824 -6.893 -9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.098 -4.495 -11.324 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.437 -5.010 -8.978 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.737 -2.636 -11.346 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.890 -2.892 -10.141 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.862 -9.069 -7.718 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.762 -9.489 -6.629 1.00 0.00 C ATOM 1361 C ARG A 90 -1.155 -9.262 -5.248 1.00 0.00 C ATOM 1362 O ARG A 90 -1.866 -8.844 -4.340 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.152 -10.965 -6.756 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.593 -11.245 -6.310 1.00 0.00 C ATOM 1365 CD ARG A 90 -3.762 -11.390 -4.788 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.831 -10.534 -4.253 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.149 -10.746 -4.322 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.657 -11.765 -5.013 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.957 -9.879 -3.734 1.00 0.00 N ATOM 0 H ARG A 90 -0.569 -9.819 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.650 -8.865 -6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.031 -11.279 -7.793 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.469 -11.568 -6.158 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.234 -10.436 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.940 -12.159 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.981 -12.431 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.822 -11.140 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.534 -9.683 -3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.036 -12.407 -5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.667 -11.904 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.570 -9.073 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.967 -10.017 -3.771 1.00 0.00 H new ATOM 1383 N ASN A 91 0.126 -9.597 -5.078 1.00 0.00 N ATOM 1384 CA ASN A 91 0.834 -9.356 -3.826 1.00 0.00 C ATOM 1385 C ASN A 91 0.901 -7.847 -3.641 1.00 0.00 C ATOM 1386 O ASN A 91 0.424 -7.313 -2.645 1.00 0.00 O ATOM 1387 CB ASN A 91 2.260 -9.930 -3.882 1.00 0.00 C ATOM 1388 CG ASN A 91 2.392 -11.389 -3.485 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.734 -11.872 -2.566 1.00 0.00 O ATOM 1390 ND2 ASN A 91 3.267 -12.108 -4.156 1.00 0.00 N ATOM 0 H ASN A 91 0.695 -10.039 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 91 0.315 -9.841 -2.999 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.641 -9.811 -4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.899 -9.335 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.411 -13.089 -3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.801 -11.684 -4.915 1.00 0.00 H new ATOM 1397 N LEU A 92 1.488 -7.180 -4.635 1.00 0.00 N ATOM 1398 CA LEU A 92 1.814 -5.759 -4.727 1.00 0.00 C ATOM 1399 C LEU A 92 0.595 -4.855 -4.503 1.00 0.00 C ATOM 1400 O LEU A 92 0.736 -3.766 -3.952 1.00 0.00 O ATOM 1401 CB LEU A 92 2.477 -5.622 -6.108 1.00 0.00 C ATOM 1402 CG LEU A 92 3.134 -4.306 -6.539 1.00 0.00 C ATOM 1403 CD1 LEU A 92 2.133 -3.349 -7.170 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.962 -3.644 -5.437 1.00 0.00 C ATOM 0 H LEU A 92 1.775 -7.673 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 92 2.486 -5.422 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.240 -6.397 -6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.717 -5.859 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 92 3.853 -4.574 -7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.642 -2.430 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.692 -3.814 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.348 -3.117 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.396 -2.718 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.321 -3.423 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.760 -4.319 -5.126 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.605 -5.329 -4.832 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.880 -4.668 -4.605 1.00 0.00 C ATOM 1418 C ALA A 93 -2.068 -4.296 -3.143 1.00 0.00 C ATOM 1419 O ALA A 93 -2.630 -3.242 -2.856 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.020 -5.604 -5.016 1.00 0.00 C ATOM 0 H ALA A 93 -0.715 -6.234 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.890 -3.756 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.976 -5.109 -4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.923 -5.853 -6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.973 -6.517 -4.422 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.617 -5.151 -2.223 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.721 -4.892 -0.800 1.00 0.00 C ATOM 1428 C GLU A 94 -0.864 -3.684 -0.463 1.00 0.00 C ATOM 1429 O GLU A 94 -1.365 -2.751 0.143 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.289 -6.118 0.009 1.00 0.00 C ATOM 1431 CG GLU A 94 -1.937 -6.113 1.393 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.649 -7.453 2.053 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -2.256 -8.469 1.631 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -0.767 -7.484 2.946 1.00 0.00 O ATOM 0 H GLU A 94 -1.171 -6.040 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.759 -4.684 -0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.567 -7.027 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.204 -6.128 0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.539 -5.298 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.012 -5.953 1.310 1.00 0.00 H new ATOM 1441 N CYS A 95 0.399 -3.666 -0.900 1.00 0.00 N ATOM 1442 CA CYS A 95 1.306 -2.536 -0.748 1.00 0.00 C ATOM 1443 C CYS A 95 0.613 -1.242 -1.183 1.00 0.00 C ATOM 1444 O CYS A 95 0.620 -0.266 -0.429 1.00 0.00 O ATOM 1445 CB CYS A 95 2.596 -2.802 -1.543 1.00 0.00 C ATOM 1446 SG CYS A 95 3.937 -3.272 -0.416 1.00 0.00 S ATOM 0 H CYS A 95 0.824 -4.459 -1.380 1.00 0.00 H new ATOM 0 HA CYS A 95 1.580 -2.416 0.300 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.427 -3.596 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.877 -1.911 -2.104 1.00 0.00 H new ATOM 0 HG CYS A 95 5.020 -3.496 -1.100 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.030 -1.251 -2.358 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.769 -0.094 -2.857 1.00 0.00 C ATOM 1454 C LEU A 96 -1.927 0.259 -1.929 1.00 0.00 C ATOM 1455 O LEU A 96 -2.126 1.437 -1.648 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.314 -0.293 -4.280 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.317 -0.777 -5.344 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -0.969 -0.599 -6.716 1.00 0.00 C ATOM 1459 CD2 LEU A 96 1.038 -0.063 -5.328 1.00 0.00 C ATOM 0 H LEU A 96 -0.050 -2.057 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.049 0.724 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.134 -1.010 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.737 0.653 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.095 -1.820 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.281 -0.936 -7.492 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.885 -1.188 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.206 0.453 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.674 -0.472 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.890 1.003 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.516 -0.212 -4.360 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.704 -0.723 -1.464 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.785 -0.479 -0.519 1.00 0.00 C ATOM 1473 C GLN A 97 -3.239 0.169 0.746 1.00 0.00 C ATOM 1474 O GLN A 97 -3.826 1.161 1.170 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.579 -1.761 -0.216 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.811 -1.533 0.685 1.00 0.00 C ATOM 1477 CD GLN A 97 -5.496 -1.386 2.181 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -4.768 -2.207 2.742 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -6.037 -0.378 2.849 1.00 0.00 N ATOM 0 H GLN A 97 -2.599 -1.701 -1.733 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.490 0.215 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.906 -2.206 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.917 -2.482 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.330 -0.636 0.347 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.500 -2.368 0.553 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.637 0.291 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.854 -0.271 3.847 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.126 -0.318 1.317 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.615 0.236 2.572 1.00 0.00 C ATOM 1490 C LYS A 98 -1.286 1.675 2.300 1.00 0.00 C ATOM 1491 O LYS A 98 -1.788 2.519 3.007 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.376 -0.435 3.175 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.451 -1.970 3.217 1.00 0.00 C ATOM 1494 CD LYS A 98 0.885 -2.730 3.134 1.00 0.00 C ATOM 1495 CE LYS A 98 1.096 -3.459 4.460 1.00 0.00 C ATOM 1496 NZ LYS A 98 2.351 -4.225 4.556 1.00 0.00 N ATOM 0 H LYS A 98 -1.572 -1.084 0.933 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.396 0.072 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.501 -0.140 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.231 -0.061 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.951 -2.261 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.083 -2.302 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.869 -3.440 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.706 -2.038 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.072 -2.727 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.259 -4.139 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.648 -4.281 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.201 -5.185 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.091 -3.751 4.000 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.534 1.990 1.243 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.250 3.352 0.850 1.00 0.00 C ATOM 1512 C ILE A 99 -1.507 4.237 0.882 1.00 0.00 C ATOM 1513 O ILE A 99 -1.410 5.350 1.398 1.00 0.00 O ATOM 1514 CB ILE A 99 0.485 3.291 -0.501 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.921 2.787 -0.239 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.482 4.606 -1.290 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.526 2.154 -1.483 1.00 0.00 C ATOM 0 H ILE A 99 -0.105 1.291 0.636 1.00 0.00 H new ATOM 0 HA ILE A 99 0.406 3.849 1.565 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.060 2.601 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.545 3.619 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.910 2.059 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.022 4.469 -2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.546 4.900 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.968 5.384 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.537 1.811 -1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.915 1.307 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.561 2.890 -2.286 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.673 3.780 0.403 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.921 4.557 0.477 1.00 0.00 C ATOM 1531 C ARG A 100 -4.424 4.702 1.897 1.00 0.00 C ATOM 1532 O ARG A 100 -4.871 5.781 2.260 1.00 0.00 O ATOM 1533 CB ARG A 100 -5.059 3.924 -0.332 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.654 3.788 -1.789 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.788 3.388 -2.716 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.506 2.176 -2.302 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.584 1.717 -2.949 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.988 2.272 -4.093 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -8.278 0.702 -2.447 1.00 0.00 N ATOM 0 H ARG A 100 -2.779 2.869 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.660 5.530 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.305 2.944 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.957 4.537 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.239 4.737 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.859 3.047 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.498 4.213 -2.780 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.386 3.234 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.169 1.663 -1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.473 3.059 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.812 1.909 -4.573 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.990 0.272 -1.568 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.100 0.352 -2.940 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.327 3.646 2.690 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.642 3.630 4.114 1.00 0.00 C ATOM 1555 C ASP A 101 -3.780 4.657 4.847 1.00 0.00 C ATOM 1556 O ASP A 101 -4.288 5.555 5.496 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.368 2.229 4.679 1.00 0.00 C ATOM 1558 CG ASP A 101 -5.439 1.718 5.621 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -5.917 2.497 6.469 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -5.752 0.507 5.558 1.00 0.00 O ATOM 0 H ASP A 101 -4.014 2.738 2.347 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.693 3.882 4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.265 1.529 3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.413 2.242 5.205 1.00 0.00 H new ATOM 1565 N MET A 102 -2.463 4.585 4.653 1.00 0.00 N ATOM 1566 CA MET A 102 -1.445 5.450 5.228 1.00 0.00 C ATOM 1567 C MET A 102 -1.685 6.910 4.801 1.00 0.00 C ATOM 1568 O MET A 102 -1.350 7.834 5.532 1.00 0.00 O ATOM 1569 CB MET A 102 -0.050 4.955 4.780 1.00 0.00 C ATOM 1570 CG MET A 102 0.221 3.444 5.005 1.00 0.00 C ATOM 1571 SD MET A 102 1.790 2.895 5.721 1.00 0.00 S ATOM 1572 CE MET A 102 2.909 3.419 4.407 1.00 0.00 C ATOM 0 H MET A 102 -2.057 3.871 4.048 1.00 0.00 H new ATOM 0 HA MET A 102 -1.497 5.412 6.316 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.072 5.175 3.719 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.709 5.527 5.314 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.576 3.065 5.645 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.117 2.950 4.039 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.866 2.909 4.519 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.476 3.169 3.439 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.063 4.496 4.468 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.258 7.144 3.615 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.615 8.457 3.082 1.00 0.00 C ATOM 1584 C ILE A 103 -3.939 8.925 3.684 1.00 0.00 C ATOM 1585 O ILE A 103 -4.043 10.079 4.079 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.576 8.391 1.534 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.095 8.571 1.134 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.487 9.383 0.788 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.735 8.040 -0.251 1.00 0.00 C ATOM 0 H ILE A 103 -2.495 6.387 2.974 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.895 9.222 3.371 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.986 7.428 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.849 9.632 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.470 8.069 1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.374 9.243 -0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.525 9.207 1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.208 10.403 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.324 8.211 -0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.944 6.971 -0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.328 8.558 -1.005 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.928 8.045 3.804 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.203 8.299 4.446 1.00 0.00 C ATOM 1603 C ALA A 104 -6.000 8.677 5.909 1.00 0.00 C ATOM 1604 O ALA A 104 -6.592 9.654 6.376 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.066 7.042 4.324 1.00 0.00 C ATOM 0 H ALA A 104 -4.855 7.095 3.439 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.704 9.135 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.030 