USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 566 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 43 THR OG1 : rot 46:sc= -3.46! USER MOD Set 1.2: A 61 MET CE :methyl -174:sc= -10.4! (180deg=-6.67!) USER MOD Set 2.1: A 31 ASN : amide:sc= -1.61 K(o=-4.4,f=-3.6!) USER MOD Set 2.2: A 48 ASN : amide:sc= -2.75 K(o=-4.4,f=-0.85) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -3.95! C(o=-4!,f=-6.2!) USER MOD Single : A 6 HIS : no HE2:sc= -9.39! C(o=-9.4!,f=-9.6!) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= -0.118 (180deg=-1.13!) USER MOD Single : A 13 ASN : amide:sc= -0.857 K(o=-0.86,f=-0.045) USER MOD Single : A 14 MET CE :methyl -143:sc= -6.98! (180deg=-11.8!) USER MOD Single : A 15 THR OG1 : rot 110:sc= 0.173 USER MOD Single : A 17 HIS : no HE2:sc= -7.98! C(o=-8!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= -17.6! C(o=-18!,f=-23!) USER MOD Single : A 29 MET CE :methyl 176:sc= 0 (180deg=-0.0313) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 0:sc= -3.53! USER MOD Single : A 36 CYS SG : rot 52:sc= -4.94! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc= -0.126 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -2.646 7.898 6.017 1.00 0.00 N ATOM 2 CA PRO A 1 -2.544 7.278 4.660 1.00 0.00 C ATOM 3 C PRO A 1 -3.192 5.893 4.680 1.00 0.00 C ATOM 4 O PRO A 1 -3.835 5.481 3.734 1.00 0.00 O ATOM 5 CB PRO A 1 -1.064 7.144 4.306 1.00 0.00 C ATOM 6 CG PRO A 1 -0.265 7.630 5.508 1.00 0.00 C ATOM 7 CD PRO A 1 -1.268 8.081 6.569 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.198 7.304 6.636 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.125 8.796 5.960 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.054 7.898 3.923 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.817 6.108 4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.825 7.735 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 1 0.371 6.833 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 1 0.392 8.453 5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.144 7.498 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.099 9.125 6.832 1.00 0.00 H new ATOM 17 N ILE A 2 -3.024 5.170 5.752 1.00 0.00 N ATOM 18 CA ILE A 2 -3.621 3.809 5.843 1.00 0.00 C ATOM 19 C ILE A 2 -5.110 3.912 6.171 1.00 0.00 C ATOM 20 O ILE A 2 -5.935 3.276 5.553 1.00 0.00 O ATOM 21 CB ILE A 2 -2.911 3.022 6.946 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.407 3.293 6.875 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.168 1.527 6.758 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.917 3.073 5.442 1.00 0.00 C ATOM 0 H ILE A 2 -2.496 5.465 6.573 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.502 3.299 4.887 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.294 3.335 7.918 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.195 4.315 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.875 2.632 7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.661 0.969 7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.239 1.333 6.808 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.787 1.212 5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.155 3.266 5.390 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.115 2.044 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.441 3.753 4.770 1.00 0.00 H new ATOM 36 N SER A 3 -5.460 4.700 7.146 1.00 0.00 N ATOM 37 CA SER A 3 -6.895 4.830 7.527 1.00 0.00 C ATOM 38 C SER A 3 -7.771 5.029 6.284 1.00 0.00 C ATOM 39 O SER A 3 -8.755 4.345 6.101 1.00 0.00 O ATOM 40 CB SER A 3 -7.060 6.027 8.458 1.00 0.00 C ATOM 41 OG SER A 3 -8.390 6.520 8.360 1.00 0.00 O ATOM 0 H SER A 3 -4.813 5.262 7.699 1.00 0.00 H new ATOM 0 HA SER A 3 -7.208 3.916 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.843 5.735 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.349 6.810 8.192 1.00 0.00 H new ATOM 0 HG SER A 3 -8.499 7.288 8.959 1.00 0.00 H new ATOM 47 N GLN A 4 -7.437 5.964 5.437 1.00 0.00 N ATOM 48 CA GLN A 4 -8.277 6.198 4.224 1.00 0.00 C ATOM 49 C GLN A 4 -8.520 4.880 3.485 1.00 0.00 C ATOM 50 O GLN A 4 -9.649 4.477 3.272 1.00 0.00 O ATOM 51 CB GLN A 4 -7.581 7.188 3.286 1.00 0.00 C ATOM 52 CG GLN A 4 -6.078 6.907 3.246 1.00 0.00 C ATOM 53 CD GLN A 4 -5.314 8.194 3.560 1.00 0.00 C ATOM 54 OE1 GLN A 4 -5.049 8.494 4.706 1.00 0.00 O ATOM 55 NE2 GLN A 4 -4.946 8.973 2.580 1.00 0.00 N ATOM 0 H GLN A 4 -6.624 6.573 5.530 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.234 6.612 4.540 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.001 7.107 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.759 8.209 3.625 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -5.822 6.133 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -5.793 6.532 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.169 8.721 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.436 9.834 2.777 1.00 0.00 H new ATOM 64 N VAL A 5 -7.481 4.200 3.084 1.00 0.00 N ATOM 65 CA VAL A 5 -7.687 2.914 2.359 1.00 0.00 C ATOM 66 C VAL A 5 -8.573 2.012 3.197 1.00 0.00 C ATOM 67 O VAL A 5 -9.615 1.597 2.769 1.00 0.00 O ATOM 68 CB VAL A 5 -6.349 2.212 2.121 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.553 0.986 1.233 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.359 3.170 1.457 1.00 0.00 C ATOM 0 H VAL A 5 -6.509 4.475 3.225 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.154 3.122 1.396 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.945 1.896 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.595 0.492 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.239 0.294 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.970 1.296 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.411 2.658 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.761 3.503 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.198 4.033 2.103 1.00 0.00 H new ATOM 80 N HIS A 6 -8.176 1.705 4.393 1.00 0.00 N ATOM 81 CA HIS A 6 -9.024 0.837 5.241 1.00 0.00 C ATOM 82 C HIS A 6 -10.481 1.275 5.094 1.00 0.00 C ATOM 83 O HIS A 6 -11.393 0.471 5.109 1.00 0.00 O ATOM 84 CB HIS A 6 -8.588 1.001 6.692 1.00 0.00 C ATOM 85 CG HIS A 6 -7.304 0.253 6.913 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.268 -1.123 7.071 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.000 0.677 6.990 1.00 0.00 C ATOM 88 CE1 HIS A 6 -5.982 -1.478 7.232 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.166 -0.419 7.192 1.00 0.00 N ATOM 0 H HIS A 6 -7.303 2.017 4.819 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.924 -0.206 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.452 2.057 6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.362 0.624 7.361 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.071 -1.752 7.066 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.672 1.703 6.907 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.648 -2.495 7.376 1.00 0.00 H new ATOM 97 N GLU A 7 -10.694 2.553 4.933 1.00 0.00 N ATOM 98 CA GLU A 7 -12.081 3.072 4.782 1.00 0.00 C ATOM 99 C GLU A 7 -12.656 2.675 3.421 1.00 0.00 C ATOM 100 O GLU A 7 -13.527 1.850 3.335 1.00 0.00 O ATOM 101 CB GLU A 7 -12.070 4.597 4.905 1.00 0.00 C ATOM 102 CG GLU A 7 -12.513 4.999 6.314 1.00 0.00 C ATOM 103 CD GLU A 7 -12.191 6.476 6.548 1.00 0.00 C ATOM 104 OE1 GLU A 7 -12.009 7.184 5.572 1.00 0.00 O ATOM 105 OE2 GLU A 7 -12.133 6.873 7.700 1.00 0.00 O ATOM 0 H GLU A 7 -9.962 3.263 4.900 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.705 2.642 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.070 4.981 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.737 5.037 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.582 4.826 6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.005 4.383 7.056 1.00 0.00 H new ATOM 112 N ILE A 8 -12.193 3.262 2.360 1.00 0.00 N ATOM 113 CA ILE A 8 -12.758 2.902 1.013 1.00 0.00 C ATOM 114 C ILE A 8 -12.663 1.381 0.799 1.00 0.00 C ATOM 115 O ILE A 8 -13.609 0.728 0.390 1.00 0.00 O ATOM 116 CB ILE A 8 -12.003 3.667 -0.118 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.655 2.732 -1.299 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.717 4.307 0.413 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.358 1.949 -1.020 1.00 0.00 C ATOM 0 H ILE A 8 -11.457 3.968 2.353 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.807 3.197 0.977 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.674 