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 69:sc= 0.745 USER MOD Set 1.2: A 95 CYS SG : rot 180:sc= -0.587 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0608 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.414 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.66 K(o=-0.66,f=-1.4) USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0339) USER MOD Single : A 12 GLN : amide:sc=-0.00772 X(o=-0.0077,f=-0.4) USER MOD Single : A 15 SER OG : 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= -0.105 USER MOD Single : A 27 CYS SG : rot 180:sc= 0.0688 USER MOD Single : A 29 SER OG : rot -114:sc= 1.22 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.989 K(o=0.99,f=-0.0042) USER MOD Single : A 36 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.89) USER MOD Single : A 38 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.2!) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= 0.601 (180deg=-0.221!) USER MOD Single : A 41 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.6) USER MOD Single : A 42 SER OG : rot 73:sc= 1.16 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.792 (180deg=0.792) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -1.71 F(o=-2.5!,f=-1.7) USER MOD Single : A 52 SER OG : rot -39:sc= 0.0386 USER MOD Single : A 62 GLN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 71:sc= 0.132 USER MOD Single : A 68 HIS : no HD1:sc= -0.613 X(o=-0.61,f=-0.26) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.195 K(o=-0.19,f=-9.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -130:sc= 0 USER MOD Single : A 84 SER OG : rot 69:sc= 1.23 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.1) USER MOD Single : A 91 ASN : amide:sc= 2.74 K(o=2.7,f=-11!) USER MOD Single : A 97 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.13) USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.0448 (180deg=-0.325) USER MOD Single : A 102 MET CE :methyl -172:sc= -0.323 (180deg=-0.438) USER MOD Single : A 107 SER OG : rot 158:sc= 1.26 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.977 -6.850 -18.731 1.00 0.00 N ATOM 2 CA GLY A 1 -37.284 -5.412 -18.744 1.00 0.00 C ATOM 3 C GLY A 1 -36.581 -4.787 -17.561 1.00 0.00 C ATOM 4 O GLY A 1 -36.618 -5.376 -16.485 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.828 -7.389 -18.989 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.220 -7.050 -19.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.665 -7.130 -17.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -36.947 -4.956 -19.675 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.360 -5.249 -18.681 1.00 0.00 H new ATOM 8 N SER A 2 -35.895 -3.669 -17.770 1.00 0.00 N ATOM 9 CA SER A 2 -34.933 -3.086 -16.844 1.00 0.00 C ATOM 10 C SER A 2 -34.502 -1.736 -17.437 1.00 0.00 C ATOM 11 O SER A 2 -34.927 -1.398 -18.546 1.00 0.00 O ATOM 12 CB SER A 2 -33.743 -4.054 -16.656 1.00 0.00 C ATOM 13 OG SER A 2 -33.463 -4.825 -17.823 1.00 0.00 O ATOM 0 H SER A 2 -35.999 -3.122 -18.625 1.00 0.00 H new ATOM 0 HA SER A 2 -35.362 -2.924 -15.855 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.856 -3.482 -16.383 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.956 -4.727 -15.825 1.00 0.00 H new ATOM 0 HG SER A 2 -32.702 -5.417 -17.649 1.00 0.00 H new ATOM 19 N SER A 3 -33.655 -0.982 -16.737 1.00 0.00 N ATOM 20 CA SER A 3 -32.997 0.210 -17.254 1.00 0.00 C ATOM 21 C SER A 3 -31.494 0.092 -16.983 1.00 0.00 C ATOM 22 O SER A 3 -31.075 -0.738 -16.168 1.00 0.00 O ATOM 23 CB SER A 3 -33.635 1.465 -16.633 1.00 0.00 C ATOM 24 OG SER A 3 -33.773 1.371 -15.223 1.00 0.00 O ATOM 0 H SER A 3 -33.403 -1.191 -15.771 1.00 0.00 H new ATOM 0 HA SER A 3 -33.129 0.302 -18.332 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.026 2.335 -16.877 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.616 1.627 -17.080 1.00 0.00 H new ATOM 0 HG SER A 3 -34.181 2.193 -14.879 1.00 0.00 H new ATOM 30 N GLY A 4 -30.685 0.915 -17.656 1.00 0.00 N ATOM 31 CA GLY A 4 -29.292 1.139 -17.292 1.00 0.00 C ATOM 32 C GLY A 4 -29.281 2.295 -16.300 1.00 0.00 C ATOM 33 O GLY A 4 -30.003 2.243 -15.299 1.00 0.00 O ATOM 0 H GLY A 4 -30.985 1.446 -18.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.859 0.243 -16.847 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.695 1.378 -18.172 1.00 0.00 H new ATOM 37 N SER A 5 -28.582 3.382 -16.638 1.00 0.00 N ATOM 38 CA SER A 5 -28.737 4.697 -16.011 1.00 0.00 C ATOM 39 C SER A 5 -28.559 4.719 -14.476 1.00 0.00 C ATOM 40 O SER A 5 -29.050 5.649 -13.835 1.00 0.00 O ATOM 41 CB SER A 5 -30.050 5.354 -16.507 1.00 0.00 C ATOM 42 OG SER A 5 -31.151 4.459 -16.609 1.00 0.00 O ATOM 0 H SER A 5 -27.875 3.371 -17.373 1.00 0.00 H new ATOM 0 HA SER A 5 -27.899 5.312 -16.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.317 6.163 -15.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.871 5.804 -17.484 1.00 0.00 H new ATOM 0 HG SER A 5 -31.940 4.946 -16.925 1.00 0.00 H new ATOM 48 N SER A 6 -27.887 3.721 -13.881 1.00 0.00 N ATOM 49 CA SER A 6 -27.665 3.646 -12.440 1.00 0.00 C ATOM 50 C SER A 6 -26.825 4.847 -11.982 1.00 0.00 C ATOM 51 O SER A 6 -27.301 5.648 -11.177 1.00 0.00 O ATOM 52 CB SER A 6 -27.045 2.280 -12.107 1.00 0.00 C ATOM 53 OG SER A 6 -26.776 2.059 -10.734 1.00 0.00 O ATOM 0 H SER A 6 -27.482 2.940 -14.397 1.00 0.00 H new ATOM 0 HA SER A 6 -28.602 3.711 -11.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -27.717 1.498 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.114 2.176 -12.665 1.00 0.00 H new ATOM 0 HG SER A 6 -26.386 1.168 -10.616 1.00 0.00 H new ATOM 59 N GLY A 7 -25.608 5.006 -12.506 1.00 0.00 N ATOM 60 CA GLY A 7 -24.706 6.075 -12.110 1.00 0.00 C ATOM 61 C GLY A 7 -23.275 5.578 -12.018 1.00 0.00 C ATOM 62 O GLY A 7 -22.990 4.415 -12.315 1.00 0.00 O ATOM 0 H GLY A 7 -25.223 4.389 -13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.765 6.890 -12.831 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.017 6.478 -11.146 1.00 0.00 H new ATOM 66 N GLU A 8 -22.380 6.485 -11.634 1.00 0.00 N ATOM 67 CA GLU A 8 -20.965 6.229 -11.409 1.00 0.00 C ATOM 68 C GLU A 8 -20.448 7.206 -10.355 1.00 0.00 C ATOM 69 O GLU A 8 -20.013 6.795 -9.276 1.00 0.00 O ATOM 70 CB GLU A 8 -20.168 6.440 -12.704 1.00 0.00 C ATOM 71 CG GLU A 8 -20.308 5.309 -13.721 1.00 0.00 C ATOM 72 CD GLU A 8 -19.185 5.392 -14.748 1.00 0.00 C ATOM 73 OE1 GLU A 8 -19.148 6.378 -15.522 1.00 0.00 O ATOM 74 OE2 GLU A 8 -18.293 4.515 -14.745 1.00 0.00 O ATOM 0 H GLU A 8 -22.635 7.458 -11.465 1.00 0.00 H new ATOM 0 HA GLU A 8 -20.841 5.199 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -20.492 7.372 -13.168 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.114 6.558 -12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -20.277 4.345 -13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -21.275 5.375 -14.220 1.00 0.00 H new ATOM 81 N HIS A 9 -20.535 8.501 -10.684 1.00 0.00 N ATOM 82 CA HIS A 9 -19.905 9.629 -10.012 1.00 0.00 C ATOM 83 C HIS A 9 -18.365 9.596 -10.147 1.00 0.00 C ATOM 84 O HIS A 9 -17.764 8.607 -10.576 1.00 0.00 O ATOM 85 CB HIS A 9 -20.434 9.738 -8.566 1.00 0.00 C ATOM 86 CG HIS A 9 -20.086 11.037 -7.900 1.00 0.00 C ATOM 87 ND1 HIS A 9 -18.966 11.267 -7.137 1.00 0.00 N ATOM 88 CD2 HIS A 9 -20.756 12.218 -8.043 1.00 0.00 C ATOM 89 CE1 HIS A 9 -18.934 12.580 -6.860 1.00 0.00 C ATOM 90 NE2 HIS A 9 -20.014 13.194 -7.375 1.00 0.00 N ATOM 0 H HIS A 9 -21.089 8.802 -11.486 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.187 10.557 -10.509 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.518 9.621 -8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.029 8.916 -7.976 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.685 12.369 -8.573 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.152 13.074 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -20.247 14.184 -7.293 1.00 0.00 H new ATOM 98 N ALA A 10 -17.711 10.704 -9.796 1.00 0.00 N ATOM 99 CA ALA A 10 -16.270 10.893 -9.787 1.00 0.00 C ATOM 100 C ALA A 10 -15.940 11.637 -8.502 1.00 0.00 C ATOM 101 O ALA A 10 -16.313 12.800 -8.381 1.00 0.00 O ATOM 102 CB ALA A 10 -15.849 11.706 -11.022 1.00 0.00 C ATOM 0 H ALA A 10 -18.209 11.541 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 10 -15.735 9.944 -9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -14.768 11.847 -11.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.138 11.170 -11.926 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -16.342 12.678 -11.003 1.00 0.00 H new ATOM 108 N LYS A 11 -15.325 10.990 -7.510 1.00 0.00 N ATOM 109 CA LYS A 11 -14.985 11.645 -6.244 1.00 0.00 C ATOM 110 C LYS A 11 -13.721 12.468 -6.427 1.00 0.00 C ATOM 111 O LYS A 11 -12.790 12.029 -7.102 1.00 0.00 O ATOM 112 CB LYS A 11 -14.775 10.596 -5.139 1.00 0.00 C ATOM 113 CG LYS A 11 -16.012 10.476 -4.242 1.00 0.00 C ATOM 114 CD LYS A 11 -15.945 9.190 -3.418 1.00 0.00 C ATOM 115 CE LYS A 11 -16.910 9.207 -2.232 1.00 0.00 C ATOM 116 NZ LYS A 11 -16.450 10.093 -1.146 1.00 0.00 N ATOM 0 H LYS A 11 -15.051 10.009 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.805 12.299 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.555 9.628 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.910 10.870 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -16.074 11.339 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.915 10.478 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.176 8.339 -4.059 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.928 9.048 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.893 9.533 -2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.026 8.194 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.072 9.981 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.476 9.842 -0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.478 11.081 -1.469 1.00 0.00 H new ATOM 130 N GLN A 12 -13.616 13.590 -5.722 1.00 0.00 N ATOM 131 CA GLN A 12 -12.459 14.479 -5.741 1.00 0.00 C ATOM 132 C GLN A 12 -11.280 13.917 -4.914 1.00 0.00 C ATOM 133 O GLN A 12 -10.524 14.693 -4.321 1.00 0.00 O ATOM 134 CB GLN A 12 -12.898 15.884 -5.264 1.00 0.00 C ATOM 135 CG GLN A 12 -12.352 17.020 -6.148 1.00 0.00 C ATOM 136 CD GLN A 12 -13.253 17.386 -7.335 1.00 0.00 C ATOM 137 OE1 GLN A 12 -14.478 17.458 -7.215 1.00 0.00 O ATOM 138 NE2 GLN A 12 -12.688 17.657 -8.500 1.00 0.00 N ATOM 0 H GLN A 12 -14.357 13.916 -5.102 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.085 14.556 -6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.987 15.933 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -12.560 16.035 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.206 17.907 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.372 16.731 -6.527 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.675 17.598 -8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -13.266 17.925 -9.297 1.00 0.00 H new ATOM 147 N ALA A 13 -11.140 12.591 -4.791 1.00 0.00 N ATOM 148 CA ALA A 13 -10.157 11.937 -3.934 1.00 0.00 C ATOM 149 C ALA A 13 -9.278 10.980 -4.730 1.00 0.00 C ATOM 150 O ALA A 13 -9.770 10.276 -5.619 1.00 0.00 O ATOM 151 CB ALA A 13 -10.865 11.200 -2.793 1.00 0.00 C ATOM 0 H ALA A 13 -11.726 11.930 -5.301 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.508 12.704 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.124 10.715 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.439 11.912 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.536 10.448 -3.207 1.00 0.00 H new ATOM 157 N SER A 14 -7.992 10.947 -4.394 1.00 0.00 N ATOM 158 CA SER A 14 -6.981 10.101 -5.006 1.00 0.00 C ATOM 159 C SER A 14 -7.114 8.661 -4.520 1.00 0.00 C ATOM 160 O SER A 14 -6.753 8.344 -3.388 1.00 0.00 O ATOM 161 CB SER A 14 -5.599 10.677 -4.696 1.00 0.00 C ATOM 162 OG SER A 14 -5.478 11.939 -5.320 1.00 0.00 O ATOM 0 H SER A 14 -7.612 11.537 -3.654 1.00 0.00 H new ATOM 0 HA SER A 14 -7.120 10.084 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.465 10.775 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.821 10.003 -5.054 1.00 0.00 H new ATOM 0 HG SER A 14 -4.595 12.317 -5.125 1.00 0.00 H new ATOM 168 N SER A 15 -7.605 7.779 -5.389 1.00 0.00 N ATOM 169 CA SER A 15 -7.580 6.337 -5.193 1.00 0.00 C ATOM 170 C SER A 15 -7.168 5.691 -6.515 1.00 0.00 C ATOM 171 O SER A 15 -8.012 5.225 -7.281 1.00 0.00 O ATOM 172 CB SER A 15 -8.941 5.837 -4.697 1.00 0.00 C ATOM 173 OG SER A 15 -9.294 6.424 -3.459 1.00 0.00 O ATOM 0 H SER A 15 -8.041 8.057 -6.268 1.00 0.00 H new ATOM 0 HA SER A 15 -6.858 6.062 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.706 6.066 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.914 4.752 -4.591 1.00 0.00 H new ATOM 0 HG SER A 15 -10.168 6.084 -3.173 1.00 0.00 H new ATOM 179 N TYR A 16 -5.866 5.719 -6.815 1.00 0.00 N ATOM 180 CA TYR A 16 -5.274 5.114 -7.995 1.00 0.00 C ATOM 181 C TYR A 16 -3.933 4.476 -7.628 1.00 0.00 C ATOM 182 O TYR A 16 -3.799 3.255 -7.723 1.00 0.00 O ATOM 183 CB TYR A 16 -5.145 6.150 -9.124 1.00 0.00 C ATOM 184 CG TYR A 16 -4.590 7.519 -8.752 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.469 8.540 -8.339 