7.215 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.220 6.807 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.564 6.207 4.812 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.138 7.940 6.610 1.00 0.00 N ATOM 1612 CA GLU A 105 -4.838 8.137 8.019 1.00 0.00 C ATOM 1613 C GLU A 105 -4.029 9.429 8.187 1.00 0.00 C ATOM 1614 O GLU A 105 -4.071 10.065 9.233 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.172 6.870 8.623 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.662 6.945 8.930 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.223 5.834 9.890 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -1.839 4.728 9.442 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.288 6.044 11.130 1.00 0.00 O ATOM 0 H GLU A 105 -4.616 7.168 6.196 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.754 8.270 8.594 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.693 6.623 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.336 6.041 7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.097 6.867 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.427 7.916 9.365 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.321 9.849 7.134 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.610 11.112 7.021 1.00 0.00 C ATOM 1628 C ALA A 106 -3.494 12.254 6.487 1.00 0.00 C ATOM 1629 O ALA A 106 -3.013 13.381 6.335 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.404 10.893 6.110 1.00 0.00 C ATOM 0 H ALA A 106 -3.228 9.279 6.293 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.295 11.423 8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.851 11.827 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.754 10.132 6.543 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.745 10.563 5.128 1.00 0.00 H new ATOM 1636 N SER A 107 -4.774 11.991 6.214 1.00 0.00 N ATOM 1637 CA SER A 107 -5.752 12.924 5.658 1.00 0.00 C ATOM 1638 C SER A 107 -6.956 13.065 6.611 1.00 0.00 C ATOM 1639 O SER A 107 -7.894 13.801 6.318 1.00 0.00 O ATOM 1640 CB SER A 107 -6.134 12.408 4.256 1.00 0.00 C ATOM 1641 OG SER A 107 -6.840 13.323 3.438 1.00 0.00 O ATOM 0 H SER A 107 -5.176 11.070 6.385 1.00 0.00 H new ATOM 0 HA SER A 107 -5.342 13.929 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.222 12.113 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.740 11.510 4.372 1.00 0.00 H new ATOM 0 HG SER A 107 -7.469 13.835 3.988 1.00 0.00 H new ATOM 1647 N GLY A 108 -6.961 12.384 7.757 1.00 0.00 N ATOM 1648 CA GLY A 108 -8.028 12.414 8.749 1.00 0.00 C ATOM 1649 C GLY A 108 -7.502 11.860 10.075 1.00 0.00 C ATOM 1650 O GLY A 108 -6.322 12.032 10.390 1.00 0.00 O ATOM 0 H GLY A 108 -6.190 11.773 8.027 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.386 13.435 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.876 11.822 8.405 1.00 0.00 H new ATOM 1654 N PRO A 109 -8.353 11.239 10.896 1.00 0.00 N ATOM 1655 CA PRO A 109 -7.928 10.448 12.051 1.00 0.00 C ATOM 1656 C PRO A 109 -6.904 9.369 11.658 1.00 0.00 C ATOM 1657 O PRO A 109 -6.931 8.919 10.513 1.00 0.00 O ATOM 1658 CB PRO A 109 -9.216 9.803 12.575 1.00 0.00 C ATOM 1659 CG PRO A 109 -10.338 10.674 12.018 1.00 0.00 C ATOM 1660 CD PRO A 109 -9.789 11.205 10.712 1.00 0.00 C ATOM 0 HA PRO A 109 -7.433 11.067 12.799 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.309 8.772 12.235 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.234 9.783 13.665 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.249 10.096 11.861 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.589 11.484 12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.065 10.561 9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.183 12.198 10.493 1.00 0.00 H new ATOM 1668 N SER A 110 -6.081 8.861 12.584 1.00 0.00 N ATOM 1669 CA SER A 110 -5.451 7.554 12.378 1.00 0.00 C ATOM 1670 C SER A 110 -6.511 6.452 12.436 1.00 0.00 C ATOM 1671 O SER A 110 -6.451 5.485 11.673 1.00 0.00 O ATOM 1672 CB SER A 110 -4.355 7.262 13.416 1.00 0.00 C ATOM 1673 OG SER A 110 -3.088 7.712 12.966 1.00 0.00 O ATOM 0 H SER A 110 -5.841 9.322 13.461 1.00 0.00 H new ATOM 0 HA SER A 110 -4.979 7.575 11.396 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.604 7.751 14.358 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.314 6.191 13.614 1.00 0.00 H new ATOM 0 HG SER A 110 -2.648 6.997 12.460 1.00 0.00 H new ATOM 1679 N SER A 111 -7.446 6.567 13.379 1.00 0.00 N ATOM 1680 CA SER A 111 -8.469 5.576 13.692 1.00 0.00 C ATOM 1681 C SER A 111 -9.644 6.282 14.379 1.00 0.00 C ATOM 1682 O SER A 111 -9.548 7.464 14.742 1.00 0.00 O ATOM 1683 CB SER A 111 -7.881 4.524 14.655 1.00 0.00 C ATOM 1684 OG SER A 111 -6.619 4.059 14.195 1.00 0.00 O ATOM 0 H SER A 111 -7.512 7.394 13.972 1.00 0.00 H new ATOM 0 HA SER A 111 -8.806 5.088 12.778 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.772 4.957 15.649 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.570 3.685 14.747 1.00 0.00 H new ATOM 0 HG SER A 111 -6.266 3.394 14.823 1.00 0.00 H new ATOM 1690 N GLY A 112 -10.727 5.553 14.623 1.00 0.00 N ATOM 1691 CA GLY A 112 -11.823 5.942 15.497 1.00 0.00 C ATOM 1692 C GLY A 112 -12.376 4.699 16.158 1.00 0.00 C ATOM 1693 O GLY A 112 -13.052 4.794 17.196 1.00 0.00 O ATOM 0 H GLY A 112 -10.869 4.637 14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -11.474 6.648 16.251 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -12.603 6.445 14.925 1.00 0.00 H new TER 1697 GLY A 112