4.449 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.475 2.035 -1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.541 3.319 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.211 4.833 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.963 5.012 1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.060 3.531 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.136 1.299 -1.866 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.535 2.649 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.484 1.345 -0.122 1.00 0.00 H new ATOM 131 N GLY A 9 -11.520 0.831 1.055 1.00 0.00 N ATOM 132 CA GLY A 9 -11.298 -0.619 0.857 1.00 0.00 C ATOM 133 C GLY A 9 -12.362 -1.440 1.585 1.00 0.00 C ATOM 134 O GLY A 9 -13.065 -2.224 0.981 1.00 0.00 O ATOM 0 H GLY A 9 -10.707 1.339 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.319 -0.852 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.309 -0.893 1.223 1.00 0.00 H new ATOM 138 N ILE A 10 -12.477 -1.301 2.877 1.00 0.00 N ATOM 139 CA ILE A 10 -13.492 -2.121 3.603 1.00 0.00 C ATOM 140 C ILE A 10 -14.910 -1.698 3.190 1.00 0.00 C ATOM 141 O ILE A 10 -15.734 -2.512 2.833 1.00 0.00 O ATOM 142 CB ILE A 10 -13.284 -1.960 5.120 1.00 0.00 C ATOM 143 CG1 ILE A 10 -12.670 -3.245 5.649 1.00 0.00 C ATOM 144 CG2 ILE A 10 -14.607 -1.698 5.854 1.00 0.00 C ATOM 145 CD1 ILE A 10 -13.587 -4.416 5.286 1.00 0.00 C ATOM 0 H ILE A 10 -11.924 -0.668 3.454 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.370 -3.172 3.342 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.633 -1.103 5.295 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.679 -3.394 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.544 -3.186 6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -14.416 -1.591 6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.060 -0.783 5.473 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.286 -2.535 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.157 -5.345 5.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -14.568 -4.263 5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.690 -4.475 4.203 1.00 0.00 H new ATOM 157 N LYS A 11 -15.195 -0.438 3.267 1.00 0.00 N ATOM 158 CA LYS A 11 -16.550 0.063 2.908 1.00 0.00 C ATOM 159 C LYS A 11 -16.935 -0.362 1.489 1.00 0.00 C ATOM 160 O LYS A 11 -18.097 -0.349 1.132 1.00 0.00 O ATOM 161 CB LYS A 11 -16.547 1.589 2.980 1.00 0.00 C ATOM 162 CG LYS A 11 -17.583 2.063 4.000 1.00 0.00 C ATOM 163 CD LYS A 11 -18.366 3.241 3.419 1.00 0.00 C ATOM 164 CE LYS A 11 -19.865 2.946 3.492 1.00 0.00 C ATOM 165 NZ LYS A 11 -20.231 2.566 4.886 1.00 0.00 N ATOM 0 H LYS A 11 -14.539 0.283 3.568 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.273 -0.358 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.557 1.947 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.771 2.009 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.263 1.248 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.089 2.361 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.137 4.152 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.069 3.414 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.434 3.822 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.121 2.140 2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.175 2.940 5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.240 1.530 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.534 2.963 5.548 1.00 0.00 H new ATOM 179 N ARG A 12 -15.989 -0.721 0.662 1.00 0.00 N ATOM 180 CA ARG A 12 -16.369 -1.115 -0.730 1.00 0.00 C ATOM 181 C ARG A 12 -15.908 -2.546 -1.047 1.00 0.00 C ATOM 182 O ARG A 12 -15.764 -2.921 -2.193 1.00 0.00 O ATOM 183 CB ARG A 12 -15.790 -0.100 -1.736 1.00 0.00 C ATOM 184 CG ARG A 12 -14.426 -0.558 -2.263 1.00 0.00 C ATOM 185 CD ARG A 12 -14.602 -1.173 -3.655 1.00 0.00 C ATOM 186 NE ARG A 12 -13.810 -0.401 -4.659 1.00 0.00 N ATOM 187 CZ ARG A 12 -13.712 0.899 -4.563 1.00 0.00 C ATOM 188 NH1 ARG A 12 -14.723 1.600 -4.132 1.00 0.00 N ATOM 189 NH2 ARG A 12 -12.601 1.495 -4.903 1.00 0.00 N ATOM 0 H ARG A 12 -14.993 -0.759 0.880 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.456 -1.104 -0.814 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -16.481 0.025 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.689 0.874 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.739 0.287 -2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.987 -1.288 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.277 -2.213 -3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.656 -1.171 -3.932 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.344 -0.890 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.592 1.134 -3.869 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.645 2.614 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.811 0.946 -5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.523 2.509 -4.829 1.00 0.00 H new ATOM 203 N ASN A 13 -15.707 -3.356 -0.042 1.00 0.00 N ATOM 204 CA ASN A 13 -15.294 -4.773 -0.281 1.00 0.00 C ATOM 205 C ASN A 13 -13.804 -4.863 -0.633 1.00 0.00 C ATOM 206 O ASN A 13 -13.235 -5.937 -0.658 1.00 0.00 O ATOM 207 CB ASN A 13 -16.119 -5.346 -1.435 1.00 0.00 C ATOM 208 CG ASN A 13 -16.401 -6.827 -1.178 1.00 0.00 C ATOM 209 OD1 ASN A 13 -17.331 -7.383 -1.728 1.00 0.00 O ATOM 210 ND2 ASN A 13 -15.632 -7.493 -0.362 1.00 0.00 N ATOM 0 H ASN A 13 -15.811 -3.098 0.939 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.467 -5.343 0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.056 -4.798 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.581 -5.226 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -15.811 -8.481 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.852 -7.025 0.099 1.00 0.00 H new ATOM 217 N MET A 14 -13.166 -3.761 -0.910 1.00 0.00 N ATOM 218 CA MET A 14 -11.722 -3.813 -1.263 1.00 0.00 C ATOM 219 C MET A 14 -10.887 -3.975 0.011 1.00 0.00 C ATOM 220 O MET A 14 -10.547 -3.015 0.667 1.00 0.00 O ATOM 221 CB MET A 14 -11.331 -2.519 -1.979 1.00 0.00 C ATOM 222 CG MET A 14 -11.437 -2.722 -3.492 1.00 0.00 C ATOM 223 SD MET A 14 -10.531 -1.406 -4.341 1.00 0.00 S ATOM 224 CE MET A 14 -10.116 -2.343 -5.832 1.00 0.00 C ATOM 0 H MET A 14 -13.581 -2.829 -0.907 1.00 0.00 H new ATOM 0 HA MET A 14 -11.536 -4.662 -1.921 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.984 -1.705 -1.664 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.314 -2.235 -1.710 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.031 -3.695 -3.769 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.483 -2.714 -3.798 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.117 -2.067 -6.169 1.00 0.00 H new ATOM 0 HE2 MET A 14 -10.142 -3.410 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 14 -10.839 -2.118 -6.616 1.00 0.00 H new ATOM 234 N THR A 15 -10.556 -5.182 0.371 1.00 0.00 N ATOM 235 CA THR A 15 -9.750 -5.398 1.606 1.00 0.00 C ATOM 236 C THR A 15 -8.626 -4.363 1.691 1.00 0.00 C ATOM 237 O THR A 15 -8.313 -3.682 0.738 1.00 0.00 O ATOM 238 CB THR A 15 -9.148 -6.812 1.591 1.00 0.00 C ATOM 239 OG1 THR A 15 -9.693 -7.547 0.504 1.00 0.00 O ATOM 240 CG2 THR A 15 -9.495 -7.509 2.904 1.00 0.00 C ATOM 0 H THR A 15 -10.808 -6.030 -0.136 1.00 0.00 H new ATOM 0 HA THR A 15 -10.399 -5.288 2.474 1.00 0.00 H new ATOM 0 HB THR A 15 -8.065 -6.754 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.004 -7.679 -0.180 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.073 -8.514 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.082 -6.941 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.578 -7.570 3.008 1.00 0.00 H new ATOM 248 N VAL A 16 -8.014 -4.250 2.834 1.00 0.00 N ATOM 249 CA VAL A 16 -6.898 -3.279 3.003 1.00 0.00 C ATOM 250 C VAL A 16 -5.825 -3.956 3.847 1.00 0.00 C ATOM 251 O VAL A 16 -5.713 -3.715 5.032 1.00 0.00 O ATOM 252 CB VAL A 16 -7.400 -2.023 3.724 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.296 -0.960 3.740 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.624 -1.469 2.993 1.00 0.00 C ATOM 0 H VAL A 16 -8.241 -4.793 3.667 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.500 -2.984 2.032 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.670 -2.281 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.657 -0.069 4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.422 -1.351 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.023 -0.704 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.981 -0.576 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.352 -1.215 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.413 -2.221 2.983 1.00 0.00 H new ATOM 264 N HIS A 17 -5.048 -4.824 3.257 1.00 0.00 N ATOM 265 CA HIS A 17 -4.005 -5.526 4.069 1.00 0.00 C ATOM 266 C HIS A 17 -2.632 -4.908 3.818 1.00 0.00 C ATOM 267 O HIS A 17 -1.914 -5.291 2.915 1.00 0.00 O ATOM 268 CB HIS A 17 -3.976 -7.019 3.727 1.00 0.00 C ATOM 269 CG HIS A 17 -5.272 -7.658 4.162 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.881 -7.339 5.367 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.089 -8.597 3.570 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.008 -8.069 5.460 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.182 -8.852 4.392 1.00 0.00 N ATOM 0 H HIS A 17 -5.085 -5.076 2.269 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.256 -5.412 5.124 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.832 -7.155 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.135 -7.501 4.225 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.537 -6.672 6.058 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.908 -9.064 2.613 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.689 -8.027 6.297 1.00 0.00 H new ATOM 281 N PHE A 18 -2.274 -3.943 4.620 1.00 0.00 N ATOM 282 CA PHE A 18 -0.962 -3.265 4.466 1.00 0.00 C ATOM 283 C PHE A 18 0.161 -4.105 5.089 1.00 0.00 C ATOM 284 O PHE A 18 0.272 -4.225 6.293 1.00 0.00 O ATOM 285 CB PHE A 18 -1.027 -1.913 5.174 1.00 0.00 C ATOM 286 CG PHE A 18 -1.666 -0.910 4.252 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.908 -0.333 3.233 1.00 0.00 C ATOM 288 CD2 PHE A 18 -3.013 -0.560 4.410 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.492 0.593 2.370 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.598 0.366 3.542 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.838 0.942 2.524 1.00 0.00 C ATOM 0 H PHE A 18 -2.847 -3.592 5.387 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.750 -3.135 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.602 -1.998 6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.026 -1.585 5.452 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.131 -0.604 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.598 -1.005 5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.905 1.041 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.637 0.635 3.659 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.289 1.658 1.854 1.00 0.00 H new ATOM 301 N LYS A 19 1.009 -4.656 4.268 1.00 0.00 N ATOM 302 CA LYS A 19 2.154 -5.458 4.771 1.00 0.00 C ATOM 303 C LYS A 19 3.411 -4.968 4.049 1.00 0.00 C ATOM 304 O LYS A 19 3.501 -5.017 2.835 1.00 0.00 O ATOM 305 CB LYS A 19 1.923 -6.942 4.472 1.00 0.00 C ATOM 306 CG LYS A 19 2.274 -7.774 5.708 1.00 0.00 C ATOM 307 CD LYS A 19 1.097 -7.761 6.686 1.00 0.00 C ATOM 308 CE LYS A 19 1.555 -8.290 8.046 1.00 0.00 C ATOM 309 NZ LYS A 19 0.725 -7.678 9.123 1.00 0.00 N ATOM 0 H LYS A 19 0.955 -4.582 3.252 1.00 0.00 H new ATOM 0 HA LYS A 19 2.261 -5.341 5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.883 -7.110 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.536 -7.253 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.506 -8.798 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.165 -7.371 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.709 -6.748 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.284 -8.376 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.464 -9.376 8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.607 -8.054 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.036 -8.038 10.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.833 -6.644 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.274 -7.925 8.974 1.00 0.00 H new ATOM 323 N VAL A 20 4.371 -4.468 4.774 1.00 0.00 N ATOM 324 CA VAL A 20 5.599 -3.952 4.110 1.00 0.00 C ATOM 325 C VAL A 20 6.528 -5.108 3.750 1.00 0.00 C ATOM 326 O VAL A 20 6.762 -6.007 4.533 1.00 0.00 O ATOM 327 CB VAL A 20 6.323 -2.984 5.044 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.683 -2.623 4.444 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.485 -1.712 5.204 1.00 0.00 C ATOM 0 H VAL A 20 4.359 -4.394 5.791 1.00 0.00 H new ATOM 0 HA VAL A 20 5.313 -3.429 3.197 1.00 0.00 H new ATOM 0 HB VAL A 20 6.466 -3.453 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.202 -1.932 5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.279 -3.528 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.538 -2.152 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.999 -1.019 5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.346 -1.243 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.513 -1.967 5.626 1.00 0.00 H new ATOM 339 N LEU A 21 7.070 -5.071 2.566 1.00 0.00 N ATOM 340 CA LEU A 21 8.005 -6.142 2.126 1.00 0.00 C ATOM 341 C LEU A 21 9.431 -5.660 2.384 1.00 0.00 C ATOM 342 O LEU A 21 10.367 -6.432 2.380 1.00 0.00 O ATOM 343 CB LEU A 21 7.811 -6.414 0.633 1.00 0.00 C ATOM 344 CG LEU A 21 6.348 -6.185 0.260 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.206 -6.143 -1.262 1.00 0.00 C ATOM 346 CD2 LEU A 21 5.495 -7.325 0.822 1.00 0.00 C ATOM 0 H LEU A 21 6.903 -4.337 1.878 1.00 0.00 H new ATOM 0 HA LEU A 21 7.813 -7.064 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.454 -5.758 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.101 -7.438 0.398 1.00 0.00 H new ATOM 0 HG LEU A 21 6.011 -5.237 0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.161 -5.980 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.813 -5.330 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.543 -7.089 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.450 -7.163 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.833 -8.273 0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.593 -7.352 1.907 1.00 0.00 H new ATOM 358 N ARG A 22 9.575 -4.379 2.617 1.00 0.00 N ATOM 359 CA ARG A 22 10.911 -3.773 2.905 1.00 0.00 C ATOM 360 C ARG A 22 11.580 -3.296 1.609 1.00 0.00 C ATOM 361 O ARG A 22 11.113 -3.554 0.517 1.00 0.00 O ATOM 362 CB ARG A 22 11.799 -4.782 3.660 1.00 0.00 C ATOM 363 CG ARG A 22 12.848 -5.415 2.731 1.00 0.00 C ATOM 364 CD ARG A 22 13.818 -6.263 3.560 1.00 0.00 C ATOM 365 NE ARG A 22 13.562 -7.709 3.305 1.00 0.00 N ATOM 366 CZ ARG A 22 12.341 -8.136 3.126 1.00 0.00 C ATOM 367 NH1 ARG A 22 11.465 -8.027 4.087 1.00 0.00 N ATOM 368 NH2 ARG A 22 11.997 -8.670 1.986 1.00 0.00 N ATOM 0 H ARG A 22 8.803 -3.712 2.619 1.00 0.00 H new ATOM 0 HA ARG A 22 10.773 -2.900 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.300 -4.279 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.176 -5.564 4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.358 -6.034 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.393 -4.637 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 22 14.847 -6.014 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.694 -6.043 4.620 1.00 0.00 H new ATOM 0 HE ARG A 22 14.342 -8.366 3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.734 -7.608 4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.511 -8.360 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.682 -8.754 1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.043 -9.004 1.846 1.00 0.00 H new ATOM 382 N GLU A 23 12.669 -2.588 1.743 1.00 0.00 N ATOM 383 CA GLU A 23 13.400 -2.059 0.554 1.00 0.00 C ATOM 384 C GLU A 23 13.527 -3.127 -0.536 1.00 0.00 C ATOM 385 O GLU A 23 13.137 -4.265 -0.364 1.00 0.00 O ATOM 386 CB GLU A 23 14.794 -1.616 0.991 1.00 0.00 C ATOM 387 CG GLU A 23 14.996 -0.139 0.653 1.00 0.00 C ATOM 388 CD GLU A 23 15.475 -0.022 -0.791 1.00 0.00 C ATOM 389 OE1 GLU A 23 16.458 -0.661 -1.120 1.00 0.00 O ATOM 390 OE2 GLU A 23 14.846 0.697 -1.545 1.00 0.00 O ATOM 0 H GLU A 23 13.090 -2.350 2.641 1.00 0.00 H new ATOM 0 HA GLU A 23 12.841 -1.218 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.917 -1.774 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.551 -2.220 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.063 0.409 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.726 0.306 1.329 1.00 0.00 H new ATOM 397 N GLU A 24 14.069 -2.750 -1.664 1.00 0.00 N ATOM 398 CA GLU A 