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.209 7.793 -8.851 1.00 0.00 C ATOM 187 CE1 TYR A 16 -4.974 9.805 -7.976 1.00 0.00 C ATOM 188 CE2 TYR A 16 -2.714 9.052 -8.471 1.00 0.00 C ATOM 189 CZ TYR A 16 -3.589 10.061 -8.017 1.00 0.00 C ATOM 190 OH TYR A 16 -3.091 11.288 -7.705 1.00 0.00 O ATOM 0 H TYR A 16 -5.179 6.180 -6.219 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.924 4.323 -8.369 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.507 5.726 -9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.131 6.294 -9.565 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.531 8.349 -8.301 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.533 7.035 -9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.657 10.582 -7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.654 9.249 -8.527 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.677 11.722 -7.050 1.00 0.00 H new ATOM 200 N ILE A 17 -2.986 5.296 -7.157 1.00 0.00 N ATOM 201 CA ILE A 17 -1.580 5.007 -6.872 1.00 0.00 C ATOM 202 C ILE A 17 -0.808 4.745 -8.171 1.00 0.00 C ATOM 203 O ILE A 17 -0.919 3.669 -8.759 1.00 0.00 O ATOM 204 CB ILE A 17 -1.409 3.893 -5.813 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.260 4.127 -4.550 1.00 0.00 C ATOM 206 CG2 ILE A 17 0.075 3.739 -5.447 1.00 0.00 C ATOM 207 CD1 ILE A 17 -2.184 5.547 -3.973 1.00 0.00 C ATOM 0 H ILE A 17 -3.208 6.269 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.137 5.893 -6.416 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.772 2.968 -6.260 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.300 3.901 -4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.945 3.421 -3.782 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.186 2.952 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.644 3.476 -6.339 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.449 4.679 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.815 5.614 -3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.153 5.775 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.529 6.262 -4.720 1.00 0.00 H new ATOM 219 N PRO A 18 -0.045 5.734 -8.659 1.00 0.00 N ATOM 220 CA PRO A 18 0.599 5.669 -9.957 1.00 0.00 C ATOM 221 C PRO A 18 1.839 4.783 -9.857 1.00 0.00 C ATOM 222 O PRO A 18 2.852 5.173 -9.273 1.00 0.00 O ATOM 223 CB PRO A 18 0.909 7.132 -10.305 1.00 0.00 C ATOM 224 CG PRO A 18 1.178 7.756 -8.930 1.00 0.00 C ATOM 225 CD PRO A 18 0.288 6.978 -7.981 1.00 0.00 C ATOM 0 HA PRO A 18 -0.011 5.222 -10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.773 7.217 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.073 7.614 -10.812 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.228 7.667 -8.652 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.935 8.818 -8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.801 6.782 -7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.613 7.543 -7.742 1.00 0.00 H new ATOM 233 N LEU A 19 1.750 3.566 -10.396 1.00 0.00 N ATOM 234 CA LEU A 19 2.804 2.560 -10.279 1.00 0.00 C ATOM 235 C LEU A 19 4.107 3.054 -10.901 1.00 0.00 C ATOM 236 O LEU A 19 5.178 2.770 -10.374 1.00 0.00 O ATOM 237 CB LEU A 19 2.362 1.213 -10.894 1.00 0.00 C ATOM 238 CG LEU A 19 1.252 0.501 -10.092 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.813 -0.828 -10.709 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.694 0.205 -8.662 1.00 0.00 C ATOM 0 H LEU A 19 0.940 3.250 -10.929 1.00 0.00 H new ATOM 0 HA LEU A 19 2.988 2.392 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.010 1.386 -11.911 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.227 0.554 -10.964 1.00 0.00 H new ATOM 0 HG LEU A 19 0.415 1.199 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.031 -1.274 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.429 -0.653 -11.714 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.666 -1.505 -10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.887 -0.296 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.573 -0.439 -8.679 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.938 1.139 -8.156 1.00 0.00 H new ATOM 252 N ASP A 20 4.039 3.848 -11.968 1.00 0.00 N ATOM 253 CA ASP A 20 5.231 4.339 -12.657 1.00 0.00 C ATOM 254 C ASP A 20 6.056 5.322 -11.819 1.00 0.00 C ATOM 255 O ASP A 20 7.271 5.438 -11.986 1.00 0.00 O ATOM 256 CB ASP A 20 4.807 4.985 -13.971 1.00 0.00 C ATOM 257 CG ASP A 20 5.965 5.112 -14.953 1.00 0.00 C ATOM 258 OD1 ASP A 20 6.711 4.116 -15.110 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.034 6.159 -15.634 1.00 0.00 O ATOM 0 H ASP A 20 3.161 4.168 -12.378 1.00 0.00 H new ATOM 0 HA ASP A 20 5.882 3.484 -12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.012 4.393 -14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.393 5.973 -13.771 1.00 0.00 H new ATOM 264 N ARG A 21 5.407 6.035 -10.894 1.00 0.00 N ATOM 265 CA ARG A 21 6.049 6.912 -9.925 1.00 0.00 C ATOM 266 C ARG A 21 6.576 6.172 -8.696 1.00 0.00 C ATOM 267 O ARG A 21 7.389 6.751 -7.970 1.00 0.00 O ATOM 268 CB ARG A 21 5.024 7.983 -9.535 1.00 0.00 C ATOM 269 CG ARG A 21 5.295 9.319 -10.219 1.00 0.00 C ATOM 270 CD ARG A 21 6.051 10.203 -9.228 1.00 0.00 C ATOM 271 NE ARG A 21 6.447 11.506 -9.775 1.00 0.00 N ATOM 272 CZ ARG A 21 7.484 11.798 -10.571 1.00 0.00 C ATOM 273 NH1 ARG A 21 8.243 10.870 -11.150 1.00 0.00 N ATOM 274 NH2 ARG A 21 7.763 13.078 -10.755 1.00 0.00 N ATOM 0 H ARG A 21 4.392 6.014 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 21 6.933 7.360 -10.379 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.024 7.639 -9.798 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.039 8.121 -8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.882 9.172 -11.126 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.360 9.792 -10.518 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.426 10.364 -8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.943 9.675 -8.892 1.00 0.00 H new ATOM 0 HE ARG A 21 5.854 12.294 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.046 9.881 -10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.021 11.148 -11.748 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.197 13.794 -10.299 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.544 13.349 -11.353 1.00 0.00 H new ATOM 288 N LEU A 22 6.158 4.928 -8.455 1.00 0.00 N ATOM 289 CA LEU A 22 6.768 4.097 -7.425 1.00 0.00 C ATOM 290 C LEU A 22 8.068 3.506 -7.987 1.00 0.00 C ATOM 291 O LEU A 22 8.484 3.810 -9.104 1.00 0.00 O ATOM 292 CB LEU A 22 5.829 2.964 -6.964 1.00 0.00 C ATOM 293 CG LEU A 22 4.411 3.346 -6.504 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.546 2.103 -6.288 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.406 4.129 -5.189 1.00 0.00 C ATOM 0 H LEU A 22 5.397 4.476 -8.963 1.00 0.00 H new ATOM 0 HA LEU A 22 6.972 4.717 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.734 2.254 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.317 2.439 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 22 4.010 3.971 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.550 2.405 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.470 1.546 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.001 1.472 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.380 4.371 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.859 3.524 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.976 5.050 -5.312 1.00 0.00 H new ATOM 307 N SER A 23 8.689 2.632 -7.206 1.00 0.00 N ATOM 308 CA SER A 23 9.828 1.797 -7.524 1.00 0.00 C ATOM 309 C SER A 23 9.459 0.408 -6.983 1.00 0.00 C ATOM 310 O SER A 23 9.711 0.082 -5.823 1.00 0.00 O ATOM 311 CB SER A 23 11.067 2.408 -6.853 1.00 0.00 C ATOM 312 OG SER A 23 11.305 3.750 -7.268 1.00 0.00 O ATOM 0 H SER A 23 8.375 2.480 -6.247 1.00 0.00 H new ATOM 0 HA SER A 23 10.060 1.723 -8.586 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.940 2.383 -5.771 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.940 1.799 -7.086 1.00 0.00 H new ATOM 0 HG SER A 23 12.101 4.096 -6.814 1.00 0.00 H new ATOM 318 N ILE A 24 8.728 -0.370 -7.781 1.00 0.00 N ATOM 319 CA ILE A 24 8.245 -1.714 -7.456 1.00 0.00 C ATOM 320 C ILE A 24 9.416 -2.668 -7.613 1.00 0.00 C ATOM 321 O ILE A 24 10.257 -2.486 -8.502 1.00 0.00 O ATOM 322 CB ILE A 24 7.106 -2.105 -8.432 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.871 -1.190 -8.310 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.582 -3.519 -8.188 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.956 -0.028 -9.274 1.00 0.00 C ATOM 0 H ILE A 24 8.443 -0.068 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 24 7.855 -1.754 -6.439 1.00 0.00 H new ATOM 0 HB ILE A 24 7.569 -2.015 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.967 -1.766 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.792 -0.815 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.786 -3.740 -8.899 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.393 -4.235 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.192 -3.592 -7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.072 0.600 -9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.848 0.560 -9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.010 -0.406 -10.295 1.00 0.00 H new ATOM 337 N SER A 25 9.423 -3.725 -6.805 1.00 0.00 N ATOM 338 CA SER A 25 10.404 -4.801 -6.924 1.00 0.00 C ATOM 339 C SER A 25 9.808 -6.097 -6.358 1.00 0.00 C ATOM 340 O SER A 25 9.295 -6.067 -5.245 1.00 0.00 O ATOM 341 CB SER A 25 11.665 -4.329 -6.178 1.00 0.00 C ATOM 342 OG SER A 25 12.816 -5.012 -6.615 1.00 0.00 O ATOM 0 H SER A 25 8.750 -3.860 -6.050 1.00 0.00 H new ATOM 0 HA SER A 25 10.670 -5.021 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.798 -3.258 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.534 -4.485 -5.107 1.00 0.00 H new ATOM 0 HG SER A 25 13.597 -4.686 -6.121 1.00 0.00 H new ATOM 348 N TYR A 26 9.785 -7.216 -7.093 1.00 0.00 N ATOM 349 CA TYR A 26 9.335 -8.504 -6.535 1.00 0.00 C ATOM 350 C TYR A 26 10.549 -9.303 -6.077 1.00 0.00 C ATOM 351 O TYR A 26 11.591 -9.236 -6.735 1.00 0.00 O ATOM 352 CB TYR A 26 8.502 -9.299 -7.542 1.00 0.00 C ATOM 353 CG TYR A 26 7.514 -8.439 -8.301 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.484 -7.765 -7.615 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.748 -8.166 -9.661 1.00 0.00 C ATOM 356 CE1 TYR A 26 5.711 -6.812 -8.284 1.00 0.00 C ATOM 357 CE2 TYR A 26 6.944 -7.241 -10.344 1.00 0.00 C ATOM 358 CZ TYR A 26 5.905 -6.570 -9.662 1.00 0.00 C ATOM 359 OH TYR A 26 5.133 -5.654 -10.304 1.00 0.00 O ATOM 0 H TYR A 26 10.071 -7.259 -8.071 1.00 0.00 H new ATOM 0 HA TYR A 26 8.688 -8.306 -5.680 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.169 -9.789 -8.251 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.962 -10.087 -7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.292 -7.984 -6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.549 -8.670 -10.181 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.959 -6.256 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.120 -7.042 -11.391 1.00 0.00 H new ATOM 0 HH TYR A 26 5.396 -5.608 -11.247 1.00 0.00 H new ATOM 369 N CYS A 27 10.442 -10.040 -4.966 1.00 0.00 N ATOM 370 CA CYS A 27 11.599 -10.647 -4.311 1.00 0.00 C ATOM 371 C CYS A 27 11.257 -11.961 -3.604 1.00 0.00 C ATOM 372 O CYS A 27 10.134 -12.461 -3.657 1.00 0.00 O ATOM 373 CB CYS A 27 12.201 -9.648 -3.300 1.00 0.00 C ATOM 374 SG CYS A 27 14.012 -9.642 -3.422 1.00 0.00 S ATOM 0 H CYS A 27 9.555 -10.230 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 27 12.325 -10.884 -5.088 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.814 -8.648 -3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.899 -9.918 -2.288 1.00 0.00 H new ATOM 0 HG CYS A 27 14.502 -8.795 -2.566 1.00 0.00 H new ATOM 380 N ARG A 28 12.247 -12.495 -2.891 1.00 0.00 N ATOM 381 CA ARG A 28 12.134 -13.625 -1.978 1.00 0.00 C ATOM 382 C ARG A 28 11.392 -13.209 -0.700 1.00 0.00 C ATOM 383 O ARG A 28 11.391 -12.026 -0.334 1.00 0.00 O ATOM 384 CB ARG A 28 13.571 -14.097 -1.669 1.00 0.00 C ATOM 385 CG ARG A 28 13.815 -15.599 -1.854 1.00 0.00 C ATOM 386 CD ARG A 28 13.434 -16.413 -0.622 1.00 0.00 C ATOM 387 NE ARG A 28 14.186 -17.670 -0.561 1.00 0.00 N ATOM 388 CZ ARG A 28 14.030 -18.602 0.378 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.038 -18.516 1.254 1.00 0.00 N ATOM 390 NH2 ARG A 28 14.880 -19.615 0.461 1.00 0.00 N ATOM 0 H ARG A 28 13.198 -12.130 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 28 11.559 -14.437 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.262 -13.550 -2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.812 -13.829 -0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.241 -15.953 -2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.867 -15.766 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.626 -15.828 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.365 -16.627 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 28 14.878 -17.843 -1.290 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.387 -17.732 1.212 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.926 -19.234 