USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 677 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 86 ASN : amide:sc= -2.82 K(o=-7.5,f=-14!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -4.67 K(o=-7.5,f=-10!) USER MOD Set 2.1: A 19 HIS :FLIP no HE2:sc= -10.5! C(o=-12!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot -150:sc= -1.29 USER MOD Set 3.1: A 32 THR OG1 : rot 17:sc= -0.627 USER MOD Set 3.2: A 89 GLN : amide:sc= -3.28! C(o=-3.9!,f=-4.2!) USER MOD Set 4.1: A 10 MET CE :methyl 165:sc= -8.45! (180deg=-9.28!) USER MOD Set 4.2: A 70 MET CE :methyl -136:sc= -0.451 (180deg=-2.37!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 9 GLN : amide:sc= -7.54! C(o=-11!,f=-11!) USER MOD Set 5.3: A 42 ASN : amide:sc= -3.44 K(o=-11,f=-12!) USER MOD Single : A 1 MET CE :methyl -125:sc= -0.507 (180deg=-3.24!) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.589 (180deg=-0.354) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.0936 K(o=-0.094,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 43:sc= -1.97 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -145:sc= 0.00344 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -1.02 F(o=-2,f=-1) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.01 F(o=-1.5,f=-1) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.086 K(o=0.086,f=-1.4) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.23 USER MOD Single : A 56 THR OG1 : rot -97:sc= -0.638 USER MOD Single : A 60 ASN : amide:sc= -0.456 K(o=-0.46,f=-4.2!) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00337 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0575 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 146:sc= 0.049 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.537 F(o=-1.6,f=-0.54) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0295) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0193 USER MOD Single : A 102 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0615) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.036 -4.926 -9.450 1.00 0.00 N ATOM 2 CA MET A 1 5.059 -4.655 -8.364 1.00 0.00 C ATOM 3 C MET A 1 3.901 -3.797 -8.866 1.00 0.00 C ATOM 4 O MET A 1 3.897 -2.579 -8.691 1.00 0.00 O ATOM 5 CB MET A 1 5.785 -3.943 -7.221 1.00 0.00 C ATOM 6 CG MET A 1 6.648 -2.780 -7.680 1.00 0.00 C ATOM 7 SD MET A 1 8.374 -3.245 -7.917 1.00 0.00 S ATOM 8 CE MET A 1 8.820 -3.747 -6.257 1.00 0.00 C ATOM 0 H1 MET A 1 5.963 -5.921 -9.742 1.00 0.00 H new ATOM 0 H2 MET A 1 5.831 -4.310 -10.263 1.00 0.00 H new ATOM 0 H3 MET A 1 6.999 -4.736 -9.106 1.00 0.00 H new ATOM 0 HA MET A 1 4.642 -5.599 -8.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.048 -3.578 -6.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.411 -4.663 -6.694 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.251 -2.385 -8.615 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.590 -1.977 -6.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.693 -3.183 -5.929 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.987 -3.552 -5.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.052 -4.812 -6.249 1.00 0.00 H new ATOM 20 N THR A 2 2.918 -4.441 -9.488 1.00 0.00 N ATOM 21 CA THR A 2 1.753 -3.736 -10.014 1.00 0.00 C ATOM 22 C THR A 2 0.634 -3.663 -8.979 1.00 0.00 C ATOM 23 O THR A 2 -0.435 -3.112 -9.241 1.00 0.00 O ATOM 24 CB THR A 2 1.245 -4.427 -11.277 1.00 0.00 C ATOM 25 OG1 THR A 2 2.325 -4.788 -12.120 1.00 0.00 O ATOM 26 CG2 THR A 2 0.296 -3.571 -12.087 1.00 0.00 C ATOM 0 H THR A 2 2.905 -5.449 -9.640 1.00 0.00 H new ATOM 0 HA THR A 2 2.060 -2.719 -10.256 1.00 0.00 H new ATOM 0 HB THR A 2 0.706 -5.307 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.979 -5.231 -12.923 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.027 -4.122 -12.970 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.573 -3.317 -11.480 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.803 -2.657 -12.395 1.00 0.00 H new ATOM 31 N LEU A 3 0.890 -4.219 -7.804 1.00 0.00 N ATOM 32 CA LEU A 3 -0.086 -4.221 -6.721 1.00 0.00 C ATOM 33 C LEU A 3 -1.383 -4.902 -7.146 1.00 0.00 C ATOM 34 O LEU A 3 -2.163 -4.350 -7.923 1.00 0.00 O ATOM 35 CB LEU A 