24 14.226 -3.713 -2.790 1.00 0.00 C ATOM 399 C GLU A 24 15.573 -4.441 -2.689 1.00 0.00 C ATOM 400 O GLU A 24 16.591 -3.947 -3.130 1.00 0.00 O ATOM 401 CB GLU A 24 14.165 -2.943 -4.112 1.00 0.00 C ATOM 402 CG GLU A 24 12.929 -3.381 -4.900 1.00 0.00 C ATOM 403 CD GLU A 24 13.290 -3.518 -6.380 1.00 0.00 C ATOM 404 OE1 GLU A 24 14.375 -3.097 -6.747 1.00 0.00 O ATOM 405 OE2 GLU A 24 12.478 -4.044 -7.123 1.00 0.00 O ATOM 0 H GLU A 24 14.412 -1.808 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 24 13.425 -4.451 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.126 -1.871 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.067 -3.129 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.557 -4.331 -4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.128 -2.652 -4.776 1.00 0.00 H new ATOM 412 N GLY A 25 15.578 -5.620 -2.128 1.00 0.00 N ATOM 413 CA GLY A 25 16.846 -6.401 -2.013 1.00 0.00 C ATOM 414 C GLY A 25 17.861 -5.661 -1.141 1.00 0.00 C ATOM 415 O GLY A 25 17.586 -5.376 0.008 1.00 0.00 O ATOM 0 H GLY A 25 14.753 -6.080 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.637 -7.381 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.266 -6.570 -3.005 1.00 0.00 H new ATOM 419 N PRO A 26 19.018 -5.384 -1.698 1.00 0.00 N ATOM 420 CA PRO A 26 20.084 -4.697 -0.959 1.00 0.00 C ATOM 421 C PRO A 26 19.610 -3.281 -0.615 1.00 0.00 C ATOM 422 O PRO A 26 18.462 -3.091 -0.296 1.00 0.00 O ATOM 423 CB PRO A 26 21.278 -4.681 -1.921 1.00 0.00 C ATOM 424 CG PRO A 26 20.749 -5.099 -3.304 1.00 0.00 C ATOM 425 CD PRO A 26 19.354 -5.715 -3.095 1.00 0.00 C ATOM 0 HA PRO A 26 20.350 -5.181 -0.019 1.00 0.00 H new ATOM 0 HB2 PRO A 26 21.725 -3.688 -1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 26 22.055 -5.366 -1.582 1.00 0.00 H new ATOM 0 HG2 PRO A 26 20.693 -4.238 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 26 21.421 -5.819 -3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 26 18.626 -5.296 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 26 19.366 -6.793 -3.257 1.00 0.00 H new ATOM 433 N ALA A 27 20.468 -2.293 -0.706 1.00 0.00 N ATOM 434 CA ALA A 27 20.046 -0.884 -0.409 1.00 0.00 C ATOM 435 C ALA A 27 19.484 -0.756 1.014 1.00 0.00 C ATOM 436 O ALA A 27 20.144 -0.262 1.905 1.00 0.00 O ATOM 437 CB ALA A 27 18.985 -0.484 -1.411 1.00 0.00 C ATOM 0 H ALA A 27 21.446 -2.401 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 27 20.915 -0.230 -0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 27 18.664 0.539 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 27 19.395 -0.546 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 27 18.131 -1.156 -1.324 1.00 0.00 H new ATOM 443 N HIS A 28 18.262 -1.180 1.228 1.00 0.00 N ATOM 444 CA HIS A 28 17.645 -1.094 2.591 1.00 0.00 C ATOM 445 C HIS A 28 17.663 0.353 3.076 1.00 0.00 C ATOM 446 O HIS A 28 17.766 0.624 4.257 1.00 0.00 O ATOM 447 CB HIS A 28 18.399 -1.996 3.591 1.00 0.00 C ATOM 448 CG HIS A 28 19.477 -2.773 2.883 1.00 0.00 C ATOM 449 ND1 HIS A 28 20.779 -2.310 2.815 1.00 0.00 N ATOM 450 CD2 HIS A 28 19.454 -3.932 2.141 1.00 0.00 C ATOM 451 CE1 HIS A 28 21.474 -3.161 2.050 1.00 0.00 C ATOM 452 NE2 HIS A 28 20.720 -4.170 1.624 1.00 0.00 N ATOM 0 H HIS A 28 17.660 -1.585 0.511 1.00 0.00 H new ATOM 0 HA HIS A 28 16.613 -1.440 2.527 1.00 0.00 H new ATOM 0 HB2 HIS A 28 18.839 -1.387 4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 28 17.701 -2.683 4.070 1.00 0.00 H new ATOM 0 HD1 HIS A 28 21.144 -1.471 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.588 -4.558 1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 28 22.520 -3.042 1.808 1.00 0.00 H new ATOM 460 N MET A 29 17.549 1.283 2.172 1.00 0.00 N ATOM 461 CA MET A 29 17.543 2.720 2.568 1.00 0.00 C ATOM 462 C MET A 29 16.978 3.556 1.416 1.00 0.00 C ATOM 463 O MET A 29 17.251 4.734 1.305 1.00 0.00 O ATOM 464 CB MET A 29 18.974 3.178 2.870 1.00 0.00 C ATOM 465 CG MET A 29 19.228 3.145 4.380 1.00 0.00 C ATOM 466 SD MET A 29 18.031 4.208 5.224 1.00 0.00 S ATOM 467 CE MET A 29 17.653 3.080 6.588 1.00 0.00 C ATOM 0 H MET A 29 17.459 1.111 1.171 1.00 0.00 H new ATOM 0 HA MET A 29 16.927 2.849 3.458 1.00 0.00 H new ATOM 0 HB2 MET A 29 19.687 2.531 2.359 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.129 4.187 2.489 1.00 0.00 H new ATOM 0 HG2 MET A 29 19.145 2.123 4.750 1.00 0.00 H new ATOM 0 HG3 MET A 29 20.242 3.481 4.595 1.00 0.00 H new ATOM 0 HE1 MET A 29 16.973 3.568 7.286 1.00 0.00 H new ATOM 0 HE2 MET A 29 17.183 2.178 6.195 1.00 0.00 H new ATOM 0 HE3 MET A 29 18.575 2.813 7.105 1.00 0.00 H new ATOM 477 N LYS A 30 16.212 2.954 0.542 1.00 0.00 N ATOM 478 CA LYS A 30 15.662 3.715 -0.603 1.00 0.00 C ATOM 479 C LYS A 30 14.139 3.510 -0.714 1.00 0.00 C ATOM 480 O LYS A 30 13.378 3.975 0.119 1.00 0.00 O ATOM 481 CB LYS A 30 16.357 3.227 -1.869 1.00 0.00 C ATOM 482 CG LYS A 30 17.763 3.823 -1.938 1.00 0.00 C ATOM 483 CD LYS A 30 18.338 3.624 -3.342 1.00 0.00 C ATOM 484 CE LYS A 30 19.672 4.365 -3.458 1.00 0.00 C ATOM 485 NZ LYS A 30 20.446 3.813 -4.606 1.00 0.00 N ATOM 0 H LYS A 30 15.948 1.969 0.578 1.00 0.00 H new ATOM 0 HA LYS A 30 15.840 4.781 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.411 2.138 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.783 3.519 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.731 4.885 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.407 3.346 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 30 18.482 2.562 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.637 3.996 -4.089 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.497 5.431 -3.602 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.242 4.257 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.353 4.315 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.624 2.800 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.902 3.938 -5.484 1.00 0.00 H new ATOM 499 N ASN A 31 13.678 2.839 -1.744 1.00 0.00 N ATOM 500 CA ASN A 31 12.211 2.645 -1.906 1.00 0.00 C ATOM 501 C ASN A 31 11.752 1.346 -1.241 1.00 0.00 C ATOM 502 O ASN A 31 12.147 0.261 -1.620 1.00 0.00 O ATOM 503 CB ASN A 31 11.876 2.588 -3.398 1.00 0.00 C ATOM 504 CG ASN A 31 12.782 3.557 -4.163 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.950 3.287 -4.363 1.00 0.00 O ATOM 506 ND2 ASN A 31 12.288 4.682 -4.601 1.00 0.00 N ATOM 0 H ASN A 31 14.256 2.421 -2.474 1.00 0.00 H new ATOM 0 HA ASN A 31 11.696 3.479 -1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.012 1.574 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.830 2.850 -3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.882 5.335 -5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.308 4.908 -4.433 1.00 0.00 H new ATOM 513 N PHE A 32 10.889 1.457 -0.268 1.00 0.00 N ATOM 514 CA PHE A 32 10.355 0.247 0.412 1.00 0.00 C ATOM 515 C PHE A 32 9.094 -0.187 -0.328 1.00 0.00 C ATOM 516 O PHE A 32 8.200 0.608 -0.558 1.00 0.00 O ATOM 517 CB PHE A 32 10.000 0.580 1.864 1.00 0.00 C ATOM 518 CG PHE A 32 11.177 0.271 2.751 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.453 0.716 2.395 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.994 -0.464 3.927 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.551 0.425 3.215 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.090 -0.756 4.749 1.00 0.00 C ATOM 523 CZ PHE A 32 13.369 -0.312 4.390 1.00 0.00 C ATOM 0 H PHE A 32 10.529 2.343 0.087 1.00 0.00 H new ATOM 0 HA PHE A 32 11.100 -0.548 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.731 1.633 1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.131 0.002 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.593 1.284 1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.007 -0.807 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.537 0.769 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.949 -1.322 5.658 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.216 -0.539 5.021 1.00 0.00 H new ATOM 533 N ILE A 33 9.008 -1.433 -0.707 1.00 0.00 N ATOM 534 CA ILE A 33 7.798 -1.892 -1.440 1.00 0.00 C ATOM 535 C ILE A 33 6.751 -2.347 -0.436 1.00 0.00 C ATOM 536 O ILE A 33 6.765 -3.467 0.023 1.00 0.00 O ATOM 537 CB ILE A 33 8.142 -3.062 -2.365 1.00 0.00 C ATOM 538 CG1 ILE A 33 9.580 -2.923 -2.873 1.00 0.00 C ATOM 539 CG2 ILE A 33 7.186 -3.064 -3.558 1.00 0.00 C ATOM 540 CD1 ILE A 33 9.722 -1.604 -3.630 1.00 0.00 C ATOM 0 H ILE A 33 