USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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 40 SER OG : rot 180:sc= 1.5 USER MOD Set 1.2: A 43 THR OG1 : rot 71:sc= 1.19 USER MOD Set 2.1: A 26 THR OG1 : rot -86:sc= 2.14 USER MOD Set 2.2: A 68 TYR OH : rot 54:sc= 1.69 USER MOD Set 3.1: A 23 SER OG : rot -0:sc= 1.24 USER MOD Set 3.2: A 69 THR OG1 : rot -68:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.989 (180deg=-0.171) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= 0.326 (180deg=0.132) USER MOD Single : A 3 LYS NZ :NH3+ 141:sc= -0.132 (180deg=-0.531) USER MOD Single : A 6 GLN : amide:sc= -1.58! C(o=-1.6!,f=-4.4!) USER MOD Single : A 8 SER OG : rot -81:sc= 1.07 USER MOD Single : A 15 MET CE :methyl -146:sc= -2.22 (180deg=-6.26!) USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= 0.316 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= 0.974 K(o=0.97,f=-3.1!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.14 USER MOD Single : A 25 ASN : amide:sc= 0.0223 K(o=0.022,f=-11!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0148 (180deg=-0.207) USER MOD Single : A 34 SER OG : rot 87:sc= 1.25 USER MOD Single : A 35 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0732) USER MOD Single : A 36 THR OG1 : rot -14:sc= 1.09 USER MOD Single : A 37 SER OG : rot 7:sc= 0.635 USER MOD Single : A 38 THR OG1 : rot 60:sc= 0.105 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 73:sc= 1.18 USER MOD Single : A 47 MET CE :methyl -177:sc= -0.0779 (180deg=-0.0872) USER MOD Single : A 53 LYS NZ :NH3+ -125:sc= -0.024 (180deg=-0.916) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= 0.645 (180deg=-0.00207) USER MOD Single : A 58 ASN : amide:sc= 0.166 X(o=0.17,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0803 K(o=-0.08,f=-0.84) USER MOD Single : A 60 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-1.6) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 1.58 (180deg=0.92) USER MOD Single : A 71 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0024) USER MOD Single : A 75 SER OG : rot 96:sc= 1.29 USER MOD Single : A 77 TYR OH : rot 23:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= 0.915 (180deg=0.793) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0643 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.394 18.993 4.585 1.00 0.00 N ATOM 2 CA MET A 1 8.941 18.946 4.807 1.00 0.00 C ATOM 3 C MET A 1 8.230 18.215 3.662 1.00 0.00 C ATOM 4 O MET A 1 7.384 17.356 3.900 1.00 0.00 O ATOM 5 CB MET A 1 8.353 20.353 4.995 1.00 0.00 C ATOM 6 CG MET A 1 9.100 21.194 6.040 1.00 0.00 C ATOM 7 SD MET A 1 9.500 20.360 7.597 1.00 0.00 S ATOM 8 CE MET A 1 7.840 20.004 8.219 1.00 0.00 C ATOM 0 H1 MET A 1 10.871 19.273 5.466 1.00 0.00 H new ATOM 0 H2 MET A 1 10.731 18.054 4.292 1.00 0.00 H new ATOM 0 H3 MET A 1 10.609 19.686 3.840 1.00 0.00 H new ATOM 0 HA MET A 1 8.773 18.387 5.727 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.371 20.876 4.039 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.308 20.265 5.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.028 21.550 5.593 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.497 22.073 6.267 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.913 19.489 9.177 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.293 20.937 8.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.312 19.371 7.506 1.00 0.00 H new ATOM 20 N LYS A 2 8.577 18.545 2.416 1.00 0.00 N ATOM 21 CA LYS A 2 8.015 17.932 1.226 1.00 0.00 C ATOM 22 C LYS A 2 8.677 16.565 1.033 1.00 0.00 C ATOM 23 O LYS A 2 9.455 16.377 0.099 1.00 0.00 O ATOM 24 CB LYS A 2 8.266 18.861 0.029 1.00 0.00 C ATOM 25 CG LYS A 2 7.654 20.252 0.250 1.00 0.00 C ATOM 26 CD LYS A 2 8.008 21.233 -0.877 1.00 0.00 C ATOM 27 CE LYS A 2 9.518 21.434 -1.082 1.00 0.00 C ATOM 28 NZ LYS A 2 10.239 21.668 0.185 1.00 0.00 N ATOM 0 H LYS A 2 9.272 19.262 2.209 1.00 0.00 H new ATOM 0 HA LYS A 2 6.939 17.785 1.320 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.339 18.958 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.843 18.416 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.570 20.162 0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.005 20.653 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.570 20.873 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.550 22.198 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.934 20.555 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.680 22.280 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.153 22.123 -0.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.671 22.287 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.402 20.760 0.665 1.00 0.00 H new ATOM 42 N LYS A 3 8.388 15.626 1.936 1.00 0.00 N ATOM 43 CA LYS A 3 8.931 14.275 1.914 1.00 0.00 C ATOM 44 C LYS A 3 7.794 13.309 1.574 1.00 0.00 C ATOM 45 O LYS A 3 7.167 12.719 2.454 1.00 0.00 O ATOM 46 CB LYS A 3 9.663 13.979 3.242 1.00 0.00 C ATOM 47 CG LYS A 3 11.113 13.497 3.049 1.00 0.00 C ATOM 48 CD LYS A 3 11.315 11.975 2.941 1.00 0.00 C ATOM 49 CE LYS A 3 10.505 11.238 1.865 1.00 0.00 C ATOM 50 NZ LYS A 3 10.801 11.683 0.492 1.00 0.00 N ATOM 0 H LYS A 3 7.755 15.792 2.719 1.00 0.00 H new ATOM 0 HA LYS A 3 9.691 14.151 1.142 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.667 14.880 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.107 13.221 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.511 13.960 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.710 13.863 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.373 11.786 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.075 11.532 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.704 10.169 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.442 11.380 2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.809 10.861 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.072 12.356 0.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.732 12.146 0.470 1.00 0.00 H new ATOM 64 N ILE A 4 7.512 13.154 0.279 1.00 0.00 N ATOM 65 CA ILE A 4 6.469 12.246 -0.195 1.00 0.00 C ATOM 66 C ILE A 4 7.009 10.816 -0.044 1.00 0.00 C ATOM 67 O ILE A 4 8.216 10.624 -0.196 1.00 0.00 O ATOM 68 CB ILE A 4 6.098 12.617 -1.649 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.070 13.764 -1.687 1.00 0.00 C ATOM 70 CG2 ILE A 4 5.536 11.456 -2.486 1.00 0.00 C ATOM 71 CD1 ILE A 4 5.571 15.067 -1.056 1.00 0.00 C ATOM 0 H ILE A 4 7.998 13.652 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 4 5.548 12.324 0.383 1.00 0.00 H new ATOM 0 HB ILE A 4 7.047 12.917 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.793 13.957 -2.724 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.165 13.445 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.305 11.810 -3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.276 10.658 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.628 11.076 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.791 15.826 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.820 14.892 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.458 15.411 -1.588 1.00 0.00 H new ATOM 83 N PRO A 5 6.175 9.810 0.285 1.00 0.00 N ATOM 84 CA PRO A 5 6.642 8.438 0.411 1.00 0.00 C ATOM 85 C PRO A 5 7.440 8.021 -0.833 1.00 0.00 C ATOM 86 O PRO A 5 6.975 8.183 -1.961 1.00 0.00 O ATOM 87 CB PRO A 5 5.401 7.576 0.685 1.00 0.00 C ATOM 88 CG PRO A 5 4.213 8.473 0.323 1.00 0.00 C ATOM 89 CD PRO A 5 4.750 9.882 0.577 1.00 0.00 C ATOM 0 HA PRO A 5 7.342 8.311 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 5 5.409 6.668 0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.358 7.265 1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.909 8.339 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.342 8.256 0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.254 10.613 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.575 10.189 1.608 1.00 0.00 H new ATOM 97 N GLN A 6 8.663 7.520 -0.622 1.00 0.00 N ATOM 98 CA GLN A 6 9.587 7.099 -1.674 1.00 0.00 C ATOM 99 C GLN A 6 9.095 5.814 -2.356 1.00 0.00 C ATOM 100 O GLN A 6 9.656 4.730 -2.196 1.00 0.00 O ATOM 101 CB GLN A 6 11.022 7.023 -1.111 1.00 0.00 C ATOM 102 CG GLN A 6 11.346 5.876 -0.135 1.00 0.00 C ATOM 103 CD GLN A 6 10.208 5.553 0.827 1.00 0.00 C ATOM 104 OE1 GLN A 6 9.967 6.289 1.779 1.00 0.00 O ATOM 105 NE2 GLN A 6 9.445 4.504 0.539 1.00 0.00 N ATOM 0 H GLN A 6 9.046 7.394 0.315 1.00 0.00 H new ATOM 0 HA GLN A 6 9.615 7.843 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.710 6.951 -1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.235 7.965 -0.605 1.00 0.00 H new ATOM 0 HG2 GLN A 6 11.592 4.982 -0.707 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.233 6.140 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.673 3.912 -0.260 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.632 4.291 1.117 1.00 0.00 H new ATOM 114 N ILE A 7 8.018 5.950 -3.120 1.00 0.00 N ATOM 115 CA ILE A 7 7.324 4.857 -3.772 1.00 0.00 C ATOM 116 C ILE A 7 8.036 4.446 -5.065 1.00 0.00 C ATOM 117 O ILE A 7 8.141 5.230 -6.010 1.00 0.00 O ATOM 118 CB ILE A 7 5.875 5.318 -4.010 1.00 0.00 C ATOM 119 CG1 ILE A 7 5.098 5.481 -2.696 1.00 0.00 C ATOM 120 CG2 ILE A 7 5.111 4.431 -4.994 1.00 0.00 C ATOM 121 CD1 ILE A 7 4.701 4.163 -2.034 1.00 0.00 C ATOM 0 H ILE A 7 7.592 6.858 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 7 7.322 3.964 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 7 5.957 6.300 -4.476 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.705 6.057 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.197 6.063 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.097 4.812 -5.116 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.619 4.436 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.072 3.412 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.156 4.368 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.066 3.592 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.597 3.586 -1.805 1.00 0.00 H new ATOM 133 N SER A 8 8.512 3.198 -5.103 1.00 0.00 N ATOM 134 CA SER A 8 9.113 2.595 -6.285 1.00 0.00 C ATOM 135 C SER A 8 8.000 2.162 -7.245 1.00 0.00 C ATOM 136 O SER A 8 6.821 2.255 -6.911 1.00 0.00 O ATOM 137 CB SER A 8 9.956 1.386 -5.860 1.00 0.00 C ATOM 138 OG SER A 8 9.147 0.444 -5.181 1.00 0.00 O ATOM 0 H SER A 8 8.488 2.572 -4.298 1.00 0.00 H new ATOM 0 HA SER A 8 9.758 3.314 -6.791 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.410 