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.658 -19.683 -0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.757 -20.326 1.182 1.00 0.00 H new ATOM 404 N SER A 29 10.845 -14.192 0.017 1.00 0.00 N ATOM 405 CA SER A 29 10.332 -14.070 1.377 1.00 0.00 C ATOM 406 C SER A 29 11.021 -15.141 2.247 1.00 0.00 C ATOM 407 O SER A 29 11.618 -16.082 1.705 1.00 0.00 O ATOM 408 CB SER A 29 8.797 -14.195 1.365 1.00 0.00 C ATOM 409 OG SER A 29 8.381 -15.480 0.923 1.00 0.00 O ATOM 0 H SER A 29 10.744 -15.137 -0.354 1.00 0.00 H new ATOM 0 HA SER A 29 10.557 -13.093 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.408 -14.010 2.367 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.374 -13.431 0.713 1.00 0.00 H new ATOM 0 HG SER A 29 7.913 -15.396 0.066 1.00 0.00 H new ATOM 415 N SER A 30 10.974 -15.025 3.578 1.00 0.00 N ATOM 416 CA SER A 30 11.697 -15.921 4.482 1.00 0.00 C ATOM 417 C SER A 30 11.278 -17.388 4.288 1.00 0.00 C ATOM 418 O SER A 30 10.095 -17.707 4.133 1.00 0.00 O ATOM 419 CB SER A 30 11.484 -15.494 5.940 1.00 0.00 C ATOM 420 OG SER A 30 12.420 -16.152 6.777 1.00 0.00 O ATOM 0 H SER A 30 10.433 -14.306 4.058 1.00 0.00 H new ATOM 0 HA SER A 30 12.757 -15.847 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.597 -14.414 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.469 -15.736 6.254 1.00 0.00 H new ATOM 0 HG SER A 30 12.280 -15.874 7.706 1.00 0.00 H new ATOM 426 N GLY A 31 12.259 -18.290 4.343 1.00 0.00 N ATOM 427 CA GLY A 31 12.080 -19.732 4.261 1.00 0.00 C ATOM 428 C GLY A 31 13.450 -20.397 4.105 1.00 0.00 C ATOM 429 O GLY A 31 13.844 -20.672 2.968 1.00 0.00 O ATOM 0 H GLY A 31 13.237 -18.021 4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.582 -20.101 5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.441 -19.984 3.415 1.00 0.00 H new ATOM 433 N PRO A 32 14.218 -20.558 5.195 1.00 0.00 N ATOM 434 CA PRO A 32 15.537 -21.172 5.180 1.00 0.00 C ATOM 435 C PRO A 32 15.420 -22.677 4.938 1.00 0.00 C ATOM 436 O PRO A 32 15.136 -23.455 5.855 1.00 0.00 O ATOM 437 CB PRO A 32 16.174 -20.832 6.531 1.00 0.00 C ATOM 438 CG PRO A 32 14.971 -20.665 7.451 1.00 0.00 C ATOM 439 CD PRO A 32 13.848 -20.178 6.546 1.00 0.00 C ATOM 0 HA PRO A 32 16.163 -20.796 4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.837 -21.626 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 32 16.770 -19.921 6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.709 -21.607 7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.178 -19.947 8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.897 -20.629 6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.725 -19.098 6.626 1.00 0.00 H new ATOM 447 N GLY A 33 15.635 -23.081 3.691 1.00 0.00 N ATOM 448 CA GLY A 33 15.643 -24.456 3.253 1.00 0.00 C ATOM 449 C GLY A 33 15.263 -24.434 1.788 1.00 0.00 C ATOM 450 O GLY A 33 16.054 -23.997 0.953 1.00 0.00 O ATOM 0 H GLY A 33 15.815 -22.424 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.627 -24.904 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.936 -25.053 3.830 1.00 0.00 H new ATOM 454 N GLY A 34 14.028 -24.816 1.483 1.00 0.00 N ATOM 455 CA GLY A 34 13.569 -25.011 0.119 1.00 0.00 C ATOM 456 C GLY A 34 12.748 -26.289 0.092 1.00 0.00 C ATOM 457 O GLY A 34 13.283 -27.377 -0.105 1.00 0.00 O ATOM 0 H GLY A 34 13.312 -25.000 2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.968 -24.162 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.416 -25.085 -0.564 1.00 0.00 H new ATOM 461 N GLN A 35 11.457 -26.167 0.381 1.00 0.00 N ATOM 462 CA GLN A 35 10.457 -27.225 0.347 1.00 0.00 C ATOM 463 C GLN A 35 9.233 -26.583 -0.316 1.00 0.00 C ATOM 464 O GLN A 35 9.390 -25.689 -1.148 1.00 0.00 O ATOM 465 CB GLN A 35 10.188 -27.742 1.778 1.00 0.00 C ATOM 466 CG GLN A 35 11.383 -28.444 2.442 1.00 0.00 C ATOM 467 CD GLN A 35 11.639 -29.828 1.849 1.00 0.00 C ATOM 468 OE1 GLN A 35 11.107 -30.813 2.340 1.00 0.00 O ATOM 469 NE2 GLN A 35 12.449 -29.938 0.810 1.00 0.00 N ATOM 0 H GLN A 35 11.058 -25.272 0.662 1.00 0.00 H new ATOM 0 HA GLN A 35 10.768 -28.106 -0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.885 -26.902 2.402 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.348 -28.436 1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.275 -27.829 2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.199 -28.537 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.885 -29.106 0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.638 -30.855 0.406 1.00 0.00 H new ATOM 478 N ASN A 36 8.024 -26.985 0.067 1.00 0.00 N ATOM 479 CA ASN A 36 6.768 -26.425 -0.425 1.00 0.00 C ATOM 480 C ASN A 36 6.769 -24.896 -0.341 1.00 0.00 C ATOM 481 O ASN A 36 6.368 -24.230 -1.289 1.00 0.00 O ATOM 482 CB ASN A 36 5.574 -27.026 0.344 1.00 0.00 C ATOM 483 CG ASN A 36 5.035 -26.108 1.429 1.00 0.00 C ATOM 484 OD1 ASN A 36 4.188 -25.256 1.184 1.00 0.00 O ATOM 485 ND2 ASN A 36 5.575 -26.206 2.635 1.00 0.00 N ATOM 0 H ASN A 36 7.887 -27.732 0.748 1.00 0.00 H new ATOM 0 HA ASN A 36 6.666 -26.691 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.774 -27.253 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.879 -27.970 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.287 -25.567 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.278 -26.920 2.822 1.00 0.00 H new ATOM 492 N VAL A 37 7.249 -24.387 0.801 1.00 0.00 N ATOM 493 CA VAL A 37 7.107 -23.058 1.370 1.00 0.00 C ATOM 494 C VAL A 37 5.865 -22.335 0.831 1.00 0.00 C ATOM 495 O VAL A 37 5.938 -21.721 -0.226 1.00 0.00 O ATOM 496 CB VAL A 37 8.428 -22.270 1.171 1.00 0.00 C ATOM 497 CG1 VAL A 37 8.360 -20.797 1.633 1.00 0.00 C ATOM 498 CG2 VAL A 37 9.587 -22.949 1.925 1.00 0.00 C ATOM 0 H VAL A 37 7.812 -24.976 1.415 1.00 0.00 H new ATOM 0 HA VAL A 37 6.934 -23.137 2.443 1.00 0.00 H new ATOM 0 HB VAL A 37 8.596 -22.275 0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.323 -20.317 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.587 -20.274 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.122 -20.760 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.504 -22.380 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.356 -22.986 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.722 -23.963 1.548 1.00 0.00 H new ATOM 508 N ASN A 38 4.751 -22.339 1.578 1.00 0.00 N ATOM 509 CA ASN A 38 3.439 -21.822 1.146 1.00 0.00 C ATOM 510 C ASN A 38 3.501 -20.480 0.406 1.00 0.00 C ATOM 511 O ASN A 38 2.846 -20.296 -0.621 1.00 0.00 O ATOM 512 CB ASN A 38 2.507 -21.635 2.361 1.00 0.00 C ATOM 513 CG ASN A 38 1.615 -22.829 2.671 1.00 0.00 C ATOM 514 OD1 ASN A 38 1.289 -23.620 1.792 1.00 0.00 O ATOM 515 ND2 ASN A 38 1.187 -22.979 3.913 1.00 0.00 N ATOM 0 H ASN A 38 4.735 -22.712 2.527 1.00 0.00 H new ATOM 0 HA ASN A 38 3.061 -22.572 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.116 -21.417 3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.876 -20.764 2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 38 0.577 -23.761 4.151 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.467 -22.313 4.633 1.00 0.00 H new ATOM 522 N LYS A 39 4.270 -19.530 0.942 1.00 0.00 N ATOM 523 CA LYS A 39 4.448 -18.181 0.395 1.00 0.00 C ATOM 524 C LYS A 39 5.127 -18.149 -0.972 1.00 0.00 C ATOM 525 O LYS A 39 4.996 -17.172 -1.697 1.00 0.00 O ATOM 526 CB LYS A 39 5.260 -17.346 1.394 1.00 0.00 C ATOM 527 CG LYS A 39 4.366 -16.906 2.567 1.00 0.00 C ATOM 528 CD LYS A 39 4.602 -15.463 3.028 1.00 0.00 C ATOM 529 CE LYS A 39 5.726 -15.274 4.055 1.00 0.00 C ATOM 530 NZ LYS A 39 5.750 -13.883 4.561 1.00 0.00 N ATOM 0 H LYS A 39 4.804 -19.683 1.797 1.00 0.00 H new ATOM 0 HA LYS A 39 3.451 -17.766 0.245 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.102 -17.929 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.675 -16.470 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.322 -17.016 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.534 -17.577 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.826 -14.853 2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.675 -15.080 3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.585 -15.965 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.686 -15.516 3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.156 -13.869 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.331 -13.294 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.781 -13.507 4.590 1.00 0.00 H new ATOM 544 N VAL A 40 5.831 -19.222 -1.302 1.00 0.00 N ATOM 545 CA VAL A 40 6.540 -19.506 -2.534 1.00 0.00 C ATOM 546 C VAL A 40 7.253 -18.261 -3.058 1.00 0.00 C ATOM 547 O VAL A 40 7.003 -17.776 -4.161 1.00 0.00 O ATOM 548 CB VAL A 40 5.620 -20.305 -3.491 1.00 0.00 C ATOM 549 CG1 VAL A 40 4.296 -19.615 -3.837 1.00 0.00 C ATOM 550 CG2 VAL A 40 6.300 -20.717 -4.805 1.00 0.00 C ATOM 0 H VAL A 40 5.927 -19.993 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 40 7.381 -20.182 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 40 5.400 -21.194 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.720 -20.249 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.725 -19.444 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.499 -18.660 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.593 -21.272 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.627 -19.826 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.163 -21.346 -4.586 1.00 0.00 H new ATOM 560 N ASN A 41 8.198 -17.769 -2.252 1.00 0.00 N ATOM 561 CA ASN A 41 8.957 -16.540 -2.456 1.00 0.00 C ATOM 562 C ASN A 41 8.002 -15.349 -2.604 1.00 0.00 C ATOM 563 O ASN A 41 7.555 -14.849 -1.573 1.00 0.00 O ATOM 564 CB ASN A 41 9.988 -16.714 -3.591 1.00 0.00 C ATOM 565 CG ASN A 41 11.057 -17.757 -3.293 1.00 0.00 C ATOM 566 OD1 ASN A 41 11.253 -18.169 -2.153 1.00 0.00 O ATOM 567 ND2 ASN A 41 11.770 -18.220 -4.299 1.00 0.00 N ATOM 0 H ASN A 41 8.466 -18.248 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 41 9.560 -16.313 -1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.465 -16.994 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.471 -15.756 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.489 -18.924 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.603 -17.874 -5.244 1.00 0.00 H new ATOM 574 N SER A 42 7.698 -14.938 -3.838 1.00 0.00 N ATOM 575 CA SER A 42 6.650 -14.042 -4.303 1.00 0.00 C ATOM 576 C SER A 42 6.328 -12.858 -3.393 1.00 0.00 C ATOM 577 O SER A 42 5.171 -12.524 -3.133 1.00 0.00 O ATOM 578 CB SER A 42 5.432 -14.881 -4.652 1.00 0.00 C ATOM 579 OG SER A 42 5.799 -15.914 -5.548 1.00 0.00 O ATOM 0 H SER A 42 8.253 -15.270 -4.627 1.00 0.00 H new ATOM 0 HA SER A 42 7.028 -13.534 -5.190 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.003 -15.309 -3.746 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.664 -14.253 -5.103 1.00 0.00 H new ATOM 0 HG SER A 42 6.311 -16.597 -5.067 1.00 0.00 H new ATOM 585 N LYS A 43 7.368 -12.149 -2.969 1.00 0.00 N ATOM 586 CA LYS A 43 7.221 -10.917 -2.223 1.00 0.00 C ATOM 587 C LYS A 43 6.914 -9.792 -3.206 1.00 0.00 C ATOM 588 O LYS A 43 7.323 -9.865 -4.367 1.00 0.00 O ATOM 589 CB LYS A 43 8.521 -10.705 -1.445 1.00 0.00 C ATOM 590 CG LYS A 43 8.462 -9.564 -0.418 1.00 0.00 C ATOM 591 CD LYS A 43 9.756 -8.749 -0.343 1.00 0.00 C ATOM 592 CE LYS A 43 10.460 -8.847 1.011 1.00 0.00 C ATOM 593 NZ LYS A 43 11.828 -9.380 0.869 1.00 0.00 N ATOM 0 H LYS A 43 8.337 -12.418 -3.136 1.00 0.00 H new ATOM 0 HA LYS A 43 6.398 -10.945 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.777 -11.630 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.325 -10.501 -2.152 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.636 -8.899 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.246 -9.981 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.437 -9.090 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.530 -7.703 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.498 -7.861 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.884 -9.491 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.278 -9.434 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.788 -10.330 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.383 -8.752 0.253 1.00 0.00 H new ATOM 607 N ALA A 44 6.271 -8.731 -2.738 1.00 0.00 N ATOM 608 CA ALA A 44 6.191 -7.451 -3.405 1.00 0.00 C ATOM 609 C ALA A 44 6.811 -6.437 -2.450 1.00 0.00 C ATOM 610 O ALA A 44 6.391 -6.333 -1.297 1.00 0.00 O ATOM 611 CB ALA A 44 4.728 -7.152 -3.721 1.00 0.00 C ATOM 0 H ALA A 44 5.773 -8.745 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 44 6.726 -7.425 -4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.654 -6.188 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.329 -7.932 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.154 -7.122 -2.795 1.00 0.00 H new ATOM 617 N GLU A 45 7.849 -5.739 -2.900 1.00 0.00 N ATOM 618 CA GLU A 45 8.431 -4.576 -2.265 1.00 0.00 C ATOM 619 C GLU A 45 8.019 -3.418 -3.159 1.00 0.00 C ATOM 620 O GLU A 45 7.887 -3.558 -4.379 1.00 0.00 O ATOM 621 CB GLU A 45 9.962 -4.735 -2.169 1.00 0.00 C ATOM 622 CG GLU A 45 10.673 -3.423 -1.787 1.00 0.00 C ATOM 623 CD GLU A 45 12.174 -3.565 -1.535 