9.718 -2.147 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 33 7.416 -1.066 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 33 8.045 -3.995 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.278 -2.952 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.830 -3.759 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.429 -3.897 -4.218 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.161 -3.170 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.285 -2.126 -4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.745 -1.501 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.034 -1.594 -4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.489 -0.774 -2.962 1.00 0.00 H new ATOM 552 N THR A 34 5.843 -1.485 -0.098 1.00 0.00 N ATOM 553 CA THR A 34 4.783 -1.862 0.873 1.00 0.00 C ATOM 554 C THR A 34 3.598 -2.439 0.103 1.00 0.00 C ATOM 555 O THR A 34 2.957 -1.758 -0.675 1.00 0.00 O ATOM 556 CB THR A 34 4.345 -0.624 1.663 1.00 0.00 C ATOM 557 OG1 THR A 34 5.428 -0.174 2.464 1.00 0.00 O ATOM 558 CG2 THR A 34 3.159 -0.979 2.560 1.00 0.00 C ATOM 0 H THR A 34 5.787 -0.530 -0.453 1.00 0.00 H new ATOM 0 HA THR A 34 5.163 -2.606 1.573 1.00 0.00 H new ATOM 0 HB THR A 34 4.048 0.164 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.202 -0.760 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.850 -0.097 3.120 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.329 -1.327 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.451 -1.766 3.255 1.00 0.00 H new ATOM 566 N ALA A 35 3.313 -3.696 0.296 1.00 0.00 N ATOM 567 CA ALA A 35 2.181 -4.325 -0.442 1.00 0.00 C ATOM 568 C ALA A 35 0.861 -4.020 0.263 1.00 0.00 C ATOM 569 O ALA A 35 0.727 -4.237 1.439 1.00 0.00 O ATOM 570 CB ALA A 35 2.394 -5.832 -0.468 1.00 0.00 C ATOM 0 H ALA A 35 3.814 -4.316 0.933 1.00 0.00 H new ATOM 0 HA ALA A 35 2.143 -3.927 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.573 -6.306 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.335 -6.058 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.427 -6.212 0.553 1.00 0.00 H new ATOM 576 N CYS A 36 -0.129 -3.544 -0.439 1.00 0.00 N ATOM 577 CA CYS A 36 -1.431 -3.269 0.235 1.00 0.00 C ATOM 578 C CYS A 36 -2.512 -4.068 -0.501 1.00 0.00 C ATOM 579 O CYS A 36 -2.739 -3.878 -1.674 1.00 0.00 O ATOM 580 CB CYS A 36 -1.748 -1.757 0.228 1.00 0.00 C ATOM 581 SG CYS A 36 -0.619 -0.855 -0.867 1.00 0.00 S ATOM 0 H CYS A 36 -0.096 -3.335 -1.437 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.389 -3.574 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.777 -1.600 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.670 -1.362 1.241 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.603 -1.423 -2.036 1.00 0.00 H new ATOM 587 N ILE A 37 -3.140 -5.006 0.165 1.00 0.00 N ATOM 588 CA ILE A 37 -4.163 -5.855 -0.527 1.00 0.00 C ATOM 589 C ILE A 37 -5.510 -5.146 -0.642 1.00 0.00 C ATOM 590 O ILE A 37 -6.011 -4.575 0.317 1.00 0.00 O ATOM 591 CB ILE A 37 -4.337 -7.190 0.239 1.00 0.00 C ATOM 592 CG1 ILE A 37 -4.370 -8.352 -0.755 1.00 0.00 C ATOM 593 CG2 ILE A 37 -5.646 -7.229 1.057 1.00 0.00 C ATOM 594 CD1 ILE A 37 -5.729 -8.393 -1.451 1.00 0.00 C ATOM 0 H ILE A 37 -2.991 -5.221 1.151 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.805 -6.049 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.493 -7.276 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.576 -8.235 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.187 -9.293 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.722 -8.185 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.643 -6.419 1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.497 -7.111 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.750 -9.222 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.514 -8.530 -0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.893 -7.456 -1.984 1.00 0.00 H new ATOM 606 N VAL A 38 -6.110 -5.252 -1.805 1.00 0.00 N ATOM 607 CA VAL A 38 -7.453 -4.673 -2.048 1.00 0.00 C ATOM 608 C VAL A 38 -8.290 -5.720 -2.800 1.00 0.00 C ATOM 609 O VAL A 38 -7.819 -6.359 -3.724 1.00 0.00 O ATOM 610 CB VAL A 38 -7.304 -3.381 -2.866 1.00 0.00 C ATOM 611 CG1 VAL A 38 -8.117 -3.440 -4.164 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.782 -2.202 -2.019 1.00 0.00 C ATOM 0 H VAL A 38 -5.707 -5.730 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.953 -4.421 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.254 -3.260 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.988 -2.510 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.770 -4.275 -4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.172 -3.578 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.681 -1.279 -2.590 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.828 -2.349 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.179 -2.136 -1.113 1.00 0.00 H new ATOM 622 N GLY A 39 -9.519 -5.901 -2.413 1.00 0.00 N ATOM 623 CA GLY A 39 -10.379 -6.904 -3.104 1.00 0.00 C ATOM 624 C GLY A 39 -9.642 -8.240 -3.185 1.00 0.00 C ATOM 625 O GLY A 39 -9.211 -8.785 -2.188 1.00 0.00 O ATOM 0 H GLY A 39 -9.968 -5.398 -1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.318 -7.027 -2.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.631 -6.554 -4.105 1.00 0.00 H new ATOM 629 N SER A 40 -9.490 -8.773 -4.366 1.00 0.00 N ATOM 630 CA SER A 40 -8.777 -10.072 -4.510 1.00 0.00 C ATOM 631 C SER A 40 -7.422 -9.840 -5.179 1.00 0.00 C ATOM 632 O SER A 40 -6.704 -10.770 -5.487 1.00 0.00 O ATOM 633 CB SER A 40 -9.613 -11.024 -5.367 1.00 0.00 C ATOM 634 OG SER A 40 -10.043 -12.119 -4.569 1.00 0.00 O ATOM 0 H SER A 40 -9.829 -8.365 -5.237 1.00 0.00 H new ATOM 0 HA SER A 40 -8.625 -10.512 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.475 -10.499 -5.779 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.025 -11.383 -6.211 1.00 0.00 H new ATOM 0 HG SER A 40 -10.581 -12.730 -5.115 1.00 0.00 H new ATOM 640 N ILE A 41 -7.062 -8.605 -5.404 1.00 0.00 N ATOM 641 CA ILE A 41 -5.749 -8.322 -6.050 1.00 0.00 C ATOM 642 C ILE A 41 -4.915 -7.448 -5.114 1.00 0.00 C ATOM 643 O ILE A 41 -5.443 -6.644 -4.370 1.00 0.00 O ATOM 644 CB ILE A 41 -5.960 -7.580 -7.375 1.00 0.00 C ATOM 645 CG1 ILE A 41 -7.212 -8.104 -8.088 1.00 0.00 C ATOM 646 CG2 ILE A 41 -4.742 -7.801 -8.273 1.00 0.00 C ATOM 647 CD1 ILE A 41 -7.883 -6.955 -8.845 1.00 0.00 C ATOM 0 H ILE A 41 -7.618 -7.783 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.235 -9.263 -6.247 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.089 -6.517 -7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.943 -8.902 -8.780 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.905 -8.531 -7.363 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.886 -7.276 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.850 -7.418 -7.777 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.621 -8.867 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.774 -7.325 -9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.165 -6.172 -8.142 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.188 -6.549 -9.580 1.00 0.00 H new ATOM 659 N VAL A 42 -3.617 -7.590 -5.137 1.00 0.00 N ATOM 660 CA VAL A 42 -2.776 -6.753 -4.240 1.00 0.00 C ATOM 661 C VAL A 42 -2.027 -5.703 -5.047 1.00 0.00 C ATOM 662 O VAL A 42 -1.549 -5.951 -6.136 1.00 0.00 O ATOM 663 CB VAL A 42 -1.736 -7.607 -3.517 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.369 -6.954 -2.184 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.293 -9.012 -3.276 1.00 0.00 C ATOM 0 H VAL A 42 -3.108 -8.243 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.441 -6.281 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.841 -7.683 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.627 -7.566 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.957 -5.961 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.261 -6.869 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.546 -9.616 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.193 -8.947 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.537 -9.476 -4.232 1.00 0.00 H new ATOM 675 N THR A 43 -1.887 -4.549 -4.483 1.00 0.00 N ATOM 676 CA THR A 43 -1.126 -3.465 -5.157 1.00 0.00 C ATOM 677 C THR A 43 -0.159 -2.885 -4.131 1.00 0.00 C ATOM 678 O THR A 43 -0.567 -2.316 -3.141 1.00 0.00 O ATOM 679 CB THR A 43 -2.066 -2.360 -5.657 1.00 