0.923 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.771 1.710 -5.213 1.00 0.00 H new ATOM 0 HG SER A 8 9.036 0.721 -4.248 1.00 0.00 H new ATOM 144 N ASP A 9 8.353 1.651 -8.427 1.00 0.00 N ATOM 145 CA ASP A 9 7.400 1.162 -9.400 1.00 0.00 C ATOM 146 C ASP A 9 6.525 0.051 -8.805 1.00 0.00 C ATOM 147 O ASP A 9 5.301 0.118 -8.882 1.00 0.00 O ATOM 148 CB ASP A 9 8.176 0.715 -10.646 1.00 0.00 C ATOM 149 CG ASP A 9 9.001 -0.558 -10.457 1.00 0.00 C ATOM 150 OD1 ASP A 9 9.700 -0.632 -9.421 1.00 0.00 O ATOM 151 OD2 ASP A 9 8.906 -1.438 -11.338 1.00 0.00 O ATOM 0 H ASP A 9 9.324 1.569 -8.730 1.00 0.00 H new ATOM 0 HA ASP A 9 6.707 1.952 -9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.470 0.557 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.842 1.522 -10.953 1.00 0.00 H new ATOM 156 N ALA A 10 7.144 -0.957 -8.182 1.00 0.00 N ATOM 157 CA ALA A 10 6.432 -2.071 -7.566 1.00 0.00 C ATOM 158 C ALA A 10 5.452 -1.546 -6.514 1.00 0.00 C ATOM 159 O ALA A 10 4.275 -1.907 -6.501 1.00 0.00 O ATOM 160 CB ALA A 10 7.442 -3.047 -6.956 1.00 0.00 C ATOM 0 H ALA A 10 8.158 -1.019 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 10 5.855 -2.605 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.911 -3.880 -6.495 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.101 -3.425 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.035 -2.532 -6.200 1.00 0.00 H new ATOM 166 N GLU A 11 5.947 -0.675 -5.632 1.00 0.00 N ATOM 167 CA GLU A 11 5.117 -0.045 -4.620 1.00 0.00 C ATOM 168 C GLU A 11 3.970 0.719 -5.290 1.00 0.00 C ATOM 169 O GLU A 11 2.835 0.651 -4.831 1.00 0.00 O ATOM 170 CB GLU A 11 5.984 0.861 -3.742 1.00 0.00 C ATOM 171 CG GLU A 11 6.875 0.037 -2.802 1.00 0.00 C ATOM 172 CD GLU A 11 7.864 0.924 -2.054 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.633 1.611 -2.763 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.842 0.897 -0.805 1.00 0.00 O ATOM 0 H GLU A 11 6.927 -0.393 -5.604 1.00 0.00 H new ATOM 0 HA GLU A 11 4.669 -0.801 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.606 1.496 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.346 1.522 -3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.253 -0.500 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.419 -0.712 -3.377 1.00 0.00 H new ATOM 181 N LEU A 12 4.241 1.433 -6.383 1.00 0.00 N ATOM 182 CA LEU A 12 3.210 2.189 -7.071 1.00 0.00 C ATOM 183 C LEU A 12 2.131 1.248 -7.601 1.00 0.00 C ATOM 184 O LEU A 12 0.955 1.525 -7.397 1.00 0.00 O ATOM 185 CB LEU A 12 3.827 3.058 -8.182 1.00 0.00 C ATOM 186 CG LEU A 12 2.907 4.132 -8.789 1.00 0.00 C ATOM 187 CD1 LEU A 12 1.935 3.586 -9.840 1.00 0.00 C ATOM 188 CD2 LEU A 12 2.150 4.928 -7.719 1.00 0.00 C ATOM 0 H LEU A 12 5.167 1.500 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 12 2.731 2.868 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.712 3.551 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.164 2.401 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 12 3.582 4.814 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.319 4.399 -10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.498 3.140 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.295 2.829 -9.386 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.515 5.672 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.532 4.250 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.864 5.428 -7.065 1.00 0.00 H new ATOM 200 N GLU A 13 2.500 0.141 -8.260 1.00 0.00 N ATOM 201 CA GLU A 13 1.527 -0.842 -8.734 1.00 0.00 C ATOM 202 C GLU A 13 0.588 -1.230 -7.596 1.00 0.00 C ATOM 203 O GLU A 13 -0.631 -1.201 -7.736 1.00 0.00 O ATOM 204 CB GLU A 13 2.242 -2.105 -9.226 1.00 0.00 C ATOM 205 CG GLU A 13 3.040 -1.852 -10.511 1.00 0.00 C ATOM 206 CD GLU A 13 2.127 -1.552 -11.697 1.00 0.00 C ATOM 207 OE1 GLU A 13 1.543 -2.524 -12.223 1.00 0.00 O ATOM 208 OE2 GLU A 13 2.014 -0.357 -12.047 1.00 0.00 O ATOM 0 H GLU A 13 3.469 -0.093 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 13 0.962 -0.398 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.914 -2.467 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.508 -2.891 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.722 -1.015 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.653 -2.725 -10.736 1.00 0.00 H new ATOM 215 N VAL A 14 1.184 -1.599 -6.466 1.00 0.00 N ATOM 216 CA VAL A 14 0.467 -1.956 -5.256 1.00 0.00 C ATOM 217 C VAL A 14 -0.507 -0.840 -4.871 1.00 0.00 C ATOM 218 O VAL A 14 -1.696 -1.087 -4.672 1.00 0.00 O ATOM 219 CB VAL A 14 1.524 -2.248 -4.179 1.00 0.00 C ATOM 220 CG1 VAL A 14 1.039 -2.034 -2.741 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.132 -3.621 -4.454 1.00 0.00 C ATOM 0 H VAL A 14 2.198 -1.658 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.150 -2.844 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 14 2.316 -1.503 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.847 -2.263 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.732 -0.996 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.192 -2.691 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.885 -3.844 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.349 -4.379 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.597 -3.622 -5.440 1.00 0.00 H new ATOM 231 N MET A 15 -0.010 0.393 -4.781 1.00 0.00 N ATOM 232 CA MET A 15 -0.820 1.537 -4.390 1.00 0.00 C ATOM 233 C MET A 15 -1.995 1.706 -5.351 1.00 0.00 C ATOM 234 O MET A 15 -3.129 1.810 -4.905 1.00 0.00 O ATOM 235 CB MET A 15 0.045 2.796 -4.303 1.00 0.00 C ATOM 236 CG MET A 15 1.216 2.585 -3.333 1.00 0.00 C ATOM 237 SD MET A 15 1.214 3.579 -1.823 1.00 0.00 S ATOM 238 CE MET A 15 1.578 5.181 -2.552 1.00 0.00 C ATOM 0 H MET A 15 0.964 0.623 -4.978 1.00 0.00 H new ATOM 0 HA MET A 15 -1.236 1.363 -3.398 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.427 3.050 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.562 3.638 -3.970 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.235 1.533 -3.047 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.143 2.786 -3.871 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.187 5.765 -1.862 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.122 5.041 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 15 0.646 5.710 -2.751 1.00 0.00 H new ATOM 248 N LYS A 16 -1.726 1.706 -6.657 1.00 0.00 N ATOM 249 CA LYS A 16 -2.707 1.797 -7.732 1.00 0.00 C ATOM 250 C LYS A 16 -3.765 0.710 -7.575 1.00 0.00 C ATOM 251 O LYS A 16 -4.954 1.009 -7.652 1.00 0.00 O ATOM 252 CB LYS A 16 -1.959 1.690 -9.070 1.00 0.00 C ATOM 253 CG LYS A 16 -2.836 1.950 -10.299 1.00 0.00 C ATOM 254 CD LYS A 16 -2.166 1.438 -11.584 1.00 0.00 C ATOM 255 CE LYS A 16 -0.776 2.046 -11.809 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.187 1.590 -13.080 1.00 0.00 N ATOM 0 H LYS A 16 -0.771 1.639 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.233 2.751 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.132 2.401 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.523 0.694 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.801 1.460 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.031 3.019 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.080 0.352 -11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.802 1.670 -12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.849 3.134 -11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.120 1.772 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.587 0.924 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.916 1.116 -13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.184 2.408 -13.604 1.00 0.00 H new ATOM 270 N VAL A 17 -3.348 -0.541 -7.364 1.00 0.00 N ATOM 271 CA VAL A 17 -4.275 -1.639 -7.150 1.00 0.00 C ATOM 272 C VAL A 17 -5.189 -1.291 -5.970 1.00 0.00 C ATOM 273 O VAL A 17 -6.409 -1.242 -6.121 1.00 0.00 O ATOM 274 CB VAL A 17 -3.494 -2.950 -6.941 1.00 0.00 C ATOM 275 CG1 VAL A 17 -4.363 -4.024 -6.289 1.00 0.00 C ATOM 276 CG2 VAL A 17 -2.992 -3.512 -8.276 1.00 0.00 C ATOM 0 H VAL A 17 -2.365 -0.813 -7.338 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.908 -1.791 -8.024 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.654 -2.705 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.778 -4.935 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.709 -3.671 -5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.222 -4.233 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.444 -4.437 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.842 -3.713 -8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.333 -2.786 -8.752 1.00 0.00 H new ATOM 286 N ILE A 18 -4.599 -1.017 -4.804 1.00 0.00 N ATOM 287 CA ILE A 18 -5.354 -0.695 -3.598 1.00 0.00 C ATOM 288 C ILE A 18 -6.313 0.477 -3.855 1.00 0.00 C ATOM 289 O ILE A 18 -7.486 0.401 -3.494 1.00 0.00 O ATOM 290 CB ILE A 18 -4.386 -0.461 -2.420 1.00 0.00 C ATOM 291 CG1 ILE A 18 -3.645 -1.779 -2.112 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.145 0.027 -1.175 1.00 0.00 C ATOM 293 CD1 ILE A 18 -2.555 -1.644 -1.047 1.00 0.00 C ATOM 0 H ILE A 18 -3.587 -1.013 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.986 -1.538 -3.318 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.667 0.311 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.370 -2.524 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.196 -2.155 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.441 0.185 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.653 0.964 -1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.880 -0.722 -0.880 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.081 -2.612 -0.887 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.807 -0.925 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.999 -1.299 -0.113 1.00 0.00 H new ATOM 305 N TRP A 19 -5.834 1.531 -4.520 1.00 0.00 N ATOM 306 CA TRP A 19 -6.553 2.739 -4.864 1.00 0.00 C ATOM 307 C TRP A 19 -7.834 2.468 -5.669 1.00 0.00 C ATOM 308 O TRP A 19 -8.694 3.344 -5.724 1.00 0.00 O ATOM 309 CB TRP A 19 -5.563 3.689 -5.578 1.00 0.00 C ATOM 310 CG TRP A 19 -4.784 4.675 -4.737 1.00 0.00 C ATOM 311 CD1 TRP A 19 -5.205 5.252 -3.585 1.00 0.00 C ATOM 312 CD2 TRP A 19 -3.439 5.217 -4.962 1.00 0.00 C ATOM 313 NE1 TRP A 19 -4.205 6.037 -3.046 1.00 0.00 N ATOM 314 CE2 TRP A 19 -3.088 6.028 -3.846 1.00 0.00 C ATOM 315 CE3 TRP A 19 -2.478 5.130 -5.995 1.00 0.00 C ATOM 316 CZ2 TRP A 19 -1.840 6.649 -3.725 1.00 0.00 C ATOM 317 CZ3 TRP A 19 -1.218 5.748 -5.885 1.00 0.00 C ATOM 318 CH2 TRP A 19 -0.892 6.506 -4.748 1.00 0.00 C ATOM 0 H TRP A 19 -4.869 1.555 -4.850 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.921 3.220 -3.958 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.845 3.074 -6.121 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.123 4.256 -6.322 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -6.184 5.117 -3.150 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -4.285 6.555 -2.171 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -2.716 4.576 -6.