3 -0.378 -2.791 -6.258 1.00 0.00 C ATOM 36 CG LEU A 3 -1.482 -2.666 -5.205 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.300 -1.398 -4.388 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.853 -2.682 -5.868 1.00 0.00 C ATOM 0 H LEU A 3 1.771 -4.678 -7.574 1.00 0.00 H new ATOM 0 HA LEU A 3 0.342 -4.784 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.539 -2.361 -5.855 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.655 -2.193 -7.126 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.414 -3.520 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.094 -1.327 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.334 -1.425 -3.885 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.341 -0.531 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.627 -2.592 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.930 -1.847 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.984 -3.619 -6.410 1.00 0.00 H new ATOM 44 N ASN A 4 -1.610 -6.100 -6.623 1.00 0.00 N ATOM 45 CA ASN A 4 -2.815 -6.858 -6.936 1.00 0.00 C ATOM 46 C ASN A 4 -3.950 -6.497 -5.980 1.00 0.00 C ATOM 47 O ASN A 4 -3.724 -5.903 -4.923 1.00 0.00 O ATOM 48 CB ASN A 4 -2.534 -8.355 -6.857 1.00 0.00 C ATOM 49 CG ASN A 4 -1.367 -8.774 -7.728 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.893 -8.005 -8.565 1.00 0.00 O ATOM 51 ND2 ASN A 4 -0.895 -10.000 -7.535 1.00 0.00 N ATOM 0 H ASN A 4 -0.974 -6.569 -5.978 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.119 -6.602 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.327 -8.628 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.425 -8.905 -7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -0.110 -10.338 -8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.318 -10.604 -6.830 1.00 0.00 H new ATOM 56 N ILE A 5 -5.171 -6.859 -6.360 1.00 0.00 N ATOM 57 CA ILE A 5 -6.342 -6.570 -5.542 1.00 0.00 C ATOM 58 C ILE A 5 -7.206 -7.811 -5.347 1.00 0.00 C ATOM 59 O ILE A 5 -7.262 -8.685 -6.213 1.00 0.00 O ATOM 60 CB ILE A 5 -7.209 -5.453 -6.163 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.344 -4.276 -6.613 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.245 -4.971 -5.155 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.442 -4.564 -7.784 1.00 0.00 C ATOM 0 H ILE A 5 -5.375 -7.353 -7.229 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.966 -6.236 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.716 -5.865 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.997 -3.442 -6.872 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.731 -3.952 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.850 -4.184 -5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.887 -5.803 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.739 -4.581 -4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.868 -3.670 -8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.759 -5.374 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.044 -4.857 -8.644 1.00 0.00 H new ATOM 67 N THR A 6 -7.881 -7.877 -4.205 1.00 0.00 N ATOM 68 CA THR A 6 -8.752 -9.003 -3.886 1.00 0.00 C ATOM 69 C THR A 6 -10.080 -8.506 -3.323 1.00 0.00 C ATOM 70 O THR A 6 -10.155 -8.074 -2.174 1.00 0.00 O ATOM 71 CB THR A 6 -8.073 -9.932 -2.878 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.676 -9.985 -3.108 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.599 -11.352 -2.922 1.00 0.00 C ATOM 0 H THR A 6 -7.841 -7.160 -3.481 1.00 0.00 H new ATOM 0 HA THR A 6 -8.945 -9.559 -4.803 1.00 0.00 H new ATOM 0 HB THR A 6 -8.297 -9.509 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.259 -10.583 -2.453 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.075 -11.957 -2.182 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.666 -11.352 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.435 -11.770 -3.915 1.00 0.00 H new ATOM 78 N SER A 7 -11.124 -8.563 -4.144 1.00 0.00 N ATOM 79 CA SER A 7 -12.447 -8.108 -3.730 1.00 0.00 C ATOM 80 C SER A 7 -13.426 -9.274 -3.623 1.00 0.00 C ATOM 81 O SER A 7 -13.706 -9.954 -4.610 1.00 0.00 O ATOM 82 CB SER A 7 -12.980 -7.078 -4.718 1.00 0.00 C ATOM 83 OG SER A 7 -12.659 -7.433 -6.051 1.00 0.00 O