0.00 C ATOM 680 OG1 THR A 43 -2.670 -1.715 -4.548 1.00 0.00 O ATOM 681 CG2 THR A 43 -3.149 -2.958 -6.556 1.00 0.00 C ATOM 0 H THR A 43 -2.271 -4.302 -3.571 1.00 0.00 H new ATOM 0 HA THR A 43 -0.597 -3.866 -6.021 1.00 0.00 H new ATOM 0 HB THR A 43 -1.490 -1.635 -6.232 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.987 -1.514 -3.875 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.811 -2.165 -6.905 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.683 -3.445 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 43 -3.727 -3.690 -5.992 1.00 0.00 H new ATOM 689 N GLU A 44 1.115 -3.045 -4.331 1.00 0.00 N ATOM 690 CA GLU A 44 2.079 -2.508 -3.335 1.00 0.00 C ATOM 691 C GLU A 44 2.417 -1.061 -3.665 1.00 0.00 C ATOM 692 O GLU A 44 1.775 -0.427 -4.479 1.00 0.00 O ATOM 693 CB GLU A 44 3.369 -3.335 -3.341 1.00 0.00 C ATOM 694 CG GLU A 44 3.041 -4.823 -3.496 1.00 0.00 C ATOM 695 CD GLU A 44 3.879 -5.412 -4.632 1.00 0.00 C ATOM 696 OE1 GLU A 44 5.070 -5.148 -4.660 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.318 -6.116 -5.453 1.00 0.00 O ATOM 0 H GLU A 44 1.529 -3.520 -5.133 1.00 0.00 H new ATOM 0 HA GLU A 44 1.619 -2.563 -2.348 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.014 -3.010 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.920 -3.171 -2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.248 -5.351 -2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.980 -4.953 -3.707 1.00 0.00 H new ATOM 704 N GLY A 45 3.422 -0.536 -3.030 1.00 0.00 N ATOM 705 CA GLY A 45 3.815 0.879 -3.295 1.00 0.00 C ATOM 706 C GLY A 45 5.245 1.101 -2.813 1.00 0.00 C ATOM 707 O GLY A 45 5.530 1.029 -1.637 1.00 0.00 O ATOM 0 H GLY A 45 3.991 -1.022 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.740 1.096 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.136 1.560 -2.782 1.00 0.00 H new ATOM 711 N GLU A 46 6.153 1.367 -3.707 1.00 0.00 N ATOM 712 CA GLU A 46 7.563 1.573 -3.283 1.00 0.00 C ATOM 713 C GLU A 46 7.729 2.973 -2.693 1.00 0.00 C ATOM 714 O GLU A 46 8.133 3.902 -3.364 1.00 0.00 O ATOM 715 CB GLU A 46 8.484 1.405 -4.486 1.00 0.00 C ATOM 716 CG GLU A 46 7.865 2.080 -5.712 1.00 0.00 C ATOM 717 CD GLU A 46 7.186 1.023 -6.585 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.487 -0.145 -6.406 1.00 0.00 O ATOM 719 OE2 GLU A 46 6.379 1.401 -7.416 1.00 0.00 O ATOM 0 H GLU A 46 5.981 1.450 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 46 7.823 0.836 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.459 1.842 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.646 0.346 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.139 2.831 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.635 2.599 -6.283 1.00 0.00 H new ATOM 726 N GLY A 47 7.413 3.126 -1.436 1.00 0.00 N ATOM 727 CA GLY A 47 7.546 4.464 -0.789 1.00 0.00 C ATOM 728 C GLY A 47 8.967 4.657 -0.253 1.00 0.00 C ATOM 729 O GLY A 47 9.434 3.896 0.566 1.00 0.00 O ATOM 0 H GLY A 47 7.068 2.383 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.312 5.248 -1.509 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.827 4.554 0.026 1.00 0.00 H new ATOM 733 N ASN A 48 9.650 5.684 -0.691 1.00 0.00 N ATOM 734 CA ASN A 48 11.034 5.929 -0.187 1.00 0.00 C ATOM 735 C ASN A 48 11.049 5.819 1.340 1.00 0.00 C ATOM 736 O ASN A 48 10.780 6.774 2.034 1.00 0.00 O ATOM 737 CB ASN A 48 11.497 7.326 -0.605 1.00 0.00 C ATOM 738 CG ASN A 48 11.161 7.559 -2.080 1.00 0.00 C ATOM 739 OD1 ASN A 48 10.968 8.682 -2.501 1.00 0.00 O ATOM 740 ND2 ASN A 48 11.085 6.537 -2.889 1.00 0.00 N ATOM 0 H ASN A 48 9.310 6.361 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 48 11.709 5.186 -0.611 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.011 8.081 0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.571 7.427 -0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.864 6.682 -3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.247 5.594 -2.536 1.00 0.00 H new ATOM 747 N GLY A 49 11.357 4.643 1.831 1.00 0.00 N ATOM 748 CA GLY A 49 11.407 4.351 3.308 1.00 0.00 C ATOM 749 C GLY A 49 11.378 5.621 4.165 1.00 0.00 C ATOM 750 O GLY A 49 10.393 6.331 4.204 1.00 0.00 O ATOM 0 H GLY A 49 11.586 3.838 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.562 3.717 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.313 3.787 3.532 1.00 0.00 H new ATOM 754 N LYS A 50 12.449 5.889 4.875 1.00 0.00 N ATOM 755 CA LYS A 50 12.496 7.096 5.757 1.00 0.00 C ATOM 756 C LYS A 50 11.118 7.328 6.382 1.00 0.00 C ATOM 757 O LYS A 50 10.665 8.448 6.515 1.00 0.00 O ATOM 758 CB LYS A 50 12.898 8.318 4.930 1.00 0.00 C ATOM 759 CG LYS A 50 14.400 8.566 5.090 1.00 0.00 C ATOM 760 CD LYS A 50 14.661 10.070 5.200 1.00 0.00 C ATOM 761 CE LYS A 50 15.723 10.482 4.179 1.00 0.00 C ATOM 762 NZ LYS A 50 15.066 11.140 3.016 1.00 0.00 N ATOM 0 H LYS A 50 13.296 5.320 4.880 1.00 0.00 H new ATOM 0 HA LYS A 50 13.229 6.939 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.654 8.157 3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.336 9.193 5.257 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.771 8.056 5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.940 8.154 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.739 10.623 5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.995 10.319 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.439 11.163 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.282 9.607 3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.788 11.420 2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.399 10.476 2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.551 11.984 3.340 1.00 0.00 H new ATOM 776 N LYS A 51 10.439 6.271 6.745 1.00 0.00 N ATOM 777 CA LYS A 51 9.081 6.424 7.337 1.00 0.00 C ATOM 778 C LYS A 51 8.122 6.862 6.231 1.00 0.00 C ATOM 779 O LYS A 51 7.568 7.942 6.268 1.00 0.00 O ATOM 780 CB LYS A 51 9.113 7.488 8.438 1.00 0.00 C ATOM 781 CG LYS A 51 8.120 7.112 9.540 1.00 0.00 C ATOM 782 CD LYS A 51 7.608 8.384 10.220 1.00 0.00 C ATOM 783 CE LYS A 51 8.724 8.991 11.074 1.00 0.00 C ATOM 784 NZ LYS A 51 8.616 10.478 11.047 1.00 0.00 N ATOM 0 H LYS A 51 10.768 5.310 6.656 1.00 0.00 H new ATOM 0 HA LYS A 51 8.753 5.479 7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.118 7.568 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.860 8.464 8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.286 6.552 9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.601 6.464 10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.278 9.103 9.470 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.744 8.154 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.650 8.629 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.697 8.679 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.374 10.892 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.707 10.815 10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.692 10.766 11.428 1.00 0.00 H new ATOM 798 N VAL A 52 7.939 6.039 5.233 1.00 0.00 N ATOM 799 CA VAL A 52 7.038 6.426 4.113 1.00 0.00 C ATOM 800 C VAL A 52 6.376 5.179 3.508 1.00 0.00 C ATOM 801 O VAL A 52 5.199 5.175 3.224 1.00 0.00 O ATOM 802 CB VAL A 52 7.882 7.167 3.054 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.276 6.231 1.906 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.078 8.344 2.499 1.00 0.00 C ATOM 0 H VAL A 52 8.373 5.120 5.146 1.00 0.00 H new ATOM 0 HA VAL A 52 6.243 7.078 4.474 1.00 0.00 H new ATOM 0 HB VAL A 52 8.794 7.526 3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.870 6.781 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.862 5.400 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.377 5.845 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.671 8.869 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.161 7.974 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.828 9.028 3.310 1.00 0.00 H new ATOM 814 N SER A 53 7.149 4.143 3.296 1.00 0.00 N ATOM 815 CA SER A 53 6.628 2.872 2.688 1.00 0.00 C ATOM 816 C SER A 53 5.120 2.702 2.908 1.00 0.00 C ATOM 817 O SER A 53 4.399 2.310 2.012 1.00 0.00 O ATOM 818 CB SER A 53 7.361 1.688 3.314 1.00 0.00 C ATOM 819 OG SER A 53 8.521 2.158 3.988 1.00 0.00 O ATOM 0 H SER A 53 8.143 4.122 3.523 1.00 0.00 H new ATOM 0 HA SER A 53 6.804 2.917 1.613 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.706 1.168 