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.608 7.235 -2.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.496 5.639 -6.681 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.078 6.973 -4.663 1.00 0.00 H new ATOM 329 N LYS A 20 -7.994 1.291 -6.291 1.00 0.00 N ATOM 330 CA LYS A 20 -9.242 0.969 -6.977 1.00 0.00 C ATOM 331 C LYS A 20 -10.361 0.666 -5.975 1.00 0.00 C ATOM 332 O LYS A 20 -11.533 0.875 -6.280 1.00 0.00 O ATOM 333 CB LYS A 20 -9.066 -0.239 -7.909 1.00 0.00 C ATOM 334 CG LYS A 20 -7.948 -0.077 -8.943 1.00 0.00 C ATOM 335 CD LYS A 20 -8.094 1.207 -9.768 1.00 0.00 C ATOM 336 CE LYS A 20 -7.070 1.225 -10.906 1.00 0.00 C ATOM 337 NZ LYS A 20 -7.122 2.495 -11.652 1.00 0.00 N ATOM 0 H LYS A 20 -7.284 0.560 -6.331 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.516 1.843 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.861 -1.123 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.005 -0.420 -8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.984 -0.070 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.949 -0.937 -9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.103 1.273 -10.176 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.952 2.077 -9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.069 1.080 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.262 0.394 -11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.417 2.478 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.071 2.620 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.915 3.285 -11.008 1.00 0.00 H new ATOM 351 N HIS A 21 -10.008 0.137 -4.801 1.00 0.00 N ATOM 352 CA HIS A 21 -10.956 -0.275 -3.777 1.00 0.00 C ATOM 353 C HIS A 21 -11.152 0.838 -2.743 1.00 0.00 C ATOM 354 O HIS A 21 -10.346 1.762 -2.665 1.00 0.00 O ATOM 355 CB HIS A 21 -10.427 -1.553 -3.118 1.00 0.00 C ATOM 356 CG HIS A 21 -10.134 -2.666 -4.089 1.00 0.00 C ATOM 357 ND1 HIS A 21 -11.130 -3.548 -4.507 1.00 0.00 N ATOM 358 CD2 HIS A 21 -8.954 -3.012 -4.691 1.00 0.00 C ATOM 359 CE1 HIS A 21 -10.512 -4.388 -5.341 1.00 0.00 C ATOM 360 NE2 HIS A 21 -9.207 -4.111 -5.485 1.00 0.00 N ATOM 0 H HIS A 21 -9.035 -0.018 -4.536 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.929 -0.472 -4.227 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.517 -1.316 -2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.158 -1.903 -2.389 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.002 -2.517 -4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.009 -5.203 -5.846 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -8.536 -4.613 -6.066 1.00 0.00 H new ATOM 368 N SER A 22 -12.220 0.764 -1.939 1.00 0.00 N ATOM 369 CA SER A 22 -12.473 1.738 -0.885 1.00 0.00 C ATOM 370 C SER A 22 -11.386 1.548 0.171 1.00 0.00 C ATOM 371 O SER A 22 -10.659 2.474 0.528 1.00 0.00 O ATOM 372 CB SER A 22 -13.866 1.452 -0.316 1.00 0.00 C ATOM 373 OG SER A 22 -14.046 0.046 -0.219 1.00 0.00 O ATOM 0 H SER A 22 -12.925 0.030 -2.005 1.00 0.00 H new ATOM 0 HA SER A 22 -12.448 2.768 -1.242 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.974 1.914 0.665 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.632 1.886 -0.959 1.00 0.00 H new ATOM 0 HG SER A 22 -14.935 -0.146 0.146 1.00 0.00 H new ATOM 379 N SER A 23 -11.318 0.348 0.743 1.00 0.00 N ATOM 380 CA SER A 23 -10.100 -0.098 1.398 1.00 0.00 C ATOM 381 C SER A 23 -9.847 -1.514 0.870 1.00 0.00 C ATOM 382 O SER A 23 -10.494 -1.900 -0.101 1.00 0.00 O ATOM 383 CB SER A 23 -10.355 -0.007 2.904 1.00 0.00 C ATOM 384 OG SER A 23 -10.549 1.353 3.243 1.00 0.00 O ATOM 0 H SER A 23 -12.085 -0.324 0.764 1.00 0.00 H new ATOM 0 HA SER A 23 -9.208 0.495 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.232 -0.594 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.511 -0.419 3.457 1.00 0.00 H new ATOM 0 HG SER A 23 -10.465 1.906 2.438 1.00 0.00 H new ATOM 390 N ILE A 24 -9.057 -2.353 1.543 1.00 0.00 N ATOM 391 CA ILE A 24 -8.926 -3.766 1.179 1.00 0.00 C ATOM 392 C ILE A 24 -8.530 -4.590 2.406 1.00 0.00 C ATOM 393 O ILE A 24 -7.729 -4.069 3.184 1.00 0.00 O ATOM 394 CB ILE A 24 -7.991 -3.901 -0.034 1.00 0.00 C ATOM 395 CG1 ILE A 24 -7.981 -5.342 -0.560 1.00 0.00 C ATOM 396 CG2 ILE A 24 -6.580 -3.405 0.298 1.00 0.00 C ATOM 397 CD1 ILE A 24 -7.523 -5.421 -2.018 1.00 0.00 C ATOM 0 H ILE A 24 -8.495 -2.076 2.348 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.881 -4.181 0.858 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.375 -3.266 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.321 -5.949 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.981 -5.766 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.941 -3.513 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.622 -2.356 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.171 -3.993 1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.532 -6.460 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.198 -4.837 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.512 -5.022 -2.104 1.00 0.00 H new ATOM 409 N ASN A 25 -9.011 -5.831 2.607 1.00 0.00 N ATOM 410 CA ASN A 25 -8.494 -6.634 3.727 1.00 0.00 C ATOM 411 C ASN A 25 -7.185 -7.305 3.325 1.00 0.00 C ATOM 412 O ASN A 25 -6.883 -7.437 2.143 1.00 0.00 O ATOM 413 CB ASN A 25 -9.486 -7.624 4.360 1.00 0.00 C ATOM 414 CG ASN A 25 -9.770 -8.875 3.541 1.00 0.00 C ATOM 415 OD1 ASN A 25 -8.852 -9.598 3.169 1.00 0.00 O ATOM 416 ND2 ASN A 25 -11.042 -9.182 3.308 1.00 0.00 N ATOM 0 H ASN A 25 -9.725 -6.283 2.036 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.312 -5.925 4.535 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.100 -7.927 5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.428 -7.105 4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.276 -10.039 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.784 -8.560 3.630 1.00 0.00 H new ATOM 423 N THR A 26 -6.397 -7.742 4.306 1.00 0.00 N ATOM 424 CA THR A 26 -5.089 -8.321 4.019 1.00 0.00 C ATOM 425 C THR A 26 -5.150 -9.593 3.159 1.00 0.00 C ATOM 426 O THR A 26 -4.267 -9.801 2.329 1.00 0.00 O ATOM 427 CB THR A 26 -4.284 -8.523 5.316 1.00 0.00 C ATOM 428 OG1 THR A 26 -4.265 -7.342 6.098 1.00 0.00 O ATOM 429 CG2 THR A 26 -2.820 -8.861 5.010 1.00 0.00 C ATOM 0 H THR A 26 -6.639 -7.706 5.296 1.00 0.00 H new ATOM 0 HA THR A 26 -4.557 -7.597 3.402 1.00 0.00 H new ATOM 0 HB THR A 26 -4.771 -9.338 5.852 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.528 -6.767 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.275 -8.998 5.944 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.773 -9.779 4.424 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.369 -8.046 4.444 1.00 0.00 H new ATOM 437 N ASN A 27 -6.160 -10.454 3.320 1.00 0.00 N ATOM 438 CA ASN A 27 -6.242 -11.646 2.478 1.00 0.00 C ATOM 439 C ASN A 27 -6.433 -11.211 1.026 1.00 0.00 C ATOM 440 O ASN A 27 -5.682 -11.623 0.142 1.00 0.00 O ATOM 441 CB ASN A 27 -7.370 -12.577 2.934 1.00 0.00 C ATOM 442 CG ASN A 27 -7.526 -13.743 1.962 1.00 0.00 C ATOM 443 OD1 ASN A 27 -8.460 -13.777 1.170 1.00 0.00 O ATOM 444 ND2 ASN A 27 -6.609 -14.705 2.005 1.00 0.00 N ATOM 0 H ASN A 27 -6.910 -10.352 4.004 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.315 -12.213 2.566 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -7.156 -12.955 3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.305 -12.021 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.672 -15.499 1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.842 -14.649 2.676 1.00 0.00 H new ATOM 451 N GLU A 28 -7.424 -10.343 0.810 1.00 0.00 N ATOM 452 CA GLU A 28 -7.736 -9.753 -0.481 1.00 0.00 C ATOM 453 C GLU A 28 -6.478 -9.121 -1.080 1.00 0.00 C ATOM 454 O GLU A 28 -6.135 -9.405 -2.226 1.00 0.00 O ATOM 455 CB GLU A 28 -8.831 -8.693 -0.294 1.00 0.00 C ATOM 456 CG GLU A 28 -10.204 -9.297 0.000 1.00 0.00 C ATOM 457 CD GLU A 28 -11.239 -8.222 0.338 1.00 0.00 C ATOM 458 OE1 GLU A 28 -10.829 -7.177 0.895 1.00 0.00 O ATOM 459 OE2 GLU A 28 -12.429 -8.474 0.050 1.00 0.00 O ATOM 0 H GLU A 28 -8.046 -10.026 1.554 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.094 -10.523 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.550 -8.029 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.894 -8.082 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.542 -9.868 -0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.122 -9.997 0.832 1.00 0.00 H new ATOM 466 N VAL A 29 -5.794 -8.270 -0.307 1.00 0.00 N ATOM 467 CA VAL A 29 -4.610 -7.573 -0.783 1.00 0.00 C ATOM 468 C VAL A 29 -3.544 -8.577 -1.208 1.00 0.00 C ATOM 469 O VAL A 29 -3.095 -8.523 -2.348 1.00 0.00 O ATOM 470 CB VAL A 29 -4.116 -6.508 0.230 1.00 0.00 C ATOM 471 CG1 VAL A 29 -2.925 -6.903 1.109 1.00 0.00 C ATOM 472 CG2 VAL A 29 -3.667 -5.239 -0.497 1.00 0.00 C ATOM 0 H VAL A 29 -6.048 -8.051 0.656 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.868 -7.001 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.987 -6.375 0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.674 -6.077 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.185 -7.780 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.067 -7.134 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.324 -4.504 0.232 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.853 -5.480 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.504 -4.827 -1.061 1.00 0.00 H new ATOM 482 N ILE A 30 -3.159 -9.513 -0.331 1.00 0.00 N ATOM 483 CA ILE A 30 -2.114 -10.470 -0.664 1.00 0.00 C ATOM 484 C ILE A 30 -2.502 -11.259 -1.913 1.00 0.00 C ATOM 485 O ILE A 30 -1.702 -11.351 -2.843 1.00 0.00 O ATOM 486 CB ILE A 30 -1.739 -11.341 0.555 1.00 0.00 C ATOM 487 CG1 ILE A 30 -0.993 -10.439 1.560 1.00 0.00 C ATOM 488 CG2 ILE A 30 -0.847 -12.528 0.151 1.00 0.00 C ATOM 489 CD1 ILE A 30 -0.488 -11.143 2.819 1.00 0.00 C ATOM 0 H ILE A 30 -3.555 -9.622 0.603 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.197 -9.938 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.644 -11.757 0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.143 -9.983 1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.658 -9.628 1.859 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.604 -13.118 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.377 -13.153 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.072 -12.155 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.021 -10.423 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.332 -11.574 3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.207 -11.935 2.539 1.00 0.00 H new ATOM 501 N LYS A 31 -3.724 -11.794 -1.954 1.00 0.00 N ATOM 502 CA LYS A 31 -4.216 -12.557 -3.091 1.00 0.00 C ATOM 503 C LYS A 31 -4.092 -11.739 -4.385 1.00 0.00 C ATOM 504 O LYS A 31 -3.462 -12.175 -5.351 1.00 0.00 O ATOM 505 CB LYS A 31 -5.666 -12.973 -2.797 1.00 0.00 C ATOM 506 CG LYS A 31 -6.270 -13.946 -3.816 1.00 0.00 C ATOM 507 CD LYS A 31 -5.496 -15.272 -3.845 1.00 0.00 C ATOM 508 CE LYS A 31 -6.279 -16.372 -4.572 1.00 0.00 C ATOM 509 NZ LYS A 31 -7.468 -16.800 -3.812 1.00 0.00 N ATOM 0 H LYS A 31 -4.399 -11.707 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.617 -13.455 -3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.705 -13.432 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.286 -12.077 -2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.314 -14.137 -3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.257 -13.493 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.536 -15.122 -4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.283 -15.591 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.587 -16.010 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.628 -17.230 -4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.831 -17.690 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.209 -16.945 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.203 -16.067 -3.876 1.00 0.00 H new ATOM 523 N GLU A 32 -4.689 -10.545 -4.392 1.00 0.00 N ATOM 524 CA GLU A 32 -4.709 -9.650 -5.538 1.00 0.00 C ATOM 525 C GLU A 32 -3.289 -9.314 -6.000 1.00 0.00 C ATOM 526 O GLU A 32 -2.945 -9.528 -7.163 1.00 0.00 O ATOM 527 CB GLU A 32 -5.518 -8.401 -5.167 1.00 0.00 C ATOM 528 CG GLU A 32 -5.732 -7.454 -6.355 1.00 0.00 C ATOM 529 CD GLU A 32 -6.662 -6.303 -5.979 1.00 0.00 C ATOM 530 OE1 GLU A 32 -6.479 -5.758 -4.870 1.00 0.00 O ATOM 531 OE2 GLU A 32 -7.542 -5.974 -6.804 1.00 0.00 O ATOM 0 H GLU A 32 -5.181 -10.171 -3.581 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.191 -10.137 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.487 -8.706 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.004 -7.865 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.772 -7.057 -6.685 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.154 -8.007 -7.194 1.00 0.00 H new ATOM 538 N LEU A 33 -2.449 -8.797 -5.099 1.00 0.00 N ATOM 539 CA LEU A 33 -1.092 -8.436 -5.396 1.00 0.00 C ATOM 540 C LEU A 33 -0.362 -9.642 -5.987 1.00 0.00 C ATOM 541 O LEU A 33 0.191 -9.520 -7.078 1.00 0.00 O ATOM 542 CB LEU A 33 -0.473 -7.912 -4.102 1.00 0.00 C ATOM 543 CG LEU A 33 -0.570 -6.387 -3.947 1.00 0.00 C ATOM 544 CD1 LEU A 33 -2.001 -5.864 -4.050 1.00 0.00 C ATOM 545 CD2 LEU A 33 0.017 -5.980 -2.593 1.00 0.00 C ATOM 0 H LEU A 33 -2.714 -8.621 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.021 -7.650 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.967 -8.387 -3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.576 -8.206 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.007 -5.945 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.002 -4.780 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.414 -6.123 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.610 -6.314 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.049 -4.898 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.543 -6.465 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.062 -6.287 -2.542 1.00 0.00 H new ATOM 557 N SER A 34 -0.425 -10.803 -5.321 1.00 0.00 N ATOM 558 CA SER A 34 0.200 -12.030 -5.806 1.00 0.00 C ATOM 559 C SER A 34 -0.224 -12.342 -7.244 1.00 0.00 C ATOM 560 O SER A 34 0.601 -12.761 -8.053 1.00 0.00 O ATOM 561 CB SER A 34 -0.129 -13.215 -4.891 1.00 0.00 C ATOM 562 OG SER A 34 0.332 -12.981 -3.576 1.00 0.00 O ATOM 0 H SER A 34 -0.912 -10.913 -4.431 1.00 0.00 H new ATOM 0 HA SER A 34 1.278 -11.870 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.206 -13.382 -4.879 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.329 -14.122 -5.285 1.00 0.00 H new ATOM 0 HG SER A 34 -0.350 -12.490 -3.073 1.00 0.00 H new ATOM 568 N LYS A 35 -1.511 -12.159 -7.565 1.00 0.00 N ATOM 569 CA LYS A 35 -1.999 -12.384 -8.920 1.00 0.00 C ATOM 570 C LYS A 35 -1.347 -11.396 -9.887 1.00 0.00 C ATOM 571 O LYS A 35 -0.862 -11.794 -10.943 1.00 0.00 O ATOM 572 CB LYS A 35 -3.532 -12.250 -8.982 1.00 0.00 C ATOM 573 CG LYS A 35 -4.233 -13.613 -9.036 1.00 0.00 C ATOM 574 CD LYS A 35 -4.065 -14.414 -7.738 1.00 0.00 C ATOM 575 CE LYS A 35 -4.536 -15.863 -7.915 1.00 0.00 C ATOM 576 NZ LYS A 35 -5.941 -15.941 -8.352 1.00 0.00 N ATOM 0 H LYS A 35 -2.226 -11.857 -6.904 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.731 -13.399 -9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.882 -11.698 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.808 -11.667 -9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.295 -13.464 -9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.833 -14.190 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.018 -14.404 -7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.634 -13.939 -6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.901 -16.363 -8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.420 -16.399 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.263 -16.929 -8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.532 -15.359 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.021 -15.590 -9.328 1.00 0.00 H new ATOM 590 N THR A 36 -1.355 -10.106 -9.546 1.00 0.00 N ATOM 591 CA THR A 36 -0.814 -9.086 -10.437 1.00 0.00 C ATOM 592 C THR A 36 0.693 -9.261 -10.663 1.00 0.00 C ATOM 593 O THR A 36 1.176 -9.080 -11.780 1.00 0.00 O ATOM 594 CB THR A 36 -1.201 -7.685 -9.945 1.00 0.00 C ATOM 595 OG1 THR A 36 -0.713 -7.429 -8.645 1.00 0.00 O ATOM 596 CG2 THR A 36 -2.727 -7.529 -9.949 1.00 0.00 C ATOM 0 H THR A 36 -1.727 -9.748 -8.666 1.00 0.00 H new ATOM 0 HA THR A 36 -1.265 -9.211 -11.421 1.00 0.00 H new ATOM 0 HB THR A 36 -0.748 -6.966 -10.627 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.421 -8.269 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.992 -6.531 -9.598 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.104 -7.670 -10.962 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.171 -8.275 -9.290 1.00 0.00 H new ATOM 604 N SER A 37 1.465 -9.529 -9.610 1.00 0.00 N ATOM 605 CA SER A 37 2.888 -9.817 -9.702 1.00 0.00 C ATOM 606 C SER A 37 3.236 -10.804 -8.593 1.00 0.00 C ATOM 607 O SER A 37 2.748 -10.656 -7.476 1.00 0.00 O ATOM 608 CB SER A 37 3.689 -8.521 -9.615 1.00 0.00 C ATOM 609 OG SER A 37 3.478 -7.750 -10.783 1.00 0.00 O ATOM 0 H SER A 37 1.109 -9.551 -8.655 1.00 0.00 H new ATOM 0 HA SER A 37 3.143 -10.269 -10.661 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.387 -7.954 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.750 -8.745 -9.502 1.00 0.00 H new ATOM 0 HG SER A 37 2.788 -8.174 -11.334 1.00 0.00 H new ATOM 615 N THR A 38 4.092 -11.787 -8.873 1.00 0.00 N ATOM 616 CA THR A 38 4.435 -12.844 -7.935 1.00 0.00 C ATOM 617 C THR A 38 5.358 -12.361 -6.810 1.00 0.00 C ATOM 618 O THR A 38 6.497 -12.814 -6.705 1.00 0.00 O ATOM 619 CB THR A 38 5.058 -13.997 -8.733 1.00 0.00 C ATOM 620 OG1 THR A 38 6.129 -13.485 -9.498 1.00 0.00 O ATOM 621 CG2 THR A 38 4.038 -14.636 -9.682 1.00 0.00 C ATOM 0 H THR A 38 4.570 -11.868 -9.770 1.00 0.00 H new ATOM 0 HA THR A 38 3.531 -13.184 -7.430 1.00 0.00 H new ATOM 0 HB THR A 38 5.400 -14.759 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.795 -13.085 -8.901 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.512 -15.449 -10.232 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.200 -15.028 -9.105 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.675 -13.886 -10.385 1.00 0.00 H new ATOM 629 N TRP A 39 4.874 -11.437 -5.979 1.00 0.00 N ATOM 630 CA TRP A 39 5.552 -10.972 -4.784 1.00 0.00 C ATOM 631 C TRP A 39 5.129 -11.926 -3.667 1.00 0.00 C ATOM 632 O TRP A 39 3.946 -12.237 -3.547 1.00 0.00 O ATOM 633 CB TRP A 39 5.122 -9.530 -4.489 1.00 0.00 C ATOM 634 CG TRP A 39 5.519 -8.506 -5.509 1.00 0.00 C ATOM 635 CD1 TRP A 39 6.761 -8.354 -6.020 1.00 0.00 C ATOM 636 CD2 TRP A 39 4.698 -7.483 -6.153 1.00 0.00 C ATOM 637 NE1 TRP A 39 6.772 -7.329 -6.942 1.00 0.00 N ATOM 638 CE2 TRP A 39 5.522 -6.762 -7.069 1.00 0.00 C ATOM 639 CE3 TRP A 39 3.342 -7.095 -6.071 1.00 0.00 C ATOM 640 CZ2 TRP A 39 5.025 -5.729 -7.875 1.00 0.00 C ATOM 641 CZ3 TRP A 39 2.833 -6.056 -6.876 1.00 0.00 C ATOM 642 CH2 TRP A 39 3.667 -5.392 -7.791 1.00 0.00 C ATOM 0 H TRP A 39 3.973 -10.983 -6.129 1.00 0.00 H new ATOM 0 HA TRP A 39 6.637 -10.967 -4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.037 -9.509 -4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.540 -9.237 -3.526 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.620 -8.949 -5.746 1.00 0.00 H new ATOM 0 HE1 TRP A 39 7.597 -7.030 -7.462 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.685 -7.603 -5.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.679 -5.200 -8.