ATOM 0 H SER A 7 -11.080 -8.919 -5.099 1.00 0.00 H new ATOM 0 HA SER A 7 -12.350 -7.651 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.062 -6.994 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.560 -6.099 -4.488 1.00 0.00 H new ATOM 0 HG SER A 7 -12.814 -8.392 -6.181 1.00 0.00 H new ATOM 89 N LYS A 8 -13.932 -9.506 -2.416 1.00 0.00 N ATOM 90 CA LYS A 8 -14.870 -10.600 -2.180 1.00 0.00 C ATOM 91 C LYS A 8 -16.297 -10.280 -2.666 1.00 0.00 C ATOM 92 O LYS A 8 -17.130 -11.182 -2.760 1.00 0.00 O ATOM 93 CB LYS A 8 -14.878 -10.967 -0.689 1.00 0.00 C ATOM 94 CG LYS A 8 -15.867 -10.166 0.141 1.00 0.00 C ATOM 95 CD LYS A 8 -15.283 -9.770 1.488 1.00 0.00 C ATOM 96 CE LYS A 8 -15.957 -10.512 2.631 1.00 0.00 C ATOM 97 NZ LYS A 8 -16.941 -9.654 3.348 1.00 0.00 N ATOM 0 H LYS A 8 -13.710 -8.954 -1.588 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.527 -11.452 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.110 -12.027 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.877 -10.820 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.159 -9.270 -0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.772 -10.754 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.214 -9.981 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.398 -8.696 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.462 -11.396 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.200 -10.861 3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.378 -10.197 4.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.455 -8.823 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.678 -9.342 2.684 1.00 0.00 H new ATOM 111 N GLN A 9 -16.585 -9.010 -2.979 1.00 0.00 N ATOM 112 CA GLN A 9 -17.923 -8.637 -3.452 1.00 0.00 C ATOM 113 C GLN A 9 -17.879 -7.579 -4.557 1.00 0.00 C ATOM 114 O GLN A 9 -18.456 -7.772 -5.627 1.00 0.00 O ATOM 115 CB GLN A 9 -18.813 -8.161 -2.291 1.00 0.00 C ATOM 116 CG GLN A 9 -18.319 -6.912 -1.569 1.00 0.00 C ATOM 117 CD GLN A 9 -17.263 -7.226 -0.533 1.00 0.00 C ATOM 118 OE1 GLN A 9 -17.577 -7.606 0.596 1.00 0.00 O ATOM 119 NE2 GLN A 9 -16.003 -7.069 -0.910 1.00 0.00 N ATOM 0 H GLN A 9 -15.923 -8.237 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 9 -18.360 -9.539 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.814 -7.967 -2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.902 -8.970 -1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.912 -6.211 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.162 -6.417 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -15.789 -6.752 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -15.246 -7.265 -0.255 1.00 0.00 H new ATOM 126 N MET A 10 -17.204 -6.464 -4.300 1.00 0.00 N ATOM 127 CA MET A 10 -17.107 -5.391 -5.285 1.00 0.00 C ATOM 128 C MET A 10 -15.853 -5.541 -6.130 1.00 0.00 C ATOM 129 O MET A 10 -14.747 -5.249 -5.675 1.00 0.00 O ATOM 130 CB MET A 10 -17.113 -4.024 -4.609 1.00 0.00 C ATOM 131 CG MET A 10 -16.195 -3.924 -3.405 1.00 0.00 C ATOM 132 SD MET A 10 -15.483 -2.280 -3.215 1.00 0.00 S ATOM 133 CE MET A 10 -14.982 -2.338 -1.500 1.00 0.00 C ATOM 0 H MET A 10 -16.718 -6.279 -3.423 1.00 0.00 H new ATOM 0 HA MET A 10 -17.979 -5.463 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.821 -3.269 -5.339 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.131 -3.789 -4.297 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.753 -4.181 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.392 -4.655 -3.502 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.295 -1.517 -1.294 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.860 -2.245 -0.861 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.485 -3.287 -1.298 1.00 0.00 H new ATOM 143 N ASP A 11 -16.029 -6.001 -7.362 1.00 0.00 N ATOM 144 CA ASP A 11 -14.907 -6.197 -8.270 1.00 0.00 C ATOM 145 C ASP A 11 -14.039 -4.945 -8.364 1.00 0.00 C ATOM 146 O ASP A 11 -14.334 -3.924 -7.743 1.00 0.00 O ATOM 147 CB ASP A 11 -15.409 -6.591 -9.660 1.00 0.00 C ATOM 148 CG ASP A 11 -16.519 -5.682 -10.152 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.204 -4.605 -10.700 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.702 -6.048 -9.990 1.00 0.00 O ATOM 0 H ASP A 11 -16.938 -6.245 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.294 -7.004 -7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.579 -6.561 -10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.769 -7.619 -9.635 1.00 0.00 H new ATOM 155 N ILE A 12 -12.968 -5.031 -9.149 1.00 0.00 N ATOM 156 CA ILE A 12 -12.059 -3.902 -9.326 1.00 0.00 C ATOM 157 C ILE A 12 -12.402 -3.127 -10.591 1.00 0.00 C ATOM 158 O ILE A 12 -12.760 -3.711 -11.613 1.00 0.00 O ATOM 159 CB ILE A 12 -10.568 -4.332 -9.397 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.399 -5.834 -9.135 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.735 -3.531 -8.404 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.859 -6.267 -7.760 1.00 0.00 C ATOM 0 H ILE A 12 -12.709 -5.868 -9.671 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.190 -3.272 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.215 -4.126 -10.408 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.958 -6.390 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.349 -6.099 -9.257 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.693 -3.845 -8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.809 -2.469 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.106 -3.705 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.709 -7.341 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.283 -5.739 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.917 -6.034 -7.640 1.00 0.00 H new ATOM 166 N THR A 13 -12.286 -1.808 -10.515 1.00 0.00 N ATOM 167 CA THR A 13 -12.580 -0.946 -11.649 1.00 0.00 C ATOM 168 C THR A 13 -11.546 0.176 -11.746 1.00 0.00 C ATOM 169 O THR A 13 -10.631 0.252 -10.927 1.00 0.00 O ATOM 170 CB THR A 13 -13.996 -0.366 -11.528 1.00 0.00 C ATOM 171 OG1 THR A 13 -13.966 0.941 -10.981 1.00 0.00 O ATOM 172 CG2 THR A 13 -14.922 -1.200 -10.665 1.00 0.00 C ATOM 0 H THR A 13 -11.989 -1.311 -9.675 1.00 0.00 H new ATOM 0 HA THR A 13 -12.529 -1.541 -12.561 1.00 0.00 H new ATOM 0 HB THR A 13 -14.383 -0.359 -12.547 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.880 1.289 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.904 -0.729 -10.625 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.015 -2.199 -11.091 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.513 -1.272 -9.657 1.00 0.00 H new ATOM 177 N PRO A 14 -11.671 1.064 -12.750 1.00 0.00 N ATOM 178 CA PRO A 14 -10.734 2.177 -12.937 1.00 0.00 C ATOM 179 C PRO A 14 -10.423 2.907 -11.635 1.00 0.00 C ATOM 180 O PRO A 14 -9.259 3.072 -11.269 1.00 0.00 O ATOM 181 CB PRO A 14 -11.480 3.095 -13.900 1.00 0.00 C ATOM 182 CG PRO A 14 -12.322 2.172 -14.710 1.00 0.00 C ATOM 183 CD PRO A 14 -12.728 1.059 -13.781 1.00 0.00 C ATOM 0 HA PRO A 14 -9.765 1.839 -13.304 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.090 3.823 -13.364 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.790 3.658 -14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.196 2.688 -15.106 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.766 1.785 -15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.712 1.238 -13.347 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.777 0.102 -14.300 1.00 0.00 H new ATOM 191 N ALA A 15 -11.468 3.343 -10.934 1.00 0.00 N ATOM 192 CA ALA A 15 -11.296 4.054 -9.671 1.00 0.00 C ATOM 193 C ALA A 15 -10.360 3.289 -8.742 1.00 0.00 C ATOM 194 O ALA A 15 -9.200 3.661 -8.576 1.00 0.00 O ATOM 195 CB ALA A 15 -12.645 4.281 -9.002 1.00 0.00 C ATOM 0 H ALA A 15 -12.439 3.216 -11.219 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.846 5.024 -9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.500 4.812 -8.061 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.282 4.874 -9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.120 3.320 -8.806 1.00 0.00 H new ATOM 201 N ILE A 16 -10.864 2.207 -8.154 1.00 0.00 N ATOM 202 CA ILE A 16 -10.064 1.379 -7.258 1.00 0.00 C ATOM 203 C ILE A 16 -8.710 1.058 -7.890 1.00 0.00 C ATOM 204 O ILE A 16 -7.671 1.499 -7.403 1.00 0.00 O ATOM 205 CB ILE A 16 -10.805 0.064 -6.915 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.877 0.319 -5.858 1.00 0.00 C ATOM 