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.687 -4.682 -1.285 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.870 -2.519 -1.578 1.00 0.00 O ATOM 0 H GLU A 45 8.328 -5.989 -3.765 1.00 0.00 H new ATOM 0 HA GLU A 45 8.092 -4.422 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.198 -5.500 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.347 -5.087 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.519 -2.696 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.204 -3.018 -0.890 1.00 0.00 H new ATOM 632 N VAL A 46 7.806 -2.264 -2.564 1.00 0.00 N ATOM 633 CA VAL A 46 7.661 -1.036 -3.294 1.00 0.00 C ATOM 634 C VAL A 46 8.269 0.084 -2.466 1.00 0.00 C ATOM 635 O VAL A 46 8.110 0.142 -1.243 1.00 0.00 O ATOM 636 CB VAL A 46 6.193 -0.850 -3.705 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.228 -0.556 -2.551 1.00 0.00 C ATOM 638 CG2 VAL A 46 6.085 0.254 -4.746 1.00 0.00 C ATOM 0 H VAL A 46 7.729 -2.157 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 46 8.207 -1.039 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 46 5.884 -1.813 -4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.217 -0.441 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.250 -1.381 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.530 0.364 -2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.042 0.382 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.463 1.187 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.673 -0.014 -5.623 1.00 0.00 H new ATOM 648 N ARG A 47 8.997 0.947 -3.160 1.00 0.00 N ATOM 649 CA ARG A 47 9.634 2.139 -2.646 1.00 0.00 C ATOM 650 C ARG A 47 9.025 3.321 -3.382 1.00 0.00 C ATOM 651 O ARG A 47 8.608 3.162 -4.527 1.00 0.00 O ATOM 652 CB ARG A 47 11.141 1.965 -2.863 1.00 0.00 C ATOM 653 CG ARG A 47 11.980 3.240 -2.754 1.00 0.00 C ATOM 654 CD ARG A 47 13.444 2.861 -2.505 1.00 0.00 C ATOM 655 NE ARG A 47 14.020 2.096 -3.623 1.00 0.00 N ATOM 656 CZ ARG A 47 14.532 2.574 -4.765 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.542 3.872 -5.049 1.00 0.00 N ATOM 658 NH2 ARG A 47 15.040 1.728 -5.647 1.00 0.00 N ATOM 0 H ARG A 47 9.166 0.821 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 47 9.480 2.313 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.513 1.244 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.299 1.531 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.894 3.825 -3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.610 3.864 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.030 3.767 -2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.514 2.272 -1.590 1.00 0.00 H new ATOM 0 HE ARG A 47 14.031 1.082 -3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.151 4.542 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.941 4.198 -5.929 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.038 0.727 -5.453 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.433 2.077 -6.521 1.00 0.00 H new ATOM 672 N PHE A 48 8.940 4.489 -2.761 1.00 0.00 N ATOM 673 CA PHE A 48 8.799 5.744 -3.480 1.00 0.00 C ATOM 674 C PHE A 48 9.464 6.851 -2.684 1.00 0.00 C ATOM 675 O PHE A 48 9.438 6.823 -1.450 1.00 0.00 O ATOM 676 CB PHE A 48 7.324 6.053 -3.765 1.00 0.00 C ATOM 677 CG PHE A 48 6.381 6.065 -2.576 1.00 0.00 C ATOM 678 CD1 PHE A 48 5.834 4.859 -2.098 1.00 0.00 C ATOM 679 CD2 PHE A 48 6.001 7.282 -1.982 1.00 0.00 C ATOM 680 CE1 PHE A 48 4.883 4.873 -1.065 1.00 0.00 C ATOM 681 CE2 PHE A 48 5.061 7.294 -0.936 1.00 0.00 C ATOM 682 CZ PHE A 48 4.479 6.093 -0.498 1.00 0.00 C ATOM 0 H PHE A 48 8.967 4.592 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 48 9.294 5.666 -4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.270 7.027 -4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.956 5.319 -4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.147 3.919 -2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.432 8.209 -2.330 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.462 3.945 -0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.786 8.228 -0.469 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.723 6.108 0.273 1.00 0.00 H new ATOM 692 N HIS A 49 9.985 7.877 -3.356 1.00 0.00 N ATOM 693 CA HIS A 49 10.328 9.113 -2.690 1.00 0.00 C ATOM 694 C HIS A 49 9.038 9.842 -2.412 1.00 0.00 C ATOM 695 O HIS A 49 8.382 10.364 -3.312 1.00 0.00 O ATOM 696 CB HIS A 49 11.369 9.959 -3.435 1.00 0.00 C ATOM 697 CG HIS A 49 11.968 11.026 -2.545 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.069 10.987 -1.177 1.00 0.00 N flip ATOM 699 CD2 HIS A 49 12.545 12.206 -2.959 1.00 0.00 C flip ATOM 700 CE1 HIS A 49 12.656 12.169 -0.750 1.00 0.00 C flip ATOM 701 NE2 HIS A 49 12.959 12.858 -1.860 1.00 0.00 N flip ATOM 0 H HIS A 49 10.175 7.868 -4.358 1.00 0.00 H new ATOM 0 HA HIS A 49 10.838 8.892 -1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.162 9.312 -3.810 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.903 10.428 -4.302 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.646 12.545 -3.980 1.00 0.00 H new ATOM 0 HE1 HIS A 49 12.833 12.473 0.271 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.440 13.757 -1.869 1.00 0.00 H new ATOM 709 N LEU A 50 8.689 9.830 -1.131 1.00 0.00 N ATOM 710 CA LEU A 50 7.533 10.476 -0.560 1.00 0.00 C ATOM 711 C LEU A 50 7.602 11.974 -0.868 1.00 0.00 C ATOM 712 O LEU A 50 6.601 12.553 -1.269 1.00 0.00 O ATOM 713 CB LEU A 50 7.553 10.151 0.934 1.00 0.00 C ATOM 714 CG LEU A 50 6.623 10.979 1.834 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.100 12.421 2.011 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.168 10.885 1.372 1.00 0.00 C ATOM 0 H LEU A 50 9.243 9.338 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 50 6.589 10.127 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.296 9.099 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.574 10.274 1.295 1.00 0.00 H new ATOM 0 HG LEU A 50 6.667 10.537 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.404 12.958 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.091 12.423 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.145 12.911 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.538 11.482 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.085 11.260 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.843 9.845 1.403 1.00 0.00 H new ATOM 728 N ALA A 51 8.766 12.617 -0.705 1.00 0.00 N ATOM 729 CA ALA A 51 8.872 14.055 -0.927 1.00 0.00 C ATOM 730 C ALA A 51 8.543 14.396 -2.382 1.00 0.00 C ATOM 731 O ALA A 51 7.839 15.363 -2.647 1.00 0.00 O ATOM 732 CB ALA A 51 10.250 14.557 -0.519 1.00 0.00 C ATOM 0 H ALA A 51 9.636 12.165 -0.423 1.00 0.00 H new ATOM 0 HA ALA A 51 8.142 14.567 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.312 15.632 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.415 14.349 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.012 14.050 -1.111 1.00 0.00 H new ATOM 738 N SER A 52 8.972 13.554 -3.323 1.00 0.00 N ATOM 739 CA SER A 52 8.673 13.684 -4.743 1.00 0.00 C ATOM 740 C SER A 52 7.326 13.038 -5.115 1.00 0.00 C ATOM 741 O SER A 52 6.958 13.032 -6.293 1.00 0.00 O ATOM 742 CB SER A 52 9.851 13.077 -5.513 1.00 0.00 C ATOM 743 OG SER A 52 9.907 13.410 -6.895 1.00 0.00 O ATOM 0 H SER A 52 9.552 12.743 -3.109 1.00 0.00 H new ATOM 0 HA SER A 52 8.558 14.734 -5.011 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.778 13.400 -5.040 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.806 11.992 -5.419 1.00 0.00 H new ATOM 0 HG SER A 52 9.001 13.409 -7.269 1.00 0.00 H new ATOM 749 N ALA A 53 6.567 12.501 -4.152 1.00 0.00 N ATOM 750 CA ALA A 53 5.230 11.979 -4.380 1.00 0.00 C ATOM 751 C ALA A 53 4.272 13.162 -4.453 1.00 0.00 C ATOM 752 O ALA A 53 3.424 13.360 -3.595 1.00 0.00 O ATOM 753 CB ALA A 53 4.842 10.964 -3.298 1.00 0.00 C ATOM 0 H ALA A 53 6.875 12.420 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 53 5.186 11.432 -5.322 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.837 10.590 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.547 10.133 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.866 11.447 -2.321 1.00 0.00 H new ATOM 759 N ASP A 54 4.415 13.976 -5.492 1.00 0.00 N ATOM 760 CA ASP A 54 3.630 15.186 -5.733 1.00 0.00 C ATOM 761 C ASP A 54 2.184 14.867 -6.134 1.00 0.00 C ATOM 762 O ASP A 54 1.380 15.763 -6.369 1.00 0.00 O ATOM 763 CB ASP A 54 4.375 16.006 -6.792 1.00 0.00 C ATOM 764 CG ASP A 54 4.192 17.511 -6.644 1.00 0.00 C ATOM 765 OD1 ASP A 54 4.859 18.069 -5.736 1.00 0.00 O ATOM 766 OD2 ASP A 54 3.528 18.126 -7.500 1.00 0.00 O ATOM 0 H ASP A 54 5.108 13.806 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 54 3.536 15.768 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.438 15.772 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.031 15.703 -7.781 1.00 0.00 H new ATOM 771 N TRP A 55 1.858 13.578 -6.237 1.00 0.00 N ATOM 772 CA TRP A 55 0.528 13.001 -6.352 1.00 0.00 C ATOM 773 C TRP A 55 -0.095 12.724 -4.971 1.00 0.00 C ATOM 774 O TRP A 55 -1.245 12.288 -4.915 1.00 0.00 O ATOM 775 CB TRP A 55 0.650 11.712 -7.181 1.00 0.00 C ATOM 776 CG TRP A 55 1.647 10.713 -6.658 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.967 10.679 -6.960 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.429 9.631 -5.703 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.579 9.648 -6.267 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.676 8.978 -5.466 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.312 9.162 -4.983 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.811 7.922 -4.549 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.445 8.128 -4.038 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.688 7.503 -3.818 1.00 0.00 C ATOM 0 H TRP A 55 2.579 12.857 -6.242 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.140 13.706 -6.847 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.329 11.235 -7.230 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.926 11.978 -8.201 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.467 11.354 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.569 9.414 -6.339 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.659 9.602 -5.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.767 7.439 -4.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.418 7.809 -3.473 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.776 6.708 -3.093 1.00 0.00 H new ATOM 795 N ILE A 56 0.638 12.953 -3.873 1.00 0.00 N ATOM 796 CA ILE A 56 0.143 12.992 -2.503 1.00 0.00 C ATOM 797 C ILE A 56 -0.019 14.465 -2.125 1.00 0.00 C ATOM 798 O ILE A 56 0.761 15.346 -2.504 1.00 0.00 O ATOM 799 CB ILE A 56 1.121 12.243 -1.543 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.291 10.756 -1.932 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.681 12.340 -0.071 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.248 9.966 -1.018 1.00 0.00 C ATOM 0 H ILE A 56 1.642 13.124 -3.926 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.817 12.482 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 56 2.082 12.745 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.313 10.275 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.658 10.700 -2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.392 11.804 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.647 13.387 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.309 11.898 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.309 8.933 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.239 10.419 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.873 9.986 0.005 1.00 0.00 H new ATOM 814 N GLU A 57 -1.056 14.696 -1.330 1.00 0.00 N ATOM 815 CA GLU A 57 -1.430 15.951 -0.710 1.00 0.00 C ATOM 816 C GLU A 57 -0.263 16.475 0.108 1.00 0.00 C ATOM 817 O GLU A 57 0.415 15.712 0.795 1.00 0.00 O ATOM 818 CB GLU A 57 -2.652 15.731 0.201 1.00 0.00 C ATOM 819 CG GLU A 57 -3.685 14.789 -0.391 1.00 0.00 C ATOM 820 CD GLU A 57 -5.012 14.775 0.374 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.622 15.857 0.563 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.429 13.688 0.842 1.00 0.00 O ATOM 0 H GLU A 57 -1.706 13.948 -1.086 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.686 16.679 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.315 15.333 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.123 16.693 0.