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.796 -5.769 -6.789 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.262 -4.621 -8.430 1.00 0.00 H new ATOM 653 N SER A 40 6.073 -12.435 -2.870 1.00 0.00 N ATOM 654 CA SER A 40 5.716 -13.366 -1.807 1.00 0.00 C ATOM 655 C SER A 40 4.873 -12.649 -0.746 1.00 0.00 C ATOM 656 O SER A 40 4.949 -11.423 -0.650 1.00 0.00 O ATOM 657 CB SER A 40 6.989 -13.955 -1.183 1.00 0.00 C ATOM 658 OG SER A 40 7.690 -12.978 -0.431 1.00 0.00 O ATOM 0 H SER A 40 7.068 -12.222 -2.941 1.00 0.00 H new ATOM 0 HA SER A 40 5.125 -14.181 -2.223 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.727 -14.794 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.635 -14.346 -1.969 1.00 0.00 H new ATOM 0 HG SER A 40 8.496 -13.380 -0.043 1.00 0.00 H new ATOM 664 N PRO A 41 4.101 -13.376 0.081 1.00 0.00 N ATOM 665 CA PRO A 41 3.385 -12.780 1.197 1.00 0.00 C ATOM 666 C PRO A 41 4.327 -11.907 2.028 1.00 0.00 C ATOM 667 O PRO A 41 3.993 -10.774 2.347 1.00 0.00 O ATOM 668 CB PRO A 41 2.813 -13.956 1.991 1.00 0.00 C ATOM 669 CG PRO A 41 2.568 -14.989 0.892 1.00 0.00 C ATOM 670 CD PRO A 41 3.772 -14.788 -0.032 1.00 0.00 C ATOM 0 HA PRO A 41 2.583 -12.116 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.512 -14.319 2.744 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.894 -13.688 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.528 -16.003 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.626 -14.813 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.611 -15.414 0.271 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.529 -15.056 -1.060 1.00 0.00 H new ATOM 678 N LYS A 42 5.532 -12.408 2.324 1.00 0.00 N ATOM 679 CA LYS A 42 6.539 -11.651 3.055 1.00 0.00 C ATOM 680 C LYS A 42 6.870 -10.346 2.320 1.00 0.00 C ATOM 681 O LYS A 42 6.897 -9.281 2.937 1.00 0.00 O ATOM 682 CB LYS A 42 7.795 -12.505 3.268 1.00 0.00 C ATOM 683 CG LYS A 42 7.489 -13.751 4.113 1.00 0.00 C ATOM 684 CD LYS A 42 8.767 -14.461 4.582 1.00 0.00 C ATOM 685 CE LYS A 42 9.599 -15.003 3.414 1.00 0.00 C ATOM 686 NZ LYS A 42 10.752 -15.784 3.897 1.00 0.00 N ATOM 0 H LYS A 42 5.830 -13.348 2.062 1.00 0.00 H new ATOM 0 HA LYS A 42 6.140 -11.388 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.198 -12.809 2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.563 -11.909 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.896 -13.463 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.883 -14.444 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.373 -13.766 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.499 -15.283 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.973 -15.629 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.950 -14.174 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.296 -16.138 3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.360 -15.178 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.414 -16.588 4.464 1.00 0.00 H new ATOM 700 N THR A 43 7.117 -10.417 1.006 1.00 0.00 N ATOM 701 CA THR A 43 7.399 -9.226 0.208 1.00 0.00 C ATOM 702 C THR A 43 6.247 -8.228 0.360 1.00 0.00 C ATOM 703 O THR A 43 6.460 -7.076 0.730 1.00 0.00 O ATOM 704 CB THR A 43 7.615 -9.599 -1.269 1.00 0.00 C ATOM 705 OG1 THR A 43 8.617 -10.583 -1.397 1.00 0.00 O ATOM 706 CG2 THR A 43 8.039 -8.395 -2.113 1.00 0.00 C ATOM 0 H THR A 43 7.126 -11.289 0.476 1.00 0.00 H new ATOM 0 HA THR A 43 8.318 -8.762 0.567 1.00 0.00 H new ATOM 0 HB THR A 43 6.657 -9.974 -1.628 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.278 -11.440 -1.064 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.180 -8.707 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.266 -7.628 -2.067 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.974 -7.991 -1.726 1.00 0.00 H new ATOM 714 N ILE A 44 5.020 -8.684 0.098 1.00 0.00 N ATOM 715 CA ILE A 44 3.819 -7.864 0.176 1.00 0.00 C ATOM 716 C ILE A 44 3.706 -7.214 1.556 1.00 0.00 C ATOM 717 O ILE A 44 3.492 -6.009 1.665 1.00 0.00 O ATOM 718 CB ILE A 44 2.591 -8.705 -0.214 1.00 0.00 C ATOM 719 CG1 ILE A 44 2.684 -9.053 -1.714 1.00 0.00 C ATOM 720 CG2 ILE A 44 1.313 -7.920 0.108 1.00 0.00 C ATOM 721 CD1 ILE A 44 1.743 -10.182 -2.140 1.00 0.00 C ATOM 0 H ILE A 44 4.835 -9.648 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 44 3.876 -7.042 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 44 2.563 -9.635 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.458 -8.162 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.709 -9.338 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.442 -8.514 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.280 -7.701 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.308 -6.986 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.863 -10.372 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.983 -11.086 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.712 -9.893 -1.937 1.00 0.00 H new ATOM 733 N GLN A 45 3.867 -8.006 2.613 1.00 0.00 N ATOM 734 CA GLN A 45 3.814 -7.529 3.984 1.00 0.00 C ATOM 735 C GLN A 45 4.895 -6.473 4.220 1.00 0.00 C ATOM 736 O GLN A 45 4.624 -5.465 4.868 1.00 0.00 O ATOM 737 CB GLN A 45 3.891 -8.720 4.942 1.00 0.00 C ATOM 738 CG GLN A 45 2.596 -9.545 4.834 1.00 0.00 C ATOM 739 CD GLN A 45 2.717 -10.898 5.526 1.00 0.00 C ATOM 740 OE1 GLN A 45 2.506 -11.942 4.918 1.00 0.00 O ATOM 741 NE2 GLN A 45 3.059 -10.897 6.812 1.00 0.00 N ATOM 0 H GLN A 45 4.040 -9.008 2.536 1.00 0.00 H new ATOM 0 HA GLN A 45 2.864 -7.031 4.180 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.753 -9.341 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.028 -8.370 5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.772 -8.985 5.276 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.350 -9.697 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.229 -10.014 7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.151 -11.779 7.316 1.00 0.00 H new ATOM 750 N THR A 46 6.100 -6.669 3.677 1.00 0.00 N ATOM 751 CA THR A 46 7.163 -5.678 3.792 1.00 0.00 C ATOM 752 C THR A 46 6.726 -4.372 3.113 1.00 0.00 C ATOM 753 O THR A 46 6.822 -3.303 3.712 1.00 0.00 O ATOM 754 CB THR A 46 8.482 -6.223 3.218 1.00 0.00 C ATOM 755 OG1 THR A 46 8.791 -7.463 3.822 1.00 0.00 O ATOM 756 CG2 THR A 46 9.646 -5.266 3.494 1.00 0.00 C ATOM 0 H THR A 46 6.359 -7.506 3.155 1.00 0.00 H new ATOM 0 HA THR A 46 7.347 -5.462 4.844 1.00 0.00 H new ATOM 0 HB THR A 46 8.349 -6.335 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.190 -8.155 3.474 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.564 -5.679 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.440 -4.300 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.763 -5.137 4.570 1.00 0.00 H new ATOM 764 N MET A 47 6.237 -4.447 1.870 1.00 0.00 N ATOM 765 CA MET A 47 5.764 -3.278 1.135 1.00 0.00 C ATOM 766 C MET A 47 4.686 -2.543 1.943 1.00 0.00 C ATOM 767 O MET A 47 4.790 -1.338 2.172 1.00 0.00 O ATOM 768 CB MET A 47 5.256 -3.705 -0.249 1.00 0.00 C ATOM 769 CG MET A 47 6.384 -4.300 -1.104 1.00 0.00 C ATOM 770 SD MET A 47 5.856 -5.078 -2.653 1.00 0.00 S ATOM 771 CE MET A 47 5.682 -3.615 -3.690 1.00 0.00 C ATOM 0 H MET A 47 6.160 -5.321 1.349 1.00 0.00 H new ATOM 0 HA MET A 47 6.588 -2.581 0.986 1.00 0.00 H new ATOM 0 HB2 MET A 47 4.459 -4.440 -0.134 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.825 -2.845 -0.761 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.095 -3.508 -1.339 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.917 -5.041 -0.508 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.309 -3.907 -4.672 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.980 -2.922 -3.227 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.652 -3.130 -3.800 1.00 0.00 H new ATOM 781 N LEU A 48 3.661 -3.275 2.394 1.00 0.00 N ATOM 782 CA LEU A 48 2.593 -2.726 3.222 1.00 0.00 C ATOM 783 C LEU A 48 3.201 -2.016 4.433 1.00 0.00 C ATOM 784 O LEU A 48 2.938 -0.838 4.655 1.00 0.00 O ATOM 785 CB LEU A 48 1.641 -3.846 3.675 1.00 0.00 C ATOM 786 CG LEU A 48 0.741 -4.381 2.549 1.00 0.00 C ATOM 787 CD1 LEU A 48 0.212 -5.768 2.924 1.00 0.00 C ATOM 788 CD2 LEU A 48 -0.459 -3.459 2.313 1.00 0.00 C ATOM 0 H LEU A 48 3.553 -4.269 2.191 1.00 0.00 H new ATOM 0 HA LEU A 48 2.019 -2.006 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.229 -4.669 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.013 -3.473 4.484 1.00 0.00 H new ATOM 0 HG LEU A 48 1.341 -4.430 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.425 -6.143 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.050 -6.450 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.366 -5.700 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.077 -3.864 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.050 -3.390 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.106 -2.467 2.033 1.00 0.00 H new ATOM 800 N LEU A 49 4.026 -2.729 5.204 1.00 0.00 N ATOM 801 CA LEU A 49 4.697 -2.211 6.388 1.00 0.00 C ATOM 802 C LEU A 49 5.422 -0.897 6.086 1.00 0.00 C ATOM 803 O LEU A 49 5.261 0.073 6.826 1.00 0.00 O ATOM 804 CB LEU A 49 5.610 -3.306 6.957 1.00 0.00 C ATOM 805 CG LEU A 49 6.415 -2.871 8.192 1.00 0.00 C ATOM 806 CD1 LEU A 49 6.494 -4.024 9.199 1.00 0.00 C ATOM 807 CD2 LEU A 49 7.840 -2.475 7.789 1.00 0.00 C ATOM 0 H LEU A 49 4.248 -3.706 5.013 1.00 0.00 H new ATOM 0 HA LEU A 49 3.967 -1.958 7.157 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.002 -4.172 7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.303 -3.627 6.179 1.00 0.00 H new ATOM 0 HG LEU A 49 5.911 -2.016 8.643 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.066 -3.707 10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.488 -4.306 9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.984 -4.880 8.