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.640 0.969 2.543 1.00 0.00 H new ATOM 0 HG SER A 53 9.076 1.396 4.254 1.00 0.00 H new ATOM 825 N LYS A 54 4.636 2.979 4.083 1.00 0.00 N ATOM 826 CA LYS A 54 3.174 2.816 4.339 1.00 0.00 C ATOM 827 C LYS A 54 2.393 3.876 3.557 1.00 0.00 C ATOM 828 O LYS A 54 1.560 3.561 2.733 1.00 0.00 O ATOM 829 CB LYS A 54 2.894 2.977 5.834 1.00 0.00 C ATOM 830 CG LYS A 54 3.098 1.635 6.540 1.00 0.00 C ATOM 831 CD LYS A 54 1.997 1.433 7.583 1.00 0.00 C ATOM 832 CE LYS A 54 1.360 0.055 7.393 1.00 0.00 C ATOM 833 NZ LYS A 54 1.873 -0.878 8.436 1.00 0.00 N ATOM 0 H LYS A 54 5.184 3.310 4.877 1.00 0.00 H new ATOM 0 HA LYS A 54 2.861 1.823 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.558 3.729 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.874 3.329 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.078 0.823 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.077 1.610 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.413 1.518 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.241 2.212 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.275 0.132 7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.591 -0.330 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.440 -1.815 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.906 -0.959 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.631 -0.512 9.379 1.00 0.00 H new ATOM 847 N LYS A 55 2.652 5.127 3.812 1.00 0.00 N ATOM 848 CA LYS A 55 1.922 6.205 3.086 1.00 0.00 C ATOM 849 C LYS A 55 1.970 5.941 1.578 1.00 0.00 C ATOM 850 O LYS A 55 0.991 6.103 0.875 1.00 0.00 O ATOM 851 CB LYS A 55 2.586 7.550 3.386 1.00 0.00 C ATOM 852 CG LYS A 55 1.782 8.674 2.732 1.00 0.00 C ATOM 853 CD LYS A 55 1.879 9.936 3.591 1.00 0.00 C ATOM 854 CE LYS A 55 3.069 10.781 3.128 1.00 0.00 C ATOM 855 NZ LYS A 55 4.185 10.646 4.106 1.00 0.00 N ATOM 0 H LYS A 55 3.339 5.451 4.493 1.00 0.00 H new ATOM 0 HA LYS A 55 0.883 6.223 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.642 7.708 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.609 7.554 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.163 8.873 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.740 8.374 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.958 10.513 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.998 9.666 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.396 10.457 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.774 11.826 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.993 11.220 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.869 10.975 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.472 9.649 4.169 1.00 0.00 H new ATOM 869 N ARG A 56 3.107 5.550 1.078 1.00 0.00 N ATOM 870 CA ARG A 56 3.242 5.291 -0.381 1.00 0.00 C ATOM 871 C ARG A 56 2.463 4.033 -0.776 1.00 0.00 C ATOM 872 O ARG A 56 1.915 3.954 -1.855 1.00 0.00 O ATOM 873 CB ARG A 56 4.719 5.106 -0.714 1.00 0.00 C ATOM 874 CG ARG A 56 5.053 5.868 -1.997 1.00 0.00 C ATOM 875 CD ARG A 56 5.682 7.216 -1.636 1.00 0.00 C ATOM 876 NE ARG A 56 6.242 7.854 -2.862 1.00 0.00 N ATOM 877 CZ ARG A 56 6.807 7.121 -3.781 1.00 0.00 C ATOM 878 NH1 ARG A 56 8.077 6.834 -3.695 1.00 0.00 N ATOM 879 NH2 ARG A 56 6.104 6.673 -4.783 1.00 0.00 N ATOM 0 H ARG A 56 3.956 5.397 1.622 1.00 0.00 H new ATOM 0 HA ARG A 56 2.836 6.137 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.336 5.469 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.945 4.047 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.740 5.286 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.150 6.022 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.934 7.868 -1.184 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.470 7.074 -0.896 1.00 0.00 H new ATOM 0 HE ARG A 56 6.183 8.865 -2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.627 7.183 -2.910 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.520 6.261 -4.413 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.111 6.896 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.547 6.100 -5.501 1.00 0.00 H new ATOM 893 N ALA A 57 2.404 3.049 0.079 1.00 0.00 N ATOM 894 CA ALA A 57 1.652 1.815 -0.276 1.00 0.00 C ATOM 895 C ALA A 57 0.174 2.170 -0.426 1.00 0.00 C ATOM 896 O ALA A 57 -0.452 1.842 -1.409 1.00 0.00 O ATOM 897 CB ALA A 57 1.801 0.761 0.825 1.00 0.00 C ATOM 0 H ALA A 57 2.841 3.046 1.001 1.00 0.00 H new ATOM 0 HA ALA A 57 2.048 1.410 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.245 -0.135 0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.855 0.510 0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.410 1.156 1.762 1.00 0.00 H new ATOM 903 N ALA A 58 -0.387 2.832 0.553 1.00 0.00 N ATOM 904 CA ALA A 58 -1.828 3.209 0.487 1.00 0.00 C ATOM 905 C ALA A 58 -2.070 4.119 -0.718 1.00 0.00 C ATOM 906 O ALA A 58 -2.942 3.867 -1.524 1.00 0.00 O ATOM 907 CB ALA A 58 -2.231 3.946 1.770 1.00 0.00 C ATOM 0 H ALA A 58 0.096 3.129 1.401 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.428 2.305 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.285 4.219 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.068 3.296 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.627 4.847 1.877 1.00 0.00 H new ATOM 913 N GLU A 59 -1.310 5.173 -0.861 1.00 0.00 N ATOM 914 CA GLU A 59 -1.526 6.063 -2.035 1.00 0.00 C ATOM 915 C GLU A 59 -1.534 5.194 -3.282 1.00 0.00 C ATOM 916 O GLU A 59 -2.366 5.333 -4.149 1.00 0.00 O ATOM 917 CB GLU A 59 -0.395 7.086 -2.147 1.00 0.00 C ATOM 918 CG GLU A 59 -0.677 8.266 -1.215 1.00 0.00 C ATOM 919 CD GLU A 59 -0.330 9.575 -1.927 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.569 9.557 -2.751 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.968 10.572 -1.635 1.00 0.00 O ATOM 0 H GLU A 59 -0.562 5.451 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.468 6.599 -1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.556 6.622 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.307 7.435 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.726 8.267 -0.920 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.090 8.170 -0.302 1.00 0.00 H new ATOM 928 N LYS A 60 -0.609 4.285 -3.363 1.00 0.00 N ATOM 929 CA LYS A 60 -0.541 3.380 -4.537 1.00 0.00 C ATOM 930 C LYS A 60 -1.832 2.557 -4.611 1.00 0.00 C ATOM 931 O LYS A 60 -2.339 2.264 -5.676 1.00 0.00 O ATOM 932 CB LYS A 60 0.660 2.445 -4.367 1.00 0.00 C ATOM 933 CG LYS A 60 1.709 2.761 -5.437 1.00 0.00 C ATOM 934 CD LYS A 60 2.264 4.170 -5.209 1.00 0.00 C ATOM 935 CE LYS A 60 2.603 4.810 -6.555 1.00 0.00 C ATOM 936 NZ LYS A 60 1.400 5.507 -7.092 1.00 0.00 N ATOM 0 H LYS A 60 0.111 4.129 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.429 3.958 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.091 2.566 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.341 1.406 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.516 2.030 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.264 2.690 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.532 4.779 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.154 4.124 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.424 5.518 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.938 4.047 -7.