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.875 15.075 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.275 13.779 -0.410 1.00 0.00 H new ATOM 829 N GLU A 58 -0.079 17.789 0.119 1.00 0.00 N ATOM 830 CA GLU A 58 0.930 18.414 0.948 1.00 0.00 C ATOM 831 C GLU A 58 0.857 17.987 2.414 1.00 0.00 C ATOM 832 O GLU A 58 1.901 17.643 2.983 1.00 0.00 O ATOM 833 CB GLU A 58 0.842 19.940 0.851 1.00 0.00 C ATOM 834 CG GLU A 58 2.261 20.500 0.784 1.00 0.00 C ATOM 835 CD GLU A 58 2.792 20.474 -0.654 1.00 0.00 C ATOM 836 OE1 GLU A 58 2.355 19.617 -1.459 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.668 21.298 -0.997 1.00 0.00 O ATOM 0 H GLU A 58 -0.623 18.443 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 58 1.890 18.072 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.277 20.232 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.314 20.345 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.271 21.523 1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.918 19.916 1.429 1.00 0.00 H new ATOM 844 N PRO A 59 -0.326 17.991 3.061 1.00 0.00 N ATOM 845 CA PRO A 59 -0.349 17.749 4.492 1.00 0.00 C ATOM 846 C PRO A 59 -0.142 16.256 4.790 1.00 0.00 C ATOM 847 O PRO A 59 0.327 15.880 5.863 1.00 0.00 O ATOM 848 CB PRO A 59 -1.707 18.270 4.959 1.00 0.00 C ATOM 849 CG PRO A 59 -2.619 18.071 3.748 1.00 0.00 C ATOM 850 CD PRO A 59 -1.685 18.197 2.542 1.00 0.00 C ATOM 0 HA PRO A 59 0.457 18.255 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.069 17.718 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.653 19.319 5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.106 17.096 3.773 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.409 18.821 3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.929 17.456 1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.780 19.177 2.075 1.00 0.00 H new ATOM 858 N VAL A 60 -0.444 15.402 3.813 1.00 0.00 N ATOM 859 CA VAL A 60 -0.300 13.967 3.887 1.00 0.00 C ATOM 860 C VAL A 60 1.169 13.606 3.672 1.00 0.00 C ATOM 861 O VAL A 60 1.686 12.773 4.416 1.00 0.00 O ATOM 862 CB VAL A 60 -1.246 13.339 2.853 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.113 11.826 2.761 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.706 13.641 3.207 1.00 0.00 C ATOM 0 H VAL A 60 -0.811 15.715 2.914 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.578 13.573 4.865 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.963 13.779 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.808 11.444 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.094 11.567 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.342 11.381 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.362 13.188 2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.934 13.230 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.862 14.720 3.219 1.00 0.00 H new ATOM 874 N ARG A 61 1.872 14.243 2.719 1.00 0.00 N ATOM 875 CA ARG A 61 3.286 13.961 2.459 1.00 0.00 C ATOM 876 C ARG A 61 4.062 14.041 3.766 1.00 0.00 C ATOM 877 O ARG A 61 4.690 13.073 4.196 1.00 0.00 O ATOM 878 CB ARG A 61 3.915 14.916 1.421 1.00 0.00 C ATOM 879 CG ARG A 61 3.626 14.579 -0.046 1.00 0.00 C ATOM 880 CD ARG A 61 4.634 15.243 -1.003 1.00 0.00 C ATOM 881 NE ARG A 61 4.253 16.605 -1.429 1.00 0.00 N ATOM 882 CZ ARG A 61 4.577 17.132 -2.621 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.485 16.572 -3.405 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.001 18.229 -3.078 1.00 0.00 N ATOM 0 H ARG A 61 1.475 14.962 2.114 1.00 0.00 H new ATOM 0 HA ARG A 61 3.342 12.958 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.559 15.927 1.620 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.995 14.924 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.656 13.498 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.617 14.904 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.608 15.285 -0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.747 14.616 -1.887 1.00 0.00 H new ATOM 0 HE ARG A 61 3.713 17.178 -0.781 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.958 15.718 -3.109 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.711 16.994 -4.306 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.288 18.701 -2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.269 18.605 -3.988 1.00 0.00 H new ATOM 898 N GLN A 62 3.977 15.194 4.420 1.00 0.00 N ATOM 899 CA GLN A 62 4.741 15.449 5.632 1.00 0.00 C ATOM 900 C GLN A 62 4.246 14.599 6.807 1.00 0.00 C ATOM 901 O GLN A 62 5.013 14.401 7.744 1.00 0.00 O ATOM 902 CB GLN A 62 4.738 16.945 5.966 1.00 0.00 C ATOM 903 CG GLN A 62 3.379 17.388 6.503 1.00 0.00 C ATOM 904 CD GLN A 62 3.150 18.878 6.317 1.00 0.00 C ATOM 905 OE1 GLN A 62 3.269 19.658 7.257 1.00 0.00 O ATOM 906 NE2 GLN A 62 2.849 19.321 5.107 1.00 0.00 N ATOM 0 H GLN A 62 3.383 15.970 4.128 1.00 0.00 H new ATOM 0 HA GLN A 62 5.773 15.150 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.511 17.157 6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.984 17.520 5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.590 16.834 5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.310 17.140 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.752 18.664 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.714 20.319 4.949 1.00 0.00 H new ATOM 915 N LYS A 63 3.008 14.077 6.787 1.00 0.00 N ATOM 916 CA LYS A 63 2.592 13.080 7.757 1.00 0.00 C ATOM 917 C LYS A 63 3.476 11.852 7.584 1.00 0.00 C ATOM 918 O LYS A 63 4.313 11.595 8.431 1.00 0.00 O ATOM 919 CB LYS A 63 1.101 12.744 7.612 1.00 0.00 C ATOM 920 CG LYS A 63 0.273 12.989 8.880 1.00 0.00 C ATOM 921 CD LYS A 63 -0.270 14.426 8.935 1.00 0.00 C ATOM 922 CE LYS A 63 -1.294 14.566 10.067 1.00 0.00 C ATOM 923 NZ LYS A 63 -2.233 15.684 9.836 1.00 0.00 N ATOM 0 H LYS A 63 2.290 14.334 6.110 1.00 0.00 H new ATOM 0 HA LYS A 63 2.712 13.470 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.684 13.338 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.003 11.697 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.558 12.284 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.889 12.799 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.551 15.126 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.733 14.683 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.855 13.637 10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.771 14.722 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.907 15.741 10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.702 16.576 9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.752 15.524 8.949 1.00 0.00 H new ATOM 937 N ILE A 64 3.366 11.126 6.474 1.00 0.00 N ATOM 938 CA ILE A 64 4.132 9.939 6.111 1.00 0.00 C ATOM 939 C ILE A 64 5.633 10.126 6.374 1.00 0.00 C ATOM 940 O ILE A 64 6.269 9.198 6.882 1.00 0.00 O ATOM 941 CB ILE A 64 3.747 9.558 4.659 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.369 8.850 4.574 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.774 8.604 4.048 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.163 9.727 4.317 1.00 0.00 C ATOM 0 H ILE A 64 2.688 11.371 5.752 1.00 0.00 H new ATOM 0 HA ILE A 64 3.881 9.090 6.747 1.00 0.00 H new ATOM 0 HB ILE A 64 3.711 10.501 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.420 8.103 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.205 8.313 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.478 8.354 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.753 9.084 4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.825 7.693 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.265 9.110 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.068 10.459 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.286 10.245 3.366 1.00 0.00 H new ATOM 956 N ALA A 65 6.179 11.317 6.113 1.00 0.00 N ATOM 957 CA ALA A 65 7.577 11.656 6.340 1.00 0.00 C ATOM 958 C ALA A 65 7.989 11.363 7.786 1.00 0.00 C ATOM 959 O ALA A 65 9.118 10.948 8.057 1.00 0.00 O ATOM 960 CB ALA A 65 7.769 13.149 6.036 1.00 0.00 C ATOM 0 H ALA A 65 5.640 12.092 5.726 1.00 0.00 H new ATOM 0 HA ALA A 65 8.204 11.049 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.811 13.423 6.200 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.501 13.346 4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.131 13.739 6.694 1.00 0.00 H new ATOM 966 N LEU A 66 7.086 11.649 8.716 1.00 0.00 N ATOM 967 CA LEU A 66 7.249 11.583 10.155 1.00 0.00 C ATOM 968 C LEU A 66 6.625 10.304 10.704 1.00 0.00 C ATOM 969 O LEU A 66 7.306 9.487 11.327 1.00 0.00 O ATOM 970 CB LEU A 66 6.575 12.823 10.765 1.00 0.00 C ATOM 971 CG LEU A 66 7.120 14.164 10.230 1.00 0.00 C ATOM 972 CD1 LEU A 66 6.241 15.310 10.721 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.586 14.383 10.597 1.00 0.00 C ATOM 0 H LEU A 66 6.148 11.957 8.458 1.00 0.00 H new ATOM 0 HA LEU A 66 8.307 11.568 10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.504 12.774 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.703 12.797 11.847 1.00 0.00 H new ATOM 0 HG LEU A 66 7.083 14.133 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.629 16.255 10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.222 15.166 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.243 15.329 11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.922 15.340 10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.693 14.385 11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.191 13.581 10.174 1.00 0.00 H new ATOM 985 N THR A 67 5.320 10.144 10.470 1.00 0.00 N ATOM 986 CA THR A 67 4.435 9.146 11.043 1.00 0.00 C ATOM 987 C THR A 67 4.910 7.739 10.686 1.00 0.00 C ATOM 988 O THR A 67 4.862 6.823 11.507 1.00 0.00 O ATOM 989 CB THR A 67 3.027 9.419 10.473 1.00 0.00 C ATOM 990 OG1 THR A 67 2.602 10.760 10.660 1.00 0.00 O ATOM 991 CG2 THR A 67 1.968 8.523 11.085 1.00 0.00 C ATOM 0 H THR A 67 4.824 10.759 9.825 1.00 0.00 H new ATOM 0 HA THR A 67 4.426 9.208 12.131 1.00 0.00 H new ATOM 0 HB THR A 67 3.128 9.210 9.408 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.124 11.353 10.080 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.997 8.757 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.214 7.480 10.885 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.931 8.687 12.162 1.00 0.00 H new ATOM 999 N HIS A 68 5.418 7.582 9.466 1.00 0.00 N ATOM 1000 CA HIS A 68 5.790 6.292 8.903 1.00 0.00 C ATOM 1001 C HIS A 68 7.285 6.259 8.642 1.00 0.00 C ATOM 1002 O HIS A 68 7.765 5.517 7.788 1.00 0.00 O ATOM 1003 CB HIS A 68 4.934 5.992 7.678 1.00 0.00 C ATOM 1004 CG HIS A 68 3.484 5.811 8.056 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.890 4.698 8.612 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.507 6.753 7.899 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.583 4.975 8.766 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.305 6.214 8.333 1.00 0.00 N ATOM 0 H HIS A 68 5.585 8.363 8.832 1.00 0.00 H new ATOM 0 HA HIS A 68 5.588 5.489 9.612 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.026 6.806 6.959 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.300 5.090 7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.647 7.748 7.504 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.856 4.293 9.182 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.392 6.669 8.325 1.00 0.00 H new ATOM 1016 N LYS A 69 8.055 7.038 9.405 1.00 0.00 N ATOM 1017 CA LYS A 69 9.503 7.047 9.283 1.00 0.00 C ATOM 1018 C LYS A 69 10.123 5.668 9.509 1.00 0.00 C ATOM 1019 O LYS A 69 11.179 5.365 8.960 1.00 0.00 O ATOM 1020 CB LYS A 69 10.060 8.114 10.217 1.00 0.00 C ATOM 1021 CG LYS A 69 11.586 8.063 10.254 1.00 0.00 C ATOM 1022 CD LYS A 69 12.151 9.183 11.108 1.00 0.00 C ATOM 1023 CE LYS A 69 12.171 10.537 10.400 1.00 0.00 C ATOM 1024 NZ LYS A 69 13.101 11.462 11.077 1.00 0.00 N ATOM 0 H LYS A 69 7.691 7.672 10.116 1.00 0.00 H new ATOM 0 HA LYS A 69 9.776 7.299 8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.733 9.100 9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.663 7.967 11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.911 7.101 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.980 8.140 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.560 9.267 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.166 8.924 11.408 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.472 10.406 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.168 10.963 10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.102 12.377 10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.797 11.601 12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.060 11.061 11.064 1.00 0.00 H new ATOM 1038 N ASN A 70 9.478 4.800 10.270 1.00 0.00 N ATOM 1039 CA ASN A 70 9.896 3.425 10.393 1.00 0.00 C ATOM 1040 C ASN A 70 9.853 2.652 9.056 1.00 0.00 C ATOM 1041 O ASN A 70 10.660 1.748 8.855 1.00 0.00 O ATOM 1042 CB ASN A 70 9.006 2.833 11.469 1.00 0.00 C ATOM 1043 CG ASN A 70 9.218 1.348 11.580 1.00 0.00 C ATOM 1044 OD1 ASN A 70 8.429 0.571 11.049 1.00 0.00 O ATOM 1045 ND2 ASN A 70 10.282 0.976 12.252 1.00 0.00 N ATOM 0 H ASN A 70 8.650 5.035 10.818 1.00 0.00 H new ATOM 0 HA ASN A 70 10.947 3.352 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.220 3.308 12.426 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.961 3.039 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.497 -0.015 12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.894 1.678 12.667 1.00 0.00 H new ATOM 1052 N LYS A 71 8.975 3.014 8.109 1.00 0.00 N ATOM 1053 CA LYS A 71 8.988 2.495 6.737 1.00 0.00 C ATOM 1054 C LYS A 71 10.053 3.142 5.864 1.00 0.00 C ATOM 1055 O LYS A 71 10.268 2.715 4.739 1.00 0.00 O ATOM 1056 CB LYS A 71 7.623 2.702 6.070 1.00 0.00 C ATOM 1057 CG LYS A 71 6.433 2.091 6.808 1.00 0.00 C ATOM 1058 CD LYS A 71 6.477 0.555 6.859 1.00 0.00 C ATOM 1059 CE LYS A 71 5.059 -0.026 6.954 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.018 -1.392 7.532 1.00 0.00 N ATOM 0 H LYS A 71 8.226 3.685 8.279 1.00 0.00 H new ATOM 0 HA LYS A 71 9.219 1.433 6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.450 3.773 5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.661 2.281 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.405 2.481 7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.510 2.406 6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.974 0.171 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.066 0.231 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.443 0.636 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.616 -0.048 5.