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.397 -2.169 8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.337 -3.327 7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.801 -1.647 7.081 1.00 0.00 H new ATOM 819 N ARG A 50 6.207 -0.853 5.005 1.00 0.00 N ATOM 820 CA ARG A 50 6.946 0.341 4.611 1.00 0.00 C ATOM 821 C ARG A 50 5.995 1.529 4.454 1.00 0.00 C ATOM 822 O ARG A 50 6.121 2.525 5.166 1.00 0.00 O ATOM 823 CB ARG A 50 7.747 0.079 3.333 1.00 0.00 C ATOM 824 CG ARG A 50 8.885 -0.909 3.600 1.00 0.00 C ATOM 825 CD ARG A 50 10.169 -0.186 4.011 1.00 0.00 C ATOM 826 NE ARG A 50 11.250 -1.142 4.293 1.00 0.00 N ATOM 827 CZ ARG A 50 11.975 -1.795 3.373 1.00 0.00 C ATOM 828 NH1 ARG A 50 11.758 -1.597 2.069 1.00 0.00 N ATOM 829 NH2 ARG A 50 12.920 -2.653 3.770 1.00 0.00 N ATOM 0 H ARG A 50 6.345 -1.648 4.381 1.00 0.00 H new ATOM 0 HA ARG A 50 7.659 0.592 5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.088 -0.318 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.154 1.017 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.589 -1.603 4.387 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.071 -1.502 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.478 0.492 3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.979 0.424 4.894 1.00 0.00 H new ATOM 0 HE ARG A 50 11.467 -1.324 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.035 -0.944 1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.315 -2.099 1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.084 -2.806 4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.477 -3.155 3.078 1.00 0.00 H new ATOM 843 N LEU A 51 5.036 1.429 3.530 1.00 0.00 N ATOM 844 CA LEU A 51 4.035 2.425 3.276 1.00 0.00 C ATOM 845 C LEU A 51 3.333 2.838 4.570 1.00 0.00 C ATOM 846 O LEU A 51 3.234 4.028 4.851 1.00 0.00 O ATOM 847 CB LEU A 51 3.097 1.770 2.263 1.00 0.00 C ATOM 848 CG LEU A 51 3.582 1.897 0.815 1.00 0.00 C ATOM 849 CD1 LEU A 51 5.074 1.654 0.557 1.00 0.00 C ATOM 850 CD2 LEU A 51 2.746 0.983 -0.088 1.00 0.00 C ATOM 0 H LEU A 51 4.947 0.614 2.924 1.00 0.00 H new ATOM 0 HA LEU A 51 4.444 3.355 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.987 0.714 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.109 2.222 2.349 1.00 0.00 H new ATOM 0 HG LEU A 51 3.442 2.952 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.284 1.775 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.664 2.372 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.337 0.642 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.092 1.074 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.854 -0.051 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.697 1.275 -0.030 1.00 0.00 H new ATOM 862 N ILE A 52 2.852 1.881 5.366 1.00 0.00 N ATOM 863 CA ILE A 52 2.170 2.173 6.622 1.00 0.00 C ATOM 864 C ILE A 52 3.066 3.033 7.516 1.00 0.00 C ATOM 865 O ILE A 52 2.642 4.099 7.961 1.00 0.00 O ATOM 866 CB ILE A 52 1.709 0.868 7.296 1.00 0.00 C ATOM 867 CG1 ILE A 52 0.596 0.222 6.453 1.00 0.00 C ATOM 868 CG2 ILE A 52 1.191 1.119 8.721 1.00 0.00 C ATOM 869 CD1 ILE A 52 0.426 -1.266 6.767 1.00 0.00 C ATOM 0 H ILE A 52 2.925 0.885 5.156 1.00 0.00 H new ATOM 0 HA ILE A 52 1.268 2.754 6.429 1.00 0.00 H new ATOM 0 HB ILE A 52 2.568 0.201 7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.345 0.741 6.637 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.826 0.345 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.875 0.175 9.165 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.986 1.556 9.325 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.344 1.805 8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.370 -1.680 6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.358 -1.791 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.169 -1.389 7.819 1.00 0.00 H new ATOM 881 N LYS A 53 4.309 2.606 7.762 1.00 0.00 N ATOM 882 CA LYS A 53 5.237 3.383 8.576 1.00 0.00 C ATOM 883 C LYS A 53 5.421 4.787 7.994 1.00 0.00 C ATOM 884 O LYS A 53 5.462 5.762 8.740 1.00 0.00 O ATOM 885 CB LYS A 53 6.583 2.664 8.712 1.00 0.00 C ATOM 886 CG LYS A 53 6.460 1.426 9.608 1.00 0.00 C ATOM 887 CD LYS A 53 7.727 0.560 9.604 1.00 0.00 C ATOM 888 CE LYS A 53 8.971 1.261 10.169 1.00 0.00 C ATOM 889 NZ LYS A 53 9.690 2.039 9.143 1.00 0.00 N ATOM 0 H LYS A 53 4.691 1.729 7.408 1.00 0.00 H new ATOM 0 HA LYS A 53 4.811 3.483 9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.942 2.369 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.323 3.347 9.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.245 1.742 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.614 0.825 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.538 -0.343 10.184 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.935 0.244 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.674 1.923 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.643 0.516 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.683 1.733 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.247 1.883 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.648 3.050 9.381 1.00 0.00 H new ATOM 903 N LYS A 54 5.508 4.901 6.664 1.00 0.00 N ATOM 904 CA LYS A 54 5.656 6.190 5.998 1.00 0.00 C ATOM 905 C LYS A 54 4.330 6.975 5.925 1.00 0.00 C ATOM 906 O LYS A 54 4.272 8.013 5.271 1.00 0.00 O ATOM 907 CB LYS A 54 6.283 5.990 4.604 1.00 0.00 C ATOM 908 CG LYS A 54 7.477 6.921 4.346 1.00 0.00 C ATOM 909 CD LYS A 54 7.110 8.410 4.413 1.00 0.00 C ATOM 910 CE LYS A 54 8.343 9.279 4.158 1.00 0.00 C ATOM 911 NZ LYS A 54 8.027 10.707 4.331 1.00 0.00 N ATOM 0 H LYS A 54 5.478 4.105 6.027 1.00 0.00 H new ATOM 0 HA LYS A 54 6.329 6.802 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.608 4.954 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.523 6.162 3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.257 6.713 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.895 6.701 3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.341 8.634 3.674 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.690 8.643 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.141 8.994 4.843 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.713 9.104 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.861 11.204 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.762 11.117 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.235 10.809 4.998 1.00 0.00 H new ATOM 925 N GLY A 55 3.253 6.505 6.564 1.00 0.00 N ATOM 926 CA GLY A 55 1.966 7.185 6.548 1.00 0.00 C ATOM 927 C GLY A 55 1.335 7.215 5.154 1.00 0.00 C ATOM 928 O GLY A 55 0.512 8.082 4.865 1.00 0.00 O ATOM 0 H GLY A 55 3.256 5.641 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.287 6.687 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.094 8.206 6.907 1.00 0.00 H new ATOM 932 N ALA A 56 1.703 6.266 4.289 1.00 0.00 N ATOM 933 CA ALA A 56 1.155 6.135 2.949 1.00 0.00 C ATOM 934 C ALA A 56 -0.273 5.593 3.059 1.00 0.00 C ATOM 935 O ALA A 56 -1.226 6.132 2.493 1.00 0.00 O ATOM 936 CB ALA A 56 2.019 5.164 2.134 1.00 0.00 C ATOM 0 H ALA A 56 2.403 5.558 4.511 1.00 0.00 H new ATOM 0 HA ALA A 56 1.147 7.104 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.608 5.066 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.038 5.547 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.026 4.188 2.620 1.00 0.00 H new ATOM 942 N LEU A 57 -0.397 4.489 3.794 1.00 0.00 N ATOM 943 CA LEU A 57 -1.626 3.765 4.067 1.00 0.00 C ATOM 944 C LEU A 57 -1.849 3.805 5.578 1.00 0.00 C ATOM 945 O LEU A 57 -0.917 4.054 6.342 1.00 0.00 O ATOM 946 CB LEU A 57 -1.470 2.311 3.589 1.00 0.00 C ATOM 947 CG LEU A 57 -1.825 2.059 2.112 1.00 0.00 C ATOM 948 CD1 LEU A 57 -1.158 3.015 1.114 1.00 0.00 C ATOM 949 CD2 LEU A 57 -1.419 0.625 1.761 1.00 0.00 C ATOM 0 H LEU A 57 0.411 4.054 4.240 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.475 4.210 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.438 2.001 3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.099 1.673 4.210 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.897 2.232 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.469 2.759 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.456 4.040 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.075 2.927 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.661 0.423 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.347 0.502 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.959 -0.073 2.400 1.00 0.00 H new ATOM 961 N ASN A 58 -3.085 3.592 6.020 1.00 0.00 N ATOM 962 CA ASN A 58 -3.475 3.474 7.423 1.00 0.00 C ATOM 963 C ASN A 58 -4.332 2.214 7.468 1.00 0.00 C ATOM 964 O ASN A 58 -4.935 1.882 6.449 1.00 0.00 O ATOM 965 CB ASN A 58 -4.280 4.704 7.873 1.00 0.00 C ATOM 966 CG ASN A 58 -3.444 5.892 8.358 1.00 0.00 C ATOM 967 OD1 ASN A 58 -3.961 6.749 9.065 1.00 0.00 O ATOM 968 ND2 ASN A 58 -2.160 5.978 8.018 1.00 0.00 N ATOM 0 H ASN A 58 -3.876 3.493 5.384 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.616 3.417 8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.902 5.034 7.041 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -4.954 4.403 8.675 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.597 6.763 8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.739 5.259 7.429 1.00 0.00 H new ATOM 975 N HIS A 59 -4.363 1.475 8.584 1.00 0.00 N ATOM 976 CA HIS A 59 -5.138 0.240 8.647 1.00 0.00 C ATOM 977 C HIS A 59 -5.943 0.106 9.935 1.00 0.00 C ATOM 978 O HIS A 59 -5.626 0.751 10.933 1.00 0.00 O ATOM 979 CB HIS A 59 -4.233 -0.975 8.391 1.00 0.00 C ATOM 980 CG HIS A 59 -3.570 -1.556 9.610 1.00 0.00 C ATOM 981 ND1 HIS A 59 -4.235 -2.463 10.434 1.00 0.00 N ATOM 982 CD2 HIS A 59 -2.291 -1.393 10.068 1.00 0.00 C ATOM 983 CE1 HIS A 59 -3.337 -2.802 11.363 1.00 0.00 C ATOM 984 NE2 HIS A 59 -2.156 -2.188 11.189 1.00 0.00 N ATOM 0 H HIS A 59 -3.866 1.711 9.443 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.881 0.281 7.850 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.827 -1.755 7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.459 -0.686 7.680 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.530 -0.761 9.634 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.539 -3.495 12.167 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.324 -2.289 11.770 1.00 0.00 H new ATOM 992 N HIS A 60 -6.984 -0.728 9.882 1.00 0.00 N ATOM 993 CA HIS A 60 -7.860 -1.060 10.998 1.00 0.00 C ATOM 994 C HIS A 60 -7.915 -2.580 11.149 1.00 0.00 C ATOM 995 O HIS A 60 -7.896 -3.296 10.150 1.00 0.00 O ATOM 996 CB HIS A 60 -9.254 -0.485 10.783 1.00 0.00 C ATOM 997 CG HIS A 60 -10.270 -1.045 11.746 1.00 0.00 C ATOM 998 ND1 HIS A 60 -10.013 -1.097 13.116 1.00 0.00 N ATOM 999 CD2 HIS A 60 -11.457 -1.680 11.492 1.00 0.00 C ATOM 1000 CE1 HIS A 60 -11.059 -1.745 13.636 1.00 0.00 C ATOM 1001 NE2 HIS A 60 -11.952 -2.115 12.705 1.00 0.00 N ATOM 0 H HIS A 60 -7.247 -1.209 9.022 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.464 -0.620 11.913 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.216 0.599 10.891 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.574 -0.692 9.762 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.919 -1.815 10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.174 -1.949 14.690 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.825 -2.619 12.863 1.00 0.00 H new ATOM 1009 N LYS A 61 -8.010 -3.082 12.382 1.00 0.00 N ATOM 1010 CA LYS A 61 -8.094 -4.507 12.658 1.00 0.00 C ATOM 1011 C LYS A 61 -9.567 -4.907 12.520 1.00 0.00 C ATOM 1012 O LYS A 61 -10.330 -4.869 13.487 1.00 0.00 O ATOM 1013 CB LYS A 61 -7.512 -4.762 14.060 1.00 0.00 C ATOM 1014 CG LYS A 61 -6.853 -6.137 14.229 1.00 0.00 C ATOM 1015 CD LYS A 61 -7.807 -7.321 14.029 1.00 0.00 C ATOM 1016 CE LYS A 61 -7.118 -8.589 14.549 1.00 0.00 C ATOM 1017 NZ LYS A 61 -7.900 -9.803 14.262 1.00 0.00 N ATOM 0 H LYS A 61 -8.031 -2.501 13.220 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.516 -5.116 11.963 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.776 -3.989 14.281 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.310 -4.662 14.796 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.031 -6.223 13.518 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.419 -6.199 15.227 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.741 -7.150 14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.059 -7.431 12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.132 -8.678 14.093 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.965 -8.503 15.