207 CG2 ILE A 16 -9.836 -1.004 -6.428 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.239 0.627 -6.439 1.00 0.00 C ATOM 0 H ILE A 16 -11.823 1.884 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.903 1.941 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.281 -0.299 -7.826 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.956 -0.557 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.563 1.151 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.386 -1.916 -6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -9.102 -1.212 -7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.324 -0.650 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.950 0.797 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.176 1.520 -7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.574 -0.214 -7.046 1.00 0.00 H new ATOM 212 N ARG A 17 -8.734 0.298 -8.987 1.00 0.00 N ATOM 213 CA ARG A 17 -7.509 -0.078 -9.694 1.00 0.00 C ATOM 214 C ARG A 17 -6.534 1.097 -9.764 1.00 0.00 C ATOM 215 O ARG A 17 -5.415 1.023 -9.253 1.00 0.00 O ATOM 216 CB ARG A 17 -7.842 -0.558 -11.108 1.00 0.00 C ATOM 217 CG ARG A 17 -6.692 -1.284 -11.789 1.00 0.00 C ATOM 218 CD ARG A 17 -7.075 -2.705 -12.175 1.00 0.00 C ATOM 219 NE ARG A 17 -5.903 -3.562 -12.341 1.00 0.00 N ATOM 220 CZ ARG A 17 -5.915 -4.714 -13.008 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.033 -5.151 -13.572 1.00 0.00 N ATOM 222 NH2 ARG A 17 -4.803 -5.430 -13.111 1.00 0.00 N ATOM 0 H ARG A 17 -9.589 -0.069 -9.405 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.035 -0.888 -9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.705 -1.222 -11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.131 0.300 -11.716 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.390 -0.733 -12.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.830 -1.308 -11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.726 -3.126 -11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.646 -2.687 -13.104 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.024 -3.260 -11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.890 -4.604 -13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.036 -6.035 -14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.941 -5.098 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.810 -6.313 -13.622 1.00 0.00 H new ATOM 236 N GLU A 18 -6.973 2.183 -10.394 1.00 0.00 N ATOM 237 CA GLU A 18 -6.147 3.378 -10.527 1.00 0.00 C ATOM 238 C GLU A 18 -5.745 3.912 -9.157 1.00 0.00 C ATOM 239 O GLU A 18 -4.610 4.346 -8.956 1.00 0.00 O ATOM 240 CB GLU A 18 -6.899 4.458 -11.309 1.00 0.00 C ATOM 241 CG GLU A 18 -6.095 5.734 -11.510 1.00 0.00 C ATOM 242 CD GLU A 18 -5.749 5.985 -12.965 1.00 0.00 C ATOM 243 OE1 GLU A 18 -5.462 5.005 -13.684 1.00 0.00 O ATOM 244 OE2 GLU A 18 -5.765 7.161 -13.385 1.00 0.00 O ATOM 0 H GLU A 18 -7.896 2.260 -10.820 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.243 3.108 -11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.182 4.059 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.823 4.699 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.663 6.581 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.176 5.675 -10.927 1.00 0.00 H new ATOM 251 N HIS A 19 -6.679 3.863 -8.212 1.00 0.00 N ATOM 252 CA HIS A 19 -6.423 4.324 -6.857 1.00 0.00 C ATOM 253 C HIS A 19 -5.303 3.497 -6.239 1.00 0.00 C ATOM 254 O HIS A 19 -4.193 3.986 -6.035 1.00 0.00 O ATOM 255 CB HIS A 19 -7.701 4.199 -6.032 1.00 0.00 C ATOM 256 CG HIS A 19 -7.744 5.063 -4.824 1.00 0.00 C ATOM 257 ND1 HIS A 19 -8.366 4.860 -3.656 1.00 0.00 N flip ATOM 258 CD2 HIS A 19 -7.131 6.294 -4.732 1.00 0.00 C flip ATOM 259 CE1 HIS A 19 -8.130 5.959 -2.866 1.00 0.00 C flip ATOM 260 NE2 HIS A 19 -7.381 6.813 -3.541 1.00 0.00 N flip ATOM 0 H HIS A 19 -7.623 3.507 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.114 5.369 -6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.553 4.442 -6.667 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.819 3.160 -5.724 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -8.915 4.039 -3.399 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.541 6.760 -5.508 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.496 6.101 -1.860 1.00 0.00 H new ATOM 269 N LEU A 20 -5.604 2.229 -5.968 1.00 0.00 N ATOM 270 CA LEU A 20 -4.625 1.304 -5.400 1.00 0.00 C ATOM 271 C LEU A 20 -3.293 1.412 -6.138 1.00 0.00 C ATOM 272 O LEU A 20 -2.238 1.572 -5.520 1.00 0.00 O ATOM 273 CB LEU A 20 -5.147 -0.129 -5.478 1.00 0.00 C ATOM 274 CG LEU A 20 -6.650 -0.278 -5.228 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.092 -1.721 -5.358 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.012 0.271 -3.864 1.00 0.00 C ATOM 0 H LEU A 20 -6.522 1.817 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.468 1.570 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.915 -0.532 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.610 -0.737 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.177 0.298 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.164 -1.791 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.872 -2.080 -6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.559 -2.332 -4.630 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.084 0.159 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.467 -0.277 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.746 1.327 -3.814 1.00 0.00 H new ATOM 282 N GLU A 21 -3.353 1.338 -7.465 1.00 0.00 N ATOM 283 CA GLU A 21 -2.155 1.442 -8.290 1.00 0.00 C ATOM 284 C GLU A 21 -1.436 2.757 -8.011 1.00 0.00 C ATOM 285 O GLU A 21 -0.248 2.772 -7.683 1.00 0.00 O ATOM 286 CB GLU A 21 -2.518 1.341 -9.772 1.00 0.00 C ATOM 287 CG GLU A 21 -2.965 -0.048 -10.194 1.00 0.00 C ATOM 288 CD GLU A 21 -3.472 -0.090 -11.622 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.135 0.879 -12.045 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.203 -1.092 -12.319 1.00 0.00 O ATOM 0 H GLU A 21 -4.217 1.207 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.487 0.618 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.314 2.052 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.655 1.633 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.131 -0.742 -10.088 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.752 -0.392 -9.523 1.00 0.00 H new ATOM 297 N GLU A 22 -2.171 3.861 -8.126 1.00 0.00 N ATOM 298 CA GLU A 22 -1.606 5.181 -7.866 1.00 0.00 C ATOM 299 C GLU A 22 -0.985 5.213 -6.475 1.00 0.00 C ATOM 300 O GLU A 22 0.146 5.672 -6.294 1.00 0.00 O ATOM 301 CB GLU A 22 -2.682 6.263 -7.987 1.00 0.00 C ATOM 302 CG GLU A 22 -2.148 7.673 -7.799 1.00 0.00 C ATOM 303 CD GLU A 22 -1.526 8.234 -9.063 1.00 0.00 C ATOM 304 OE1 GLU A 22 -0.784 7.490 -9.740 1.00 0.00 O ATOM 305 OE2 GLU A 22 -1.780 9.415 -9.377 1.00 0.00 O ATOM 0 H GLU A 22 -3.155 3.867 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.833 5.381 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.152 6.189 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.459 6.076 -7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.960 8.325 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.405 7.673 -7.002 1.00 0.00 H new ATOM 312 N ARG A 23 -1.726 4.700 -5.493 1.00 0.00 N ATOM 313 CA ARG A 23 -1.242 4.647 -4.122 1.00 0.00 C ATOM 314 C ARG A 23 0.070 3.878 -4.068 1.00 0.00 C ATOM 315 O ARG A 23 1.011 4.277 -3.381 1.00 0.00 O ATOM 316 CB ARG A 23 -2.277 3.996 -3.210 1.00 0.00 C ATOM 317 CG ARG A 23 -3.384 4.947 -2.792 1.00 0.00 C ATOM 318 CD ARG A 23 -2.857 6.075 -1.918 1.00 0.00 C ATOM 319 NE ARG A 23 -3.911 7.014 -1.543 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.369 7.973 -2.345 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.869 8.123 -3.565 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.330 8.785 -1.924 1.00 0.00 N ATOM 0 H ARG A 23 -2.662 4.317 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.073 5.665 -3.771 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.716 3.139 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.779 3.614 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.858 5.366 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.152 4.395 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.407 5.656 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.069 6.608 -2.450 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.320 6.930 -0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.130 7.502 -3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.224 8.860 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.717 8.674 -0.987 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.682 9.520 -2.537 1.00 0.00 H new ATOM 336 N LEU A 24 0.133 2.783 -4.822 1.00 0.00 N ATOM 337 CA LEU A 24 1.341 1.973 -4.885 1.00 0.00 C ATOM 338 C LEU A 24 2.470 2.799 -5.480 1.00 0.00 C ATOM 339 O LEU A 24 3.580 2.837 -4.947 1.00 0.00 O ATOM 340 CB LEU A 24 1.108 0.721 -5.729 1.00 0.00 C ATOM 341 CG LEU A 24 2.340 -0.165 -5.929 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.586 -1.020 -4.696 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.172 -1.039 -7.163 1.00 0.00 C ATOM 0 H LEU A 24 -0.637 2.439 -5.395 1.00 0.00 H new ATOM 0 HA LEU A 24 1.609 1.659 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.324 0.126 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.736 1.025 -6.707 1.00 0.00 H new ATOM 0 HG LEU A 24 3.208 0.477 -6.079 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.466 -1.644 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.750 -0.375 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.719 -1.655 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.057 -1.663 -7.290 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.295 -1.674 -7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.044 -0.407 -8.042 1.00 0.00 H new ATOM 349 N ALA A 25 2.167 3.481 -6.582 1.00 0.00 N ATOM 350 CA ALA A 25 3.144 4.333 -7.242 1.00 0.00 C ATOM 351 C ALA A 25 3.631 5.406 -6.277 1.00 0.00 C ATOM 352 O ALA A 25 4.788 5.824 -6.323 1.00 0.00 O ATOM 353 CB ALA A 25 2.545 4.966 -8.488 1.00 0.00 C ATOM 0 H ALA A 25 1.253 3.458 -7.034 1.00 0.00 H new ATOM 0 HA ALA A 25 3.994 3.723 -7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.290 5.600 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.234 4.183 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.681 5.569 -8.210 1.00 0.00 H new ATOM 359 N LYS A 26 2.736 5.832 -5.389 1.00 0.00 N ATOM 360 CA LYS A 26 3.070 6.840 -4.392 1.00 0.00 C ATOM 361 C LYS A 26 3.928 6.222 -3.295 1.00 0.00 C ATOM 362 O LYS A 26 4.892 6.829 -2.829 1.00 0.00 O ATOM 363 CB LYS A 26 1.797 7.441 -3.791 1.00 0.00 C ATOM 364 CG LYS A 26 2.045 8.687 -2.957 1.00 0.00 C ATOM 365 CD LYS A 26 2.116 8.362 -1.474 1.00 0.00 C ATOM 366 CE LYS A 26 2.040 9.619 -0.623 1.00 0.00 C ATOM 367 NZ LYS A 26 3.366 10.283 -0.492 1.00 0.00 N ATOM 0 H LYS A 26 1.775 5.494 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 26 3.633 7.638 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.106 7.686 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.309 6.690 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.977 9.157 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.248 9.409 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.299 7.692 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.045 7.833 -1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.328 10.315 -1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.662 9.364 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.271 11.136 0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.039 9.628 -0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.715 10.549 -1.435 1.00 0.00 H new ATOM 381 N LEU A 27 3.579 4.999 -2.899 1.00 0.00 N ATOM 382 CA LEU A 27 4.327 4.286 -1.871 1.00 0.00 C ATOM 383 C LEU A 27 5.647 3.760 -2.431 1.00 0.00 C ATOM 384 O LEU A 27 6.503 3.287 -1.687 1.00 0.00 O ATOM 385 CB LEU A 27 3.495 3.136 -1.290 1.00 0.00 C ATOM 386 CG LEU A 27 2.782 3.457 0.027 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.117 2.211 0.592 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.759 4.046 1.039 1.00 0.00 C ATOM 0 H LEU A 27 2.783 4.484 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 27 4.549 4.988 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.749 2.838 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.148 2.278 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 27 2.009 4.199 