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.631 5.942 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.629 4.821 -7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.099 6.245 -6.424 1.00 0.00 H new ATOM 950 N MET A 61 -2.362 2.184 -3.478 1.00 0.00 N ATOM 951 CA MET A 61 -3.610 1.375 -3.454 1.00 0.00 C ATOM 952 C MET A 61 -4.806 2.217 -3.899 1.00 0.00 C ATOM 953 O MET A 61 -5.353 2.028 -4.968 1.00 0.00 O ATOM 954 CB MET A 61 -3.861 0.883 -2.028 1.00 0.00 C ATOM 955 CG MET A 61 -5.253 0.257 -1.949 1.00 0.00 C ATOM 956 SD MET A 61 -5.449 -0.919 -3.306 1.00 0.00 S ATOM 957 CE MET A 61 -4.315 -2.167 -2.658 1.00 0.00 C ATOM 0 H MET A 61 -1.978 2.408 -2.560 1.00 0.00 H new ATOM 0 HA MET A 61 -3.493 0.533 -4.136 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.104 0.152 -1.744 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.782 1.713 -1.325 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.385 -0.248 -0.992 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.018 1.031 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.189 -2.961 -3.394 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.348 -1.708 -2.451 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.722 -2.586 -1.738 1.00 0.00 H new ATOM 967 N LEU A 62 -5.228 3.139 -3.082 1.00 0.00 N ATOM 968 CA LEU A 62 -6.395 3.977 -3.461 1.00 0.00 C ATOM 969 C LEU A 62 -6.166 4.508 -4.871 1.00 0.00 C ATOM 970 O LEU A 62 -6.981 4.342 -5.752 1.00 0.00 O ATOM 971 CB LEU A 62 -6.538 5.135 -2.468 1.00 0.00 C ATOM 972 CG LEU A 62 -6.588 4.624 -1.008 1.00 0.00 C ATOM 973 CD1 LEU A 62 -7.744 5.313 -0.287 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.807 3.098 -0.937 1.00 0.00 C ATOM 0 H LEU A 62 -4.817 3.347 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.312 3.389 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.701 5.823 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.445 5.697 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.631 4.853 -0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.791 4.962 0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.587 6.392 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.680 5.078 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.836 2.783 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.751 2.843 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.990 2.589 -1.448 1.00 0.00 H new ATOM 986 N VAL A 63 -5.044 5.120 -5.100 1.00 0.00 N ATOM 987 CA VAL A 63 -4.746 5.633 -6.460 1.00 0.00 C ATOM 988 C VAL A 63 -4.945 4.496 -7.467 1.00 0.00 C ATOM 989 O VAL A 63 -5.461 4.690 -8.550 1.00 0.00 O ATOM 990 CB VAL A 63 -3.297 6.114 -6.502 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.928 6.514 -7.924 1.00 0.00 C ATOM 992 CG2 VAL A 63 -3.134 7.320 -5.574 1.00 0.00 C ATOM 0 H VAL A 63 -4.318 5.288 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.409 6.462 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.640 5.308 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.893 6.856 -7.949 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.042 5.655 -8.585 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.584 7.318 -8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.100 7.664 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.793 8.123 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.392 7.032 -4.555 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.539 3.305 -7.109 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.701 2.145 -8.033 1.00 0.00 C ATOM 1004 C GLU A 64 -6.183 1.939 -8.372 1.00 0.00 C ATOM 1005 O GLU A 64 -6.583 2.060 -9.512 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.151 0.878 -7.369 1.00 0.00 C ATOM 1007 CG GLU A 64 -2.709 0.650 -7.823 1.00 0.00 C ATOM 1008 CD GLU A 64 -2.707 -0.039 -9.188 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -3.519 0.332 -10.018 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -1.894 -0.929 -9.380 1.00 0.00 O ATOM 0 H GLU A 64 -4.101 3.086 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.150 2.348 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.191 0.976 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.767 0.019 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.181 1.602 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.179 0.037 -7.094 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.000 1.610 -7.402 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.447 1.380 -7.709 1.00 0.00 C ATOM 1019 C LEU A 65 -9.032 2.590 -8.446 1.00 0.00 C ATOM 1020 O LEU A 65 -9.968 2.461 -9.212 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.262 1.135 -6.431 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.579 1.770 -5.224 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.631 2.424 -4.325 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -7.849 0.679 -4.446 1.00 0.00 C ATOM 0 H LEU A 65 -6.734 1.492 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.508 0.493 -8.339 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.263 1.549 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.377 0.064 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.870 2.530 -5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.142 2.877 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.162 3.192 -4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.339 1.668 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.355 1.119 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.565 -0.072 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.104 0.210 -5.089 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.506 3.765 -8.223 1.00 0.00 N ATOM 1037 CA GLN A 66 -9.062 4.960 -8.919 1.00 0.00 C ATOM 1038 C GLN A 66 -9.077 4.714 -10.430 1.00 0.00 C ATOM 1039 O GLN A 66 -10.119 4.696 -11.054 1.00 0.00 O ATOM 1040 CB GLN A 66 -8.207 6.199 -8.610 1.00 0.00 C ATOM 1041 CG GLN A 66 -8.321 6.602 -7.126 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.619 6.130 -6.518 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.691 6.370 -7.036 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.551 5.468 -5.412 1.00 0.00 N ATOM 0 H GLN A 66 -7.723 3.948 -7.595 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.079 5.133 -8.566 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.165 5.994 -8.855 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.525 7.030 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.484 6.181 -6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.250 7.686 -7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.643 5.274 -4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.405 5.139 -4.961 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.931 4.527 -11.025 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.885 4.287 -12.495 1.00 0.00 C ATOM 1055 C LYS A 67 -8.787 3.104 -12.848 1.00 0.00 C ATOM 1056 O LYS A 67 -9.479 3.114 -13.847 1.00 0.00 O ATOM 1057 CB LYS A 67 -6.448 3.980 -12.917 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.680 5.291 -13.089 1.00 0.00 C ATOM 1059 CD LYS A 67 -4.610 5.121 -14.169 1.00 0.00 C ATOM 1060 CE LYS A 67 -4.556 6.381 -15.034 1.00 0.00 C ATOM 1061 NZ LYS A 67 -3.547 6.199 -16.116 1.00 0.00 N ATOM 0 H LYS A 67 -7.025 4.530 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.234 5.177 -13.019 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.962 3.356 -12.167 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.443 3.417 -13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.366 6.092 -13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.216 5.579 -12.146 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.639 4.941 -13.709 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.836 4.252 -14.787 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.537 6.580 -15.466 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.296 7.244 -14.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.510 7.056 -16.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.612 6.029 -15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.814 5.385 -16.706 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.783 2.085 -12.039 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.633 0.901 -12.323 1.00 0.00 C ATOM 1077 C LEU A 68 -11.053 1.160 -11.816 1.00 0.00 C ATOM 1078 O LEU A 68 -11.283 2.232 -11.281 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.048 -0.315 -11.609 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.519 -0.251 -11.658 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -6.935 -1.561 -11.129 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.067 -0.039 -13.105 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.886 0.283 -11.974 1.00 0.00 O ATOM 0 H LEU A 68 -8.224 2.022 -11.188 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.663 0.717 -13.397 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.388 -0.340 -10.574 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.399 -1.232 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.169 0.576 -11.041 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.847 -1.515 -11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.259 -1.714 -10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.283 -2.390 -11.746 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.979 0.007 -13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.417 -0.868 -13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.483 0.895 -13.483 1.00 0.00 H new TER 1095 LEU A 68