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.575 -10.578 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.907 -9.618 14.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.771 -10.072 13.266 1.00 0.00 H new ATOM 1031 N GLU A 62 -9.980 -5.339 11.323 1.00 0.00 N ATOM 1032 CA GLU A 62 -11.383 -5.645 11.090 1.00 0.00 C ATOM 1033 C GLU A 62 -11.685 -7.082 11.509 1.00 0.00 C ATOM 1034 O GLU A 62 -11.849 -7.975 10.679 1.00 0.00 O ATOM 1035 CB GLU A 62 -11.743 -5.371 9.622 1.00 0.00 C ATOM 1036 CG GLU A 62 -13.265 -5.394 9.414 1.00 0.00 C ATOM 1037 CD GLU A 62 -13.638 -5.088 7.969 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -13.585 -6.034 7.153 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -13.956 -3.908 7.704 1.00 0.00 O ATOM 0 H GLU A 62 -9.370 -5.481 10.518 1.00 0.00 H new ATOM 0 HA GLU A 62 -12.009 -4.996 11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.346 -4.401 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.274 -6.119 8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.656 -6.373 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.734 -4.664 10.074 1.00 0.00 H new ATOM 1046 N GLY A 63 -11.813 -7.281 12.822 1.00 0.00 N ATOM 1047 CA GLY A 63 -12.214 -8.540 13.436 1.00 0.00 C ATOM 1048 C GLY A 63 -11.194 -9.673 13.301 1.00 0.00 C ATOM 1049 O GLY A 63 -10.747 -10.215 14.310 1.00 0.00 O ATOM 0 H GLY A 63 -11.634 -6.545 13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.406 -8.367 14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.155 -8.862 12.990 1.00 0.00 H new ATOM 1053 N ARG A 64 -10.877 -10.086 12.071 1.00 0.00 N ATOM 1054 CA ARG A 64 -9.963 -11.179 11.771 1.00 0.00 C ATOM 1055 C ARG A 64 -8.755 -10.662 10.994 1.00 0.00 C ATOM 1056 O ARG A 64 -7.640 -10.708 11.511 1.00 0.00 O ATOM 1057 CB ARG A 64 -10.686 -12.309 11.031 1.00 0.00 C ATOM 1058 CG ARG A 64 -11.491 -13.176 12.010 1.00 0.00 C ATOM 1059 CD ARG A 64 -12.902 -12.676 12.285 1.00 0.00 C ATOM 1060 NE ARG A 64 -13.542 -13.427 13.372 1.00 0.00 N ATOM 1061 CZ ARG A 64 -13.305 -13.264 14.683 1.00 0.00 C ATOM 1062 NH1 ARG A 64 -12.396 -12.385 15.127 1.00 0.00 N ATOM 1063 NH2 ARG A 64 -13.993 -13.999 15.562 1.00 0.00 N ATOM 0 H ARG A 64 -11.265 -9.652 11.233 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.596 -11.598 12.708 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.353 -11.888 10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.960 -12.927 10.504 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.549 -14.190 11.614 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.949 -13.234 12.954 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.869 -11.618 12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -13.502 -12.764 11.379 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.227 -14.135 13.108 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.865 -11.821 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.235 -12.280 16.129 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.686 -14.671 15.233 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.825 -13.888 16.562 1.00 0.00 H new ATOM 1077 N VAL A 65 -8.959 -10.156 9.775 1.00 0.00 N ATOM 1078 CA VAL A 65 -7.881 -9.634 8.951 1.00 0.00 C ATOM 1079 C VAL A 65 -7.959 -8.114 8.999 1.00 0.00 C ATOM 1080 O VAL A 65 -9.044 -7.544 9.113 1.00 0.00 O ATOM 1081 CB VAL A 65 -7.980 -10.178 7.516 1.00 0.00 C ATOM 1082 CG1 VAL A 65 -7.483 -11.628 7.459 1.00 0.00 C ATOM 1083 CG2 VAL A 65 -9.409 -10.119 6.964 1.00 0.00 C ATOM 0 H VAL A 65 -9.879 -10.099 9.337 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.911 -9.957 9.330 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.351 -9.539 6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.559 -11.999 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.443 -11.669 7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.093 -12.248 8.116 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.423 -10.515 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.068 -10.715 7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.753 -9.085 6.955 1.00 0.00 H new ATOM 1093 N PHE A 66 -6.807 -7.450 8.944 1.00 0.00 N ATOM 1094 CA PHE A 66 -6.770 -5.999 8.991 1.00 0.00 C ATOM 1095 C PHE A 66 -7.050 -5.454 7.593 1.00 0.00 C ATOM 1096 O PHE A 66 -6.716 -6.095 6.591 1.00 0.00 O ATOM 1097 CB PHE A 66 -5.478 -5.444 9.618 1.00 0.00 C ATOM 1098 CG PHE A 66 -4.309 -6.400 9.768 1.00 0.00 C ATOM 1099 CD1 PHE A 66 -4.380 -7.473 10.679 1.00 0.00 C ATOM 1100 CD2 PHE A 66 -3.105 -6.146 9.090 1.00 0.00 C ATOM 1101 CE1 PHE A 66 -3.293 -8.353 10.819 1.00 0.00 C ATOM 1102 CE2 PHE A 66 -2.016 -7.023 9.232 1.00 0.00 C ATOM 1103 CZ PHE A 66 -2.114 -8.134 10.086 1.00 0.00 C ATOM 0 H PHE A 66 -5.893 -7.896 8.867 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.553 -5.649 9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.147 -4.599 9.015 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.723 -5.054 10.606 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.272 -7.619 11.271 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.016 -5.275 8.458 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.364 -9.197 11.489 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.103 -6.843 8.684 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.284 -8.819 10.179 1.00 0.00 H new ATOM 1113 N VAL A 67 -7.701 -4.290 7.559 1.00 0.00 N ATOM 1114 CA VAL A 67 -8.137 -3.575 6.377 1.00 0.00 C ATOM 1115 C VAL A 67 -7.277 -2.335 6.193 1.00 0.00 C ATOM 1116 O VAL A 67 -7.183 -1.536 7.122 1.00 0.00 O ATOM 1117 CB VAL A 67 -9.632 -3.239 6.512 1.00 0.00 C ATOM 1118 CG1 VAL A 67 -10.103 -2.226 5.463 1.00 0.00 C ATOM 1119 CG2 VAL A 67 -10.459 -4.515 6.341 1.00 0.00 C ATOM 0 H VAL A 67 -7.950 -3.797 8.417 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.017 -4.191 5.486 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.771 -2.801 7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.165 -2.024 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.540 -1.299 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.940 -2.633 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.518 -4.277 6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.270 -4.942 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.178 -5.236 7.109 1.00 0.00 H new ATOM 1129 N TYR A 68 -6.671 -2.184 5.009 1.00 0.00 N ATOM 1130 CA TYR A 68 -5.820 -1.057 4.653 1.00 0.00 C ATOM 1131 C TYR A 68 -6.619 -0.038 3.852 1.00 0.00 C ATOM 1132 O TYR A 68 -7.244 -0.401 2.853 1.00 0.00 O ATOM 1133 CB TYR A 68 -4.641 -1.514 3.785 1.00 0.00 C ATOM 1134 CG TYR A 68 -3.837 -2.649 4.368 1.00 0.00 C ATOM 1135 CD1 TYR A 68 -2.946 -2.415 5.430 1.00 0.00 C ATOM 1136 CD2 TYR A 68 -4.002 -3.950 3.865 1.00 0.00 C ATOM 1137 CE1 TYR A 68 -2.314 -3.495 6.070 1.00 0.00 C ATOM 1138 CE2 TYR A 68 -3.292 -5.008 4.444 1.00 0.00 C ATOM 1139 CZ TYR A 68 -2.498 -4.796 5.578 1.00 0.00 C ATOM 1140 OH TYR A 68 -1.966 -5.863 6.232 1.00 0.00 O ATOM 0 H TYR A 68 -6.766 -2.865 4.256 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.448 -0.617 5.579 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.021 -1.818 2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.979 -0.665 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.747 -1.404 5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.672 -4.133 3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.691 -3.324 6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.357 -5.996 4.013 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.250 -5.847 7.170 1.00 0.00 H new ATOM 1150 N THR A 69 -6.565 1.224 4.275 1.00 0.00 N ATOM 1151 CA THR A 69 -7.160 2.368 3.610 1.00 0.00 C ATOM 1152 C THR A 69 -6.000 3.267 3.162 1.00 0.00 C ATOM 1153 O THR A 69 -5.062 3.478 3.938 1.00 0.00 O ATOM 1154 CB THR A 69 -8.062 3.136 4.583 1.00 0.00 C ATOM 1155 OG1 THR A 69 -8.909 2.241 5.275 1.00 0.00 O ATOM 1156 CG2 THR A 69 -8.916 4.204 3.893 1.00 0.00 C ATOM 0 H THR A 69 -6.080 1.482 5.134 1.00 0.00 H new ATOM 0 HA THR A 69 -7.770 2.053 2.764 1.00 0.00 H new ATOM 0 HB THR A 69 -7.397 3.647 5.279 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.554 1.851 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.532 4.712 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.266 4.929 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.558 3.732 3.150 1.00 0.00 H new ATOM 1164 N PRO A 70 -6.015 3.786 1.928 1.00 0.00 N ATOM 1165 CA PRO A 70 -5.011 4.731 1.474 1.00 0.00 C ATOM 1166 C PRO A 70 -5.081 5.996 2.333 1.00 0.00 C ATOM 1167 O PRO A 70 -6.164 6.557 2.489 1.00 0.00 O ATOM 1168 CB PRO A 70 -5.358 5.064 0.018 1.00 0.00 C ATOM 1169 CG PRO A 70 -6.457 4.080 -0.388 1.00 0.00 C ATOM 1170 CD PRO A 70 -7.032 3.551 0.925 1.00 0.00 C ATOM 0 HA PRO A 70 -4.004 4.321 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -5.702 6.094 -0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.484 4.960 -0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.226 4.573 -0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.054 3.270 -0.995 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.959 4.065 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.267 2.489 0.849 1.00 0.00 H new ATOM 1178 N ASN A 71 -3.955 6.445 2.895 1.00 0.00 N ATOM 1179 CA ASN A 71 -3.901 7.700 3.639 1.00 0.00 C ATOM 1180 C ASN A 71 -3.568 8.830 2.660 1.00 0.00 C ATOM 1181 O ASN A 71 -4.014 9.958 2.851 1.00 0.00 O ATOM 1182 CB ASN A 71 -2.913 7.613 4.805 1.00 0.00 C ATOM 1183 CG ASN A 71 -2.883 8.913 5.602 1.00 0.00 C ATOM 1184 OD1 ASN A 71 -3.899 9.343 6.137 1.00 0.00 O ATOM 1185 ND2 ASN A 71 -1.719 9.547 5.704 1.00 0.00 N ATOM 0 H ASN A 71 -3.064 5.951 2.846 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.870 7.910 4.093 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.192 6.788 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.915 7.394 4.424 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.655 10.414 6.238 