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.033 -1.724 7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.580 -2.037 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.412 -1.374 8.494 1.00 0.00 H new ATOM 1074 N ILE A 72 10.677 4.226 6.296 1.00 0.00 N ATOM 1075 CA ILE A 72 11.649 4.912 5.456 1.00 0.00 C ATOM 1076 C ILE A 72 12.965 4.139 5.524 1.00 0.00 C ATOM 1077 O ILE A 72 13.382 3.712 6.609 1.00 0.00 O ATOM 1078 CB ILE A 72 11.746 6.376 5.903 1.00 0.00 C ATOM 1079 CG1 ILE A 72 10.420 7.083 5.568 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.949 7.133 5.319 1.00 0.00 C ATOM 1081 CD1 ILE A 72 10.362 8.517 6.081 1.00 0.00 C ATOM 0 H ILE A 72 10.531 4.647 7.213 1.00 0.00 H new ATOM 0 HA ILE A 72 11.353 4.938 4.407 1.00 0.00 H new ATOM 0 HB ILE A 72 11.917 6.379 6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.278 7.084 4.487 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.594 6.516 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.945 8.160 5.684 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.872 6.642 5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.885 7.134 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.403 8.961 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.473 8.520 7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.168 9.097 5.632 1.00 0.00 H new ATOM 1093 N ASN A 73 13.656 4.031 4.384 1.00 0.00 N ATOM 1094 CA ASN A 73 14.986 3.406 4.369 1.00 0.00 C ATOM 1095 C ASN A 73 15.956 4.242 5.201 1.00 0.00 C ATOM 1096 O ASN A 73 16.526 3.736 6.162 1.00 0.00 O ATOM 1097 CB ASN A 73 15.534 3.058 2.971 1.00 0.00 C ATOM 1098 CG ASN A 73 15.794 4.196 1.996 1.00 0.00 C ATOM 1099 OD1 ASN A 73 16.479 5.161 2.288 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.258 4.151 0.804 1.00 0.00 N ATOM 0 H ASN A 73 13.327 4.360 3.476 1.00 0.00 H new ATOM 0 HA ASN A 73 14.873 2.425 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.470 2.515 3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.832 2.370 2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.418 4.912 0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 73 14.680 3.355 0.534 1.00 0.00 H new ATOM 1107 N LYS A 74 16.061 5.526 4.866 1.00 0.00 N ATOM 1108 CA LYS A 74 16.685 6.656 5.543 1.00 0.00 C ATOM 1109 C LYS A 74 16.575 7.895 4.670 1.00 0.00 C ATOM 1110 O LYS A 74 16.415 8.983 5.217 1.00 0.00 O ATOM 1111 CB LYS A 74 18.165 6.396 5.903 1.00 0.00 C ATOM 1112 CG LYS A 74 18.414 6.800 7.367 1.00 0.00 C ATOM 1113 CD LYS A 74 17.718 5.812 8.315 1.00 0.00 C ATOM 1114 CE LYS A 74 17.429 6.409 9.694 1.00 0.00 C ATOM 1115 NZ LYS A 74 16.480 5.548 10.426 1.00 0.00 N ATOM 0 H LYS A 74 15.650 5.839 3.986 1.00 0.00 H new ATOM 0 HA LYS A 74 16.152 6.805 6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.406 5.343 5.759 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.817 6.966 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.485 6.817 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.040 7.809 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.782 5.483 7.864 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.344 4.927 8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.356 6.506 10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.015 7.412 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.288 5.960 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.591 5.477 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.891 4.600 10.543 1.00 0.00 H new ATOM 1129 N ALA A 75 16.561 7.734 3.342 1.00 0.00 N ATOM 1130 CA ALA A 75 16.603 8.846 2.399 1.00 0.00 C ATOM 1131 C ALA A 75 15.367 9.743 2.469 1.00 0.00 C ATOM 1132 O ALA A 75 15.382 10.847 1.940 1.00 0.00 O ATOM 1133 CB ALA A 75 16.746 8.285 0.983 1.00 0.00 C ATOM 0 H ALA A 75 16.520 6.819 2.893 1.00 0.00 H new ATOM 0 HA ALA A 75 17.457 9.469 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.779 9.107 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.667 7.706 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.895 7.642 0.759 1.00 0.00 H new ATOM 1139 N GLY A 76 14.288 9.281 3.100 1.00 0.00 N ATOM 1140 CA GLY A 76 12.958 9.849 2.947 1.00 0.00 C ATOM 1141 C GLY A 76 12.138 9.030 1.952 1.00 0.00 C ATOM 1142 O GLY A 76 10.913 9.154 1.908 1.00 0.00 O ATOM 0 H GLY A 76 14.319 8.488 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.452 9.872 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.034 10.880 2.603 1.00 0.00 H new ATOM 1146 N GLU A 77 12.769 8.143 1.178 1.00 0.00 N ATOM 1147 CA GLU A 77 12.048 7.140 0.420 1.00 0.00 C ATOM 1148 C GLU A 77 11.382 6.171 1.392 1.00 0.00 C ATOM 1149 O GLU A 77 12.031 5.636 2.296 1.00 0.00 O ATOM 1150 CB GLU A 77 12.960 6.417 -0.566 1.00 0.00 C ATOM 1151 CG GLU A 77 13.417 7.323 -1.714 1.00 0.00 C ATOM 1152 CD GLU A 77 13.544 6.532 -3.014 1.00 0.00 C ATOM 1153 OE1 GLU A 77 14.584 5.864 -3.182 1.00 0.00 O ATOM 1154 OE2 GLU A 77 12.577 6.494 -3.807 1.00 0.00 O ATOM 0 H GLU A 77 13.782 8.107 1.066 1.00 0.00 H new ATOM 0 HA GLU A 77 11.279 7.627 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.834 6.038 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.436 5.554 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.704 8.137 -1.847 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.376 7.777 -1.465 1.00 0.00 H new ATOM 1161 N LEU A 78 10.069 6.022 1.235 1.00 0.00 N ATOM 1162 CA LEU A 78 9.212 5.117 1.977 1.00 0.00 C ATOM 1163 C LEU A 78 9.314 3.762 1.290 1.00 0.00 C ATOM 1164 O LEU A 78 9.059 3.710 0.088 1.00 0.00 O ATOM 1165 CB LEU A 78 7.772 5.658 1.902 1.00 0.00 C ATOM 1166 CG LEU A 78 6.847 5.005 2.948 1.00 0.00 C ATOM 1167 CD1 LEU A 78 7.028 5.755 4.269 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.383 5.127 2.526 1.00 0.00 C ATOM 0 H LEU A 78 9.550 6.564 0.544 1.00 0.00 H new ATOM 0 HA LEU A 78 9.499 5.029 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.783 6.737 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.371 5.480 0.904 1.00 0.00 H new ATOM 0 HG LEU A 78 7.101 3.950 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.384 5.313 5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.068 5.684 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.762 6.803 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.747 4.660 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.118 6.180 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.238 4.628 1.568 1.00 0.00 H new ATOM 1180 N VAL A 79 9.731 2.715 1.999 1.00 0.00 N ATOM 1181 CA VAL A 79 9.903 1.369 1.474 1.00 0.00 C ATOM 1182 C VAL A 79 9.114 0.408 2.358 1.00 0.00 C ATOM 1183 O VAL A 79 9.424 0.245 3.539 1.00 0.00 O ATOM 1184 CB VAL A 79 11.401 0.998 1.384 1.00 0.00 C ATOM 1185 CG1 VAL A 79 11.575 -0.291 0.566 1.00 0.00 C ATOM 1186 CG2 VAL A 79 12.261 2.128 0.805 1.00 0.00 C ATOM 0 H VAL A 79 9.966 2.787 2.989 1.00 0.00 H new ATOM 0 HA VAL A 79 9.518 1.305 0.456 1.00 0.00 H new ATOM 0 HB VAL A 79 11.754 0.833 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.633 -0.545 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.033 -1.104 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.182 -0.140 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.303 1.809 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.917 2.368 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.175 3.011 1.438 1.00 0.00 H new ATOM 1196 N LEU A 80 8.106 -0.273 1.823 1.00 0.00 N ATOM 1197 CA LEU A 80 7.393 -1.327 2.540 1.00 0.00 C ATOM 1198 C LEU A 80 7.278 -2.558 1.641 1.00 0.00 C ATOM 1199 O LEU A 80 7.375 -2.456 0.413 1.00 0.00 O ATOM 1200 CB LEU A 80 6.067 -0.793 3.131 1.00 0.00 C ATOM 1201 CG LEU A 80 4.842 -0.649 2.212 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.731 0.071 2.988 1.00 0.00 C ATOM 1203 CD2 LEU A 80 5.109 0.201 0.973 1.00 0.00 C ATOM 0 H LEU A 80 7.759 -0.110 0.878 1.00 0.00 H new ATOM 0 HA LEU A 80 7.952 -1.656 3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.785 -1.451 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.271 0.187 3.563 1.00 0.00 H new ATOM 0 HG LEU A 80 4.574 -1.658 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.854 0.181 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.467 -0.512 3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.082 1.056 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.203 0.260 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.409 1.204 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.907 -0.253 0.385 1.00 0.00 H new ATOM 1215 N THR A 81 7.103 -3.733 2.246 1.00 0.00 N ATOM 1216 CA THR A 81 6.893 -4.973 1.517 1.00 0.00 C ATOM 1217 C THR A 81 5.725 -5.673 2.184 1.00 0.00 C ATOM 1218 O THR A 81 5.734 -5.796 3.414 1.00 0.00 O ATOM 1219 CB THR A 81 8.164 -5.859 1.448 1.00 0.00 C ATOM 1220 OG1 THR A 81 8.280 -6.792 2.507 1.00 0.00 O ATOM 1221 CG2 THR A 81 9.494 -5.103 1.423 1.00 0.00 C ATOM 0 H THR A 81 7.104 -3.846 3.260 1.00 0.00 H new ATOM 0 HA THR A 81 6.667 -4.763 0.471 1.00 0.00 H new ATOM 0 HB THR A 81 8.002 -6.359 0.493 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.173 -6.726 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.317 -5.816 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.526 -4.452 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.588 -4.502 2.327 1.00 0.00 H new ATOM 1229 N SER A 82 4.766 -6.158 1.411 1.00 0.00 N ATOM 1230 CA SER A 82 3.623 -6.876 1.931 1.00 0.00 C ATOM 1231 C SER A 82 3.343 -8.001 0.929 1.00 0.00 C ATOM 1232 O SER A 82 3.613 -7.847 -0.268 1.00 0.00 O ATOM 1233 CB SER A 82 2.514 -5.843 2.215 1.00 0.00 C ATOM 1234 OG SER A 82 1.454 -5.837 1.305 1.00 0.00 O ATOM 0 H SER A 82 4.763 -6.061 0.396 1.00 0.00 H new ATOM 0 HA SER A 82 3.752 -7.376 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.114 -6.029 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.962 -4.849 2.232 1.00 0.00 H new ATOM 0 HG SER A 82 0.937 -6.664 1.399 1.00 0.00 H new ATOM 1240 N GLU A 83 2.951 -9.179 1.417 1.00 0.00 N ATOM 1241 CA GLU A 83 2.831 -10.381 0.607 1.00 0.00 C ATOM 1242 C GLU A 83 2.080 -11.488 1.353 1.00 0.00 C ATOM 1243 O GLU A 83 1.818 -11.388 2.555 1.00 0.00 O ATOM 1244 CB GLU A 83 4.223 -10.858 0.106 1.00 0.00 C ATOM 1245 CG GLU A 83 5.421 -10.779 1.076 1.00 0.00 C ATOM 1246 CD GLU A 83 5.416 -11.693 2.296 1.00 0.00 C ATOM 1247 OE1 GLU A 83 4.480 -12.485 2.510 1.00 0.00 O ATOM 1248 OE2 GLU A 83 6.416 -11.678 3.054 1.00 0.00 O ATOM 0 H GLU A 83 2.706 -9.321 2.397 1.00 0.00 H new ATOM 0 HA GLU A 83 2.237 -10.133 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.123 -11.895 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.474 -10.275 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.326 -10.988 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.497 -9.751 1.430 1.00 0.00 H new ATOM 1255 N SER A 84 1.775 -12.563 0.620 1.00 0.00 N ATOM 1256 CA SER A 84 1.576 -13.949 1.043 1.00 0.00 C ATOM 1257 C SER A 84 1.363 -14.867 -0.174 1.00 0.00 C ATOM 1258 O SER A 84 1.533 -16.084 -0.065 1.00 0.00 O ATOM 1259 CB SER A 84 0.361 -14.077 1.971 1.00 0.00 C ATOM 1260 OG SER A 84 0.673 -13.597 3.265 1.00 0.00 O ATOM 0 H SER A 84 1.649 -12.472 -0.388 1.00 0.00 H new ATOM 0 HA SER A 84 2.475 -14.252 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.478 -13.515 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.049 -15.120 2.029 1.00 0.00 H new ATOM 0 HG SER A 84 0.798 -12.626 3.232 1.00 0.00 H new ATOM 1266 N SER A 85 0.963 -14.313 -1.321 1.00 0.00 N ATOM 1267 CA SER A 85 0.524 -15.069 -2.487 1.00 0.00 C ATOM 1268 C SER A 85 1.695 -15.387 -3.428 1.00 0.00 C ATOM 1269 O SER A 85 2.756 -14.791 -3.301 1.00 0.00 O ATOM 1270 CB SER A 85 -0.544 -14.242 -3.201 1.00 0.00 C ATOM 1271 OG SER A 85 -1.631 -13.918 -2.353 1.00 0.00 O ATOM 0 H SER A 85 0.936 -13.303 -1.464 1.00 0.00 H new ATOM 0 HA SER A 85 0.114 -16.028 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.096 -13.324 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.912 -14.796 -4.064 1.00 0.00 H new ATOM 0 HG SER A 85 -2.288 -13.388 -2.851 1.00 0.00 H new ATOM 1277 N ARG A 86 1.500 -16.254 -4.430 1.00 0.00 N ATOM 1278 CA ARG A 86 2.502 -16.590 -5.466 1.00 0.00 C ATOM 1279 C ARG A 86 2.595 -15.561 -6.611 1.00 0.00 C ATOM 1280 O ARG A 86 3.356 -15.747 -7.558 1.00 0.00 O ATOM 1281 CB ARG A 86 2.188 -17.997 -6.024 1.00 0.00 C ATOM 1282 CG ARG A 86 0.834 -18.121 -6.749 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.107 -19.136 -6.083 1.00 0.00 C ATOM 1284 NE ARG A 86 0.234 -20.537 -6.392 1.00 0.00 N ATOM 1285 CZ ARG A 86 -0.528 -21.596 -6.083 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -1.434 -21.518 -5.112 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -0.376 -22.740 -6.739 1.00 0.00 N ATOM 0 H ARG A 86 0.621 -16.757 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 86 3.480 -16.571 -4.985 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.981 -18.283 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.210 -18.711 -5.201 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.349 -17.145 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.007 -18.417 -7.784 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.079 -18.992 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.130 -18.939 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 86 1.114 -20.713 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.554 -20.647 -4.595 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.009 -22.329 -4.884 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.321 -22.814 -7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.957 -23.545 -6.502 1.00 0.00 H new ATOM 1301 N TYR A 87 1.781 -14.507 -6.577 1.00 0.00 N ATOM 1302 CA TYR A 87 1.636 -13.556 -7.678 1.00 0.00 C ATOM 1303 C TYR A 87 2.542 -12.328 -7.472 1.00 0.00 C ATOM 1304 O TYR A 87 3.291 -12.242 -6.494 1.00 0.00 O ATOM 1305 CB TYR A 87 0.161 -13.153 -7.775 1.00 0.00 C ATOM 1306 CG TYR A 87 -0.836 -14.286 -7.581 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -0.924 -15.336 -8.516 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -1.644 -14.314 -6.429 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -1.810 -16.409 -8.293 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -2.520 -15.384 -6.194 1.00 0.00 C ATOM 1311 CZ TYR A 87 -2.613 -16.435 -7.129 1.00 0.00 C ATOM 1312 OH TYR A 87 -3.455 -17.470 -6.864 1.00 0.00 O ATOM 0 H TYR A 87 1.195 -14.286 -5.772 1.00 0.00 H new ATOM 0 HA TYR A 87 1.948 -14.021 -8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.038 -12.384 -7.029 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.012 -12.702 -8.752 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.311 -15.319 -9.405 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.589 -13.503 -5.718 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.876 -17.212 -9.012 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.123 -15.403 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 87 -3.920 -17.305 -6.017 1.00 0.00 H new ATOM 1322 N GLN A 88 2.475 -11.350 -8.377 1.00 0.00 N ATOM 1323 CA GLN A 88 3.325 -10.164 -8.369 1.00 0.00 C ATOM 1324 C GLN A 88 2.423 -8.969 -8.065 1.00 0.00 C ATOM 1325 O GLN A 88 2.349 -8.556 -6.907 1.00 0.00 O ATOM 1326 CB GLN A 88 4.133 -10.057 -9.681 1.00 0.00 C ATOM 1327 CG GLN A 88 5.136 -11.209 -9.886 1.00 0.00 C ATOM 1328 CD GLN A 88 4.474 -12.566 -10.118 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.654 -12.730 -11.024 1.00 0.00 O ATOM 1330 NE2 GLN A 88 4.761 -13.553 -9.283 1.00 0.00 N ATOM 0 H GLN A 88 1.812 -11.363 -9.152 1.00 0.00 H new ATOM 0 HA GLN A 88 4.091 -10.210 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.441 -10.035 -10.523 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.674 -9.111 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.774 -10.976 -10.738 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.783 -11.275 -9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.441 -13.408 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.302 -14.458 -9.386 1.00 0.00 H new ATOM 1339 N PHE A 89 1.646 -8.501 -9.050 1.00 0.00 N ATOM 1340 CA PHE A 89 0.649 -7.439 -8.892 1.00 0.00 C ATOM 1341 C PHE A 89 -0.312 -7.759 -7.724 1.00 0.00 C ATOM 1342 O PHE A 89 -0.672 -6.852 -6.985 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.095 -7.227 -10.222 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.442 -6.534 -10.096 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.594 -5.361 -9.326 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -2.569 -7.123 -10.694 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.877 -4.843 -9.075 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -3.845 -6.588 -10.466 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.004 -5.467 -9.639 1.00 0.00 C ATOM 0 H PHE A 89 1.696 -8.861 -10.003 1.00 0.00 H new ATOM 0 HA PHE A 89 1.149 -6.505 -8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.539 -6.640 -10.887 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.244 -8.197 -10.697 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.723 -4.860 -8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.452 -7.988 -11.330 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.996 -3.969 -8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.709 -7.041 -10.929 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.992 -5.083 -9.435 1.00 0.00 H new ATOM 1359 N ARG A 90 -0.734 -9.012 -7.492 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.685 -9.308 -6.402 1.00 0.00 C ATOM 1361 C ARG A 90 -1.123 -8.953 -5.027 1.00 0.00 C ATOM 1362 O ARG A 90 -1.837 -8.416 -4.181 1.00 0.00 O ATOM 1363 CB ARG A 90 -2.087 -10.788 -6.409 1.00 0.00 C ATOM 1364 CG ARG A 90 -3.516 -11.057 -5.917 1.00 0.00 C ATOM 1365 CD ARG A 90 -3.759 -11.066 -4.397 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.868 -10.175 -4.007 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.148 -10.251 -4.400 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.581 -11.270 -5.143 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.991 -9.281 -4.065 1.00 0.00 N ATOM 0 H ARG A 90 -0.440 -9.825 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.561 -8.686 -6.586 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.985 -11.175 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.389 -11.345 -5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.170 -10.304 -6.357 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.831 -12.023 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.980 -12.083 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.849 -10.757 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.635 -9.416 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.935 -12.009 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.558 -11.311 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.663 -8.488 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.967 -9.329 -4.359 1.00 0.00 H new ATOM 1383 N ASN A 91 0.133 -9.318 -4.776 1.00 0.00 N ATOM 1384 CA ASN A 91 0.795 -9.009 -3.514 1.00 0.00 C ATOM 1385 C ASN A 91 1.005 -7.503 -3.459 1.00 0.00 C ATOM 1386 O ASN A 91 0.625 -6.857 -2.488 1.00 0.00 O ATOM 1387 CB ASN A 91 2.129 -9.752 -3.418 1.00 0.00 C ATOM 1388 CG ASN A 91 1.943 -11.215 -3.057 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.395 -11.565 -2.020 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.363 -12.122 -3.909 1.00 0.00 N ATOM 0 H ASN A 91 0.715 -9.832 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 91 0.184 -9.330 -2.671 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.654 -9.678 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.758 -9.271 -2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.232 -13.113 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.820 -11.836 -4.775 1.00 0.00 H new ATOM 1397 N LEU A 92 1.529 -6.939 -4.555 1.00 0.00 N ATOM 1398 CA LEU A 92 1.753 -5.512 -4.723 1.00 0.00 C ATOM 1399 C LEU A 92 0.493 -4.712 -4.383 1.00 0.00 C ATOM 1400 O LEU A 92 0.600 -3.657 -3.771 1.00 0.00 O ATOM 1401 CB LEU A 92 2.191 -5.244 -6.168 1.00 0.00 C ATOM 1402 CG LEU A 92 2.520 -3.773 -6.467 1.00 0.00 C ATOM 1403 CD1 LEU A 92 3.766 -3.339 -5.693 1.00 0.00 C ATOM 1404 CD2 LEU A 92 2.720 -3.615 -7.978 1.00 0.00 C ATOM 0 H LEU A 92 1.814 -7.485 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 92 2.537 -5.190 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.068 -5.852 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.399 -5.571 -6.842 1.00 0.00 H new ATOM 0 HG LEU A 92 1.699 -3.132 -6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.987 -2.295 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.588 -3.453 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.612 -3.959 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.954 -2.575 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.541 -4.253 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.807 -3.904 -8.498 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.689 -5.203 -4.771 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.974 -4.556 -4.570 1.00 0.00 C ATOM 1418 C ALA A 93 -2.256 -4.304 -3.092 1.00 0.00 C ATOM 1419 O ALA A 93 -2.850 -3.278 -2.776 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.099 -5.392 -5.190 1.00 0.00 C ATOM 0 H ALA A 93 -0.771 -6.099 -5.252 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.934 -3.588 -5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.054 -4.892 -5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.922 -5.503 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.121 -6.376 -4.722 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.826 -5.182 -2.180 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.933 -4.917 -0.762 1.00 0.00 C ATOM 1428 C GLU A 94 -1.021 -3.752 -0.382 1.00 0.00 C ATOM 1429 O GLU A 94 -1.440 -2.872 0.361 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.556 -6.170 0.029 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.037 -6.000 1.471 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.337 -6.849 2.533 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -0.355 -7.574 2.238 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -1.737 -6.667 3.707 1.00 0.00 O ATOM 0 H GLU A 94 -1.402 -6.081 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.962 -4.648 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.012 -7.052 -0.420 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.477 -6.322 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.925 -4.951 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.103 -6.226 1.503 1.00 0.00 H new ATOM 1441 N CYS A 95 0.205 -3.709 -0.902 1.00 0.00 N ATOM 1442 CA CYS A 95 1.106 -2.583 -0.707 1.00 0.00 C ATOM 1443 C CYS A 95 0.436 -1.278 -1.171 1.00 0.00 C ATOM 1444 O CYS A 95 0.483 -0.285 -0.442 1.00 0.00 O ATOM 1445 CB CYS A 95 2.446 -2.868 -1.406 1.00 0.00 C ATOM 1446 SG CYS A 95 3.742 -3.225 -0.190 1.00 0.00 S ATOM 0 H CYS A 95 0.599 -4.458 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 95 1.324 -2.451 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.335 -3.714 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.736 -2.009 -2.012 1.00 0.00 H new ATOM 0 HG CYS A 95 4.861 -3.464 -0.806 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.232 -1.277 -2.334 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.992 -0.123 -2.836 1.00 0.00 C ATOM 1454 C LEU A 96 -2.148 0.218 -1.901 1.00 0.00 C ATOM 1455 O LEU A 96 -2.390 1.393 -1.630 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.567 -0.341 -4.249 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.594 -0.875 -5.308 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.309 -0.973 -6.660 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.696 -0.052 -5.414 1.00 0.00 C ATOM 0 H LEU A 96 -0.260 -2.084 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.275 0.697 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.404 -1.035 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.970 0.608 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.279 -1.869 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.616 -1.352 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.158 -1.651 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.662 0.015 -6.958 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.340 -0.483 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.451 0.976 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.215 -0.064 -4.455 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.861 -0.797 -1.412 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.937 -0.627 -0.454 1.00 0.00 C ATOM 1473 C GLN A 97 -3.398 0.049 0.805 1.00 0.00 C ATOM 1474 O GLN A 97 -4.055 0.952 1.313 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.581 -1.988 -0.136 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.936 -1.861 0.571 1.00 0.00 C ATOM 1477 CD GLN A 97 -7.031 -1.332 -0.354 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.261 -1.871 -1.437 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.716 -0.274 0.036 1.00 0.00 N ATOM 0 H GLN A 97 -2.700 -1.769 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.711 0.013 -0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.712 -2.547 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.903 -2.566 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -6.232 -2.835 0.959 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.834 -1.194 1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.514 0.161 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.448 0.109 -0.562 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.199 -0.322 1.288 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.664 0.337 2.470 1.00 0.00 C ATOM 1490 C LYS A 98 -1.342 1.759 2.111 1.00 0.00 C ATOM 1491 O LYS A 98 -1.816 2.622 2.815 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.458 -0.302 3.144 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.587 -1.807 3.402 1.00 0.00 C ATOM 1494 CD LYS A 98 0.769 -2.512 3.260 1.00 0.00 C ATOM 1495 CE LYS A 98 1.104 -3.374 4.463 1.00 0.00 C ATOM 1496 NZ LYS A 98 1.124 -2.652 5.756 1.00 0.00 N ATOM 0 H LYS A 98 -1.607 -1.050 0.888 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.451 0.245 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.421 -0.128 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.282 0.201 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.984 -1.974 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.300 -2.239 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.760 -3.132 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.551 -1.765 3.123 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.377 -4.184 4.526 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.080 -3.833 4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.701 -3.182 6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.532 -1.705 5.