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.889 9.167 5.249 1.00 0.00 H new ATOM 1192 N ILE A 72 -2.827 8.517 1.588 1.00 0.00 N ATOM 1193 CA ILE A 72 -2.507 9.450 0.512 1.00 0.00 C ATOM 1194 C ILE A 72 -3.239 9.016 -0.770 1.00 0.00 C ATOM 1195 O ILE A 72 -3.553 7.837 -0.960 1.00 0.00 O ATOM 1196 CB ILE A 72 -0.978 9.587 0.312 1.00 0.00 C ATOM 1197 CG1 ILE A 72 -0.317 8.543 -0.608 1.00 0.00 C ATOM 1198 CG2 ILE A 72 -0.213 9.682 1.639 1.00 0.00 C ATOM 1199 CD1 ILE A 72 -0.529 7.070 -0.264 1.00 0.00 C ATOM 0 H ILE A 72 -2.428 7.589 1.447 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.857 10.446 0.781 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.897 10.534 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.682 8.708 -1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.756 8.735 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.854 9.776 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.556 10.554 2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.393 8.783 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.009 6.448 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.135 6.869 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.594 6.841 -0.286 1.00 0.00 H new ATOM 1211 N ASP A 73 -3.560 9.971 -1.647 1.00 0.00 N ATOM 1212 CA ASP A 73 -4.227 9.748 -2.909 1.00 0.00 C ATOM 1213 C ASP A 73 -3.205 9.699 -4.043 1.00 0.00 C ATOM 1214 O ASP A 73 -2.062 10.112 -3.868 1.00 0.00 O ATOM 1215 CB ASP A 73 -5.188 10.914 -3.122 1.00 0.00 C ATOM 1216 CG ASP A 73 -4.464 12.231 -3.385 1.00 0.00 C ATOM 1217 OD1 ASP A 73 -3.723 12.664 -2.476 1.00 0.00 O ATOM 1218 OD2 ASP A 73 -4.651 12.764 -4.500 1.00 0.00 O ATOM 0 H ASP A 73 -3.349 10.955 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.763 8.799 -2.900 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.844 10.690 -3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.823 11.022 -2.243 1.00 0.00 H new ATOM 1223 N GLU A 74 -3.640 9.251 -5.222 1.00 0.00 N ATOM 1224 CA GLU A 74 -2.801 9.131 -6.407 1.00 0.00 C ATOM 1225 C GLU A 74 -1.947 10.379 -6.665 1.00 0.00 C ATOM 1226 O GLU A 74 -0.730 10.286 -6.826 1.00 0.00 O ATOM 1227 CB GLU A 74 -3.670 8.713 -7.598 1.00 0.00 C ATOM 1228 CG GLU A 74 -4.740 9.742 -7.976 1.00 0.00 C ATOM 1229 CD GLU A 74 -5.758 9.141 -8.939 1.00 0.00 C ATOM 1230 OE1 GLU A 74 -5.496 9.207 -10.159 1.00 0.00 O ATOM 1231 OE2 GLU A 74 -6.770 8.611 -8.432 1.00 0.00 O ATOM 0 H GLU A 74 -4.604 8.957 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.063 8.346 -6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.027 8.538 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.157 7.766 -7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.247 10.092 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.268 10.611 -8.435 1.00 0.00 H new ATOM 1238 N SER A 75 -2.577 11.555 -6.645 1.00 0.00 N ATOM 1239 CA SER A 75 -1.932 12.835 -6.887 1.00 0.00 C ATOM 1240 C SER A 75 -0.765 13.115 -5.939 1.00 0.00 C ATOM 1241 O SER A 75 0.077 13.951 -6.253 1.00 0.00 O ATOM 1242 CB SER A 75 -2.980 13.952 -6.802 1.00 0.00 C ATOM 1243 OG SER A 75 -4.276 13.442 -7.072 1.00 0.00 O ATOM 0 H SER A 75 -3.576 11.639 -6.455 1.00 0.00 H new ATOM 0 HA SER A 75 -1.500 12.799 -7.887 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.960 14.402 -5.810 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.738 14.740 -7.515 1.00 0.00 H new ATOM 0 HG SER A 75 -4.728 13.235 -6.228 1.00 0.00 H new ATOM 1249 N ASP A 76 -0.711 12.451 -4.780 1.00 0.00 N ATOM 1250 CA ASP A 76 0.382 12.633 -3.839 1.00 0.00 C ATOM 1251 C ASP A 76 1.687 12.046 -4.381 1.00 0.00 C ATOM 1252 O ASP A 76 2.751 12.407 -3.882 1.00 0.00 O ATOM 1253 CB ASP A 76 0.030 11.990 -2.493 1.00 0.00 C ATOM 1254 CG ASP A 76 1.109 12.241 -1.443 1.00 0.00 C ATOM 1255 OD1 ASP A 76 1.211 13.405 -1.000 1.00 0.00 O ATOM 1256 OD2 ASP A 76 1.803 11.261 -1.091 1.00 0.00 O ATOM 0 H ASP A 76 -1.418 11.781 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 76 0.530 13.703 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.921 12.387 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.103 10.917 -2.627 1.00 0.00 H new ATOM 1261 N TYR A 77 1.645 11.153 -5.383 1.00 0.00 N ATOM 1262 CA TYR A 77 2.850 10.507 -5.893 1.00 0.00 C ATOM 1263 C TYR A 77 3.710 11.420 -6.783 1.00 0.00 C ATOM 1264 O TYR A 77 3.979 11.120 -7.944 1.00 0.00 O ATOM 1265 CB TYR A 77 2.513 9.169 -6.571 1.00 0.00 C ATOM 1266 CG TYR A 77 3.725 8.372 -7.043 1.00 0.00 C ATOM 1267 CD1 TYR A 77 4.853 8.228 -6.212 1.00 0.00 C ATOM 1268 CD2 TYR A 77 3.777 7.884 -8.364 1.00 0.00 C ATOM 1269 CE1 TYR A 77 6.013 7.600 -6.695 1.00 0.00 C ATOM 1270 CE2 TYR A 77 4.916 7.195 -8.821 1.00 0.00 C ATOM 1271 CZ TYR A 77 6.016 7.013 -7.968 1.00 0.00 C ATOM 1272 OH TYR A 77 7.059 6.223 -8.349 1.00 0.00 O ATOM 0 H TYR A 77 0.786 10.866 -5.852 1.00 0.00 H new ATOM 0 HA TYR A 77 3.477 10.293 -5.028 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.942 8.557 -5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.867 9.363 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.826 8.602 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 77 2.940 8.039 -9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.904 7.569 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.944 6.806 -9.828 1.00 0.00 H new ATOM 0 HH TYR A 77 7.512 5.873 -7.554 1.00 0.00 H new ATOM 1282 N ILE A 78 4.173 12.531 -6.215 1.00 0.00 N ATOM 1283 CA ILE A 78 5.157 13.429 -6.786 1.00 0.00 C ATOM 1284 C ILE A 78 6.339 13.218 -5.845 1.00 0.00 C ATOM 1285 O ILE A 78 6.384 13.812 -4.770 1.00 0.00 O ATOM 1286 CB ILE A 78 4.637 14.880 -6.797 1.00 0.00 C ATOM 1287 CG1 ILE A 78 3.221 14.916 -7.397 1.00 0.00 C ATOM 1288 CG2 ILE A 78 5.612 15.754 -7.597 1.00 0.00 C ATOM 1289 CD1 ILE A 78 2.691 16.333 -7.635 1.00 0.00 C ATOM 0 H ILE A 78 3.852 12.839 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 78 5.408 13.238 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 78 4.578 15.271 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.222 14.374 -8.343 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.539 14.390 -6.729 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.252 16.783 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.597 15.720 -7.131 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.681 15.381 -8.619 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.688 16.280 -8.059 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.657 16.872 -6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.350 16.857 -8.327 1.00 0.00 H new ATOM 1301 N GLU A 79 7.272 12.331 -6.201 1.00 0.00 N ATOM 1302 CA GLU A 79 8.299 11.940 -5.249 1.00 0.00 C ATOM 1303 C GLU A 79 9.314 13.074 -5.069 1.00 0.00 C ATOM 1304 O GLU A 79 10.281 13.196 -5.819 1.00 0.00 O ATOM 1305 CB GLU A 79 8.934 10.618 -5.713 1.00 0.00 C ATOM 1306 CG GLU A 79 9.524 9.817 -4.543 1.00 0.00 C ATOM 1307 CD GLU A 79 10.779 10.455 -3.958 1.00 0.00 C ATOM 1308 OE1 GLU A 79 11.855 10.236 -4.556 1.00 0.00 O ATOM 1309 OE2 GLU A 79 10.642 11.151 -2.929 1.00 0.00 O ATOM 0 H GLU A 79 7.333 11.884 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 79 7.866 11.765 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.182 10.015 -6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.719 10.829 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.772 9.722 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.760 8.809 -4.883 1.00 0.00 H new ATOM 1316 N VAL A 80 9.097 13.856 -4.011 1.00 0.00 N ATOM 1317 CA VAL A 80 9.945 14.942 -3.557 1.00 0.00 C ATOM 1318 C VAL A 80 10.502 14.533 -2.194 1.00 0.00 C ATOM 1319 O VAL A 80 9.808 13.894 -1.397 1.00 0.00 O ATOM 1320 CB VAL A 80 9.194 16.272 -3.523 1.00 0.00 C ATOM 1321 CG1 VAL A 80 10.096 17.439 -3.096 1.00 0.00 C ATOM 1322 CG2 VAL A 80 8.578 16.614 -4.885 1.00 0.00 C ATOM 0 H VAL A 80 8.275 13.736 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 80 10.768 15.110 -4.252 1.00 0.00 H new ATOM 0 HB VAL A 80 8.403 16.141 -2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.517 18.362 -3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.490 17.248 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.923 17.536 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.053 17.567 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.367 16.686 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.875 15.832 -5.173 1.00 0.00 H new ATOM 1332 N LYS A 81 11.773 14.874 -1.979 1.00 0.00 N ATOM 1333 CA LYS A 81 12.551 14.576 -0.794 1.00 0.00 C ATOM 1334 C LYS A 81 13.123 15.891 -0.266 1.00 0.00 C ATOM 1335 O LYS A 81 14.305 16.186 -0.445 1.00 0.00 O ATOM 1336 CB LYS A 81 13.626 13.515 -1.106 1.00 0.00 C ATOM 1337 CG LYS A 81 14.294 13.660 -2.486 1.00 0.00 C ATOM 1338 CD LYS A 81 13.540 12.851 -3.555 1.00 0.00 C ATOM 1339 CE LYS A 81 14.012 13.187 -4.972 1.00 0.00 C ATOM 1340 NZ LYS A 81 13.164 12.518 -5.976 1.00 0.00 N ATOM 0 H LYS A 81 12.310 15.395 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 81 11.932 14.137 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.398 13.563 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.171 12.527 -1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 81 14.319 14.711 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.328 13.320 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.681 11.786 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.471 13.050 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.982 14.266 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.049 12.876 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.679 12.453 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.923 11.562 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.291 13.067 -6.114 1.00 0.00 H new ATOM 1354 N SER A 82 12.264 16.714 0.334 1.00 0.00 N ATOM 1355 CA SER A 82 12.632 17.992 0.921 1.00 0.00 C ATOM 1356 C SER A 82 11.634 18.306 2.035 1.00 0.00 C ATOM 1357 O SER A 82 11.363 17.399 2.854 1.00 0.00 O ATOM 1358 CB SER A 82 12.668 19.079 -0.159 1.00 0.00 C ATOM 1359 OG SER A 82 13.565 18.741 -1.206 1.00 0.00 O ATOM 1360 OXT SER A 82 11.108 19.444 2.117 1.00 0.00 O ATOM 0 H SER A 82 11.271 16.501 0.425 1.00 0.00 H new ATOM 0 HA SER A 82 13.633 17.952 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.667 19.221 -0.567 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.968 20.027 0.287 1.00 0.00 H new ATOM 0 HG SER A 82 13.564 19.453 -1.880 1.00 0.00 H new TER 1366 SER A 82