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.153 -2.561 6.118 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.574 2.026 1.052 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.286 3.377 0.586 1.00 0.00 C ATOM 1512 C ILE A 99 -1.540 4.257 0.648 1.00 0.00 C ATOM 1513 O ILE A 99 -1.471 5.347 1.207 1.00 0.00 O ATOM 1514 CB ILE A 99 0.363 3.293 -0.814 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.800 2.760 -0.652 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.353 4.630 -1.570 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.351 2.119 -1.927 1.00 0.00 C ATOM 0 H ILE A 99 -0.131 1.299 0.490 1.00 0.00 H new ATOM 0 HA ILE A 99 0.432 3.868 1.244 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.232 2.613 -1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.453 3.580 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.820 2.026 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.823 4.500 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.676 4.964 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.904 5.376 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.366 1.764 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.719 1.279 -2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.362 2.856 -2.730 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.680 3.780 0.142 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.924 4.530 0.138 1.00 0.00 C ATOM 1531 C ARG A 100 -4.403 4.771 1.551 1.00 0.00 C ATOM 1532 O ARG A 100 -4.682 5.905 1.915 1.00 0.00 O ATOM 1533 CB ARG A 100 -4.979 3.753 -0.643 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.683 3.838 -2.144 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.599 2.966 -2.991 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.987 3.077 -2.532 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.965 2.227 -2.828 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -7.923 1.540 -3.967 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -8.958 2.080 -1.962 1.00 0.00 N ATOM 0 H ARG A 100 -2.759 2.854 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.754 5.496 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.987 2.711 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.970 4.158 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.779 4.874 -2.468 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.648 3.544 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.531 3.266 -4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.274 1.927 -2.936 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.221 3.872 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.142 1.666 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.672 0.887 -4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -8.959 2.613 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.721 1.434 -2.165 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.482 3.712 2.342 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.941 3.751 3.717 1.00 0.00 C ATOM 1555 C ASP A 101 -4.061 4.685 4.565 1.00 0.00 C ATOM 1556 O ASP A 101 -4.556 5.468 5.369 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.913 2.325 4.275 1.00 0.00 C ATOM 1558 CG ASP A 101 -6.129 1.453 3.936 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -6.805 1.627 2.894 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.364 0.520 4.744 1.00 0.00 O ATOM 0 H ASP A 101 -4.220 2.776 2.033 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.957 4.144 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.017 1.827 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.820 2.381 5.360 1.00 0.00 H new ATOM 1565 N MET A 102 -2.746 4.634 4.354 1.00 0.00 N ATOM 1566 CA MET A 102 -1.712 5.438 4.992 1.00 0.00 C ATOM 1567 C MET A 102 -1.889 6.914 4.631 1.00 0.00 C ATOM 1568 O MET A 102 -1.610 7.796 5.439 1.00 0.00 O ATOM 1569 CB MET A 102 -0.313 4.966 4.539 1.00 0.00 C ATOM 1570 CG MET A 102 0.018 3.508 4.935 1.00 0.00 C ATOM 1571 SD MET A 102 1.526 3.252 5.903 1.00 0.00 S ATOM 1572 CE MET A 102 2.708 3.176 4.541 1.00 0.00 C ATOM 0 H MET A 102 -2.349 3.979 3.681 1.00 0.00 H new ATOM 0 HA MET A 102 -1.802 5.318 6.072 1.00 0.00 H new ATOM 0 HB2 MET A 102 -0.241 5.063 3.456 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.439 5.628 4.968 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.823 3.110 5.503 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.095 2.916 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.685 2.880 4.923 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.369 2.446 3.806 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.784 4.156 4.070 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.315 7.192 3.399 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.594 8.529 2.905 1.00 0.00 C ATOM 1584 C ILE A 103 -3.898 9.009 3.532 1.00 0.00 C ATOM 1585 O ILE A 103 -3.953 10.129 4.030 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.585 8.489 1.358 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.112 8.585 0.896 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.497 9.527 0.677 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.877 8.011 -0.501 1.00 0.00 C ATOM 0 H ILE A 103 -2.479 6.467 2.700 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.836 9.258 3.191 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.024 7.545 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.802 9.630 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.480 8.056 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.423 9.422 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.529 9.364 0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.185 10.531 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.176 8.110 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.156 6.957 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.483 8.555 -1.225 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.922 8.158 3.547 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.231 8.441 4.090 1.00 0.00 C ATOM 1603 C ALA A 104 -6.106 8.837 5.558 1.00 0.00 C ATOM 1604 O ALA A 104 -6.630 9.876 5.957 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.115 7.204 3.910 1.00 0.00 C ATOM 0 H ALA A 104 -4.850 7.216 3.163 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.692 9.277 3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.107 7.403 4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.198 6.967 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.671 6.359 4.437 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.410 8.034 6.362 1.00 0.00 N ATOM 1612 CA GLU A 105 -5.280 8.273 7.793 1.00 0.00 C ATOM 1613 C GLU A 105 -4.485 9.555 8.060 1.00 0.00 C ATOM 1614 O GLU A 105 -4.814 10.319 8.964 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.748 7.016 8.495 1.00 0.00 C ATOM 1616 CG GLU A 105 -3.242 6.790 8.366 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.794 5.499 9.064 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -3.415 4.431 8.856 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -1.870 5.531 9.906 1.00 0.00 O ATOM 0 H GLU A 105 -4.921 7.200 6.036 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.259 8.457 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.002 7.075 9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.266 6.146 8.091 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.971 6.745 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.710 7.638 8.796 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.485 9.840 7.227 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.705 11.062 7.301 1.00 0.00 C ATOM 1628 C ALA A 106 -3.480 12.310 6.842 1.00 0.00 C ATOM 1629 O ALA A 106 -3.057 13.428 7.146 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.449 10.852 6.457 1.00 0.00 C ATOM 0 H ALA A 106 -3.195 9.216 6.474 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.452 11.257 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.835 11.752 6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.880 10.011 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.734 10.643 5.426 1.00 0.00 H new ATOM 1636 N SER A 107 -4.581 12.141 6.105 1.00 0.00 N ATOM 1637 CA SER A 107 -5.390 13.215 5.533 1.00 0.00 C ATOM 1638 C SER A 107 -6.580 13.579 6.430 1.00 0.00 C ATOM 1639 O SER A 107 -7.348 14.482 6.097 1.00 0.00 O ATOM 1640 CB SER A 107 -5.859 12.779 4.136 1.00 0.00 C ATOM 1641 OG SER A 107 -6.146 13.897 3.315 1.00 0.00 O ATOM 0 H SER A 107 -4.946 11.215 5.883 1.00 0.00 H new ATOM 0 HA SER A 107 -4.782 14.116 5.456 1.00 0.00 H new ATOM 0 HB2 SER A 107 -5.088 12.169 3.666 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.748 12.155 4.227 1.00 0.00 H new ATOM 0 HG SER A 107 -6.093 13.633 2.373 1.00 0.00 H new ATOM 1647 N GLY A 108 -6.759 12.890 7.556 1.00 0.00 N ATOM 1648 CA GLY A 108 -7.894 13.068 8.439 1.00 0.00 C ATOM 1649 C GLY A 108 -7.488 12.788 9.877 1.00 0.00 C ATOM 1650 O GLY A 108 -6.294 12.759 10.187 1.00 0.00 O ATOM 0 H GLY A 108 -6.102 12.180 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.276 14.085 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.702 12.398 8.144 1.00 0.00 H new ATOM 1654 N PRO A 109 -8.458 12.615 10.779 1.00 0.00 N ATOM 1655 CA PRO A 109 -8.220 12.299 12.182 1.00 0.00 C ATOM 1656 C PRO A 109 -7.900 10.797 12.341 1.00 0.00 C ATOM 1657 O PRO A 109 -8.576 10.091 13.096 1.00 0.00 O ATOM 1658 CB PRO A 109 -9.518 12.756 12.854 1.00 0.00 C ATOM 1659 CG PRO A 109 -10.589 12.410 11.818 1.00 0.00 C ATOM 1660 CD PRO A 109 -9.884 12.728 10.503 1.00 0.00 C ATOM 0 HA PRO A 109 -7.358 12.790 12.633 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.688 12.237 13.797 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.502 13.823 13.076 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.888 11.363 11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -11.491 13.007 11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.187 12.034 9.719 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.137 13.730 10.156 1.00 0.00 H new ATOM 1668 N SER A 110 -6.894 10.315 11.602 1.00 0.00 N ATOM 1669 CA SER A 110 -6.464 8.927 11.433 1.00 0.00 C ATOM 1670 C SER A 110 -7.628 7.944 11.180 1.00 0.00 C ATOM 1671 O SER A 110 -8.767 8.350 10.914 1.00 0.00 O ATOM 1672 CB SER A 110 -5.472 8.540 12.542 1.00 0.00 C ATOM 1673 OG SER A 110 -4.454 9.527 12.678 1.00 0.00 O ATOM 0 H SER A 110 -6.308 10.948 11.058 1.00 0.00 H new ATOM 0 HA SER A 110 -5.906 8.843 10.500 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.003 8.426 13.487 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.021 7.575 12.312 1.00 0.00 H new ATOM 0 HG SER A 110 -3.835 9.262 13.390 1.00 0.00 H new ATOM 1679 N SER A 111 -7.356 6.639 11.084 1.00 0.00 N ATOM 1680 CA SER A 111 -8.352 5.648 10.679 1.00 0.00 C ATOM 1681 C SER A 111 -7.993 4.294 11.305 1.00 0.00 C ATOM 1682 O SER A 111 -7.399 3.420 10.658 1.00 0.00 O ATOM 1683 CB SER A 111 -8.451 5.612 9.139 1.00 0.00 C ATOM 1684 OG SER A 111 -8.734 6.901 8.599 1.00 0.00 O ATOM 0 H SER A 111 -6.438 6.242 11.285 1.00 0.00 H new ATOM 0 HA SER A 111 -9.344 5.914 11.044 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.515 5.240 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.232 4.913 8.841 1.00 0.00 H new ATOM 0 HG SER A 111 -8.788 6.842 7.622 1.00 0.00 H new ATOM 1690 N GLY A 112 -8.274 4.141 12.598 1.00 0.00 N ATOM 1691 CA GLY A 112 -7.859 2.995 13.386 1.00 0.00 C ATOM 1692 C GLY A 112 -8.077 3.323 14.836 1.00 0.00 C ATOM 1693 O GLY A 112 -9.149 2.986 15.375 1.00 0.00 O ATOM 0 H GLY A 112 -8.807 4.827 13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.433 2.112 13.105 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.810 2.766 13.201 1.00 0.00 H new TER 1697 GLY A 112