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.616 2.459 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.386 1.833 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.872 1.447 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.232 4.267 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.556 3.329 1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.188 4.964 0.638 1.00 0.00 H new ATOM 394 N GLY A 28 5.809 3.851 -3.751 1.00 0.00 N ATOM 395 CA GLY A 28 7.032 3.386 -4.377 1.00 0.00 C ATOM 396 C GLY A 28 8.238 4.201 -3.955 1.00 0.00 C ATOM 397 O GLY A 28 9.355 3.687 -3.895 1.00 0.00 O ATOM 0 H GLY A 28 5.117 4.237 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.195 2.340 -4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.924 3.434 -5.461 1.00 0.00 H new ATOM 401 N LYS A 29 8.011 5.477 -3.659 1.00 0.00 N ATOM 402 CA LYS A 29 9.089 6.368 -3.237 1.00 0.00 C ATOM 403 C LYS A 29 9.493 6.108 -1.786 1.00 0.00 C ATOM 404 O LYS A 29 10.495 6.638 -1.308 1.00 0.00 O ATOM 405 CB LYS A 29 8.678 7.835 -3.413 1.00 0.00 C ATOM 406 CG LYS A 29 7.634 8.322 -2.414 1.00 0.00 C ATOM 407 CD LYS A 29 8.025 9.662 -1.808 1.00 0.00 C ATOM 408 CE LYS A 29 7.744 9.702 -0.315 1.00 0.00 C ATOM 409 NZ LYS A 29 8.794 8.993 0.467 1.00 0.00 N ATOM 0 H LYS A 29 7.092 5.918 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 29 9.951 6.163 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.566 8.461 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.289 7.972 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.668 8.414 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.515 7.584 -1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.085 9.847 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.475 10.461 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.684 10.739 0.015 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.774 9.247 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.359 8.525 1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.253 8.280 -0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.504 9.678 0.795 1.00 0.00 H new ATOM 423 N TRP A 30 8.715 5.280 -1.096 1.00 0.00 N ATOM 424 CA TRP A 30 8.993 4.942 0.288 1.00 0.00 C ATOM 425 C TRP A 30 10.069 3.864 0.355 1.00 0.00 C ATOM 426 O TRP A 30 9.783 2.692 0.118 1.00 0.00 O ATOM 427 CB TRP A 30 7.713 4.463 0.970 1.00 0.00 C ATOM 428 CG TRP A 30 6.867 5.580 1.504 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.949 6.321 0.817 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.868 6.082 2.840 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.372 7.249 1.652 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.923 7.122 2.901 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.576 5.750 3.992 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.671 7.830 4.075 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.328 6.452 5.154 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.382 7.481 5.189 1.00 0.00 C ATOM 0 H TRP A 30 7.883 4.831 -1.479 1.00 0.00 H new ATOM 0 HA TRP A 30 9.357 5.828 0.809 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.127 3.882 0.258 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.976 3.793 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.711 6.197 -0.229 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.652 7.921 1.386 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.308 4.956 3.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.941 8.625 4.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.874 6.202 6.052 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.210 8.010 6.114 1.00 0.00 H new ATOM 447 N GLN A 31 11.307 4.272 0.660 1.00 0.00 N ATOM 448 CA GLN A 31 12.440 3.345 0.743 1.00 0.00 C ATOM 449 C GLN A 31 12.034 2.017 1.380 1.00 0.00 C ATOM 450 O GLN A 31 12.186 1.806 2.583 1.00 0.00 O ATOM 451 CB GLN A 31 13.603 3.994 1.507 1.00 0.00 C ATOM 452 CG GLN A 31 13.363 4.155 3.000 1.00 0.00 C ATOM 453 CD GLN A 31 14.305 3.309 3.833 1.00 0.00 C ATOM 454 OE1 GLN A 31 14.602 2.107 3.354 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 14.760 3.730 4.897 1.00 0.00 N flip ATOM 0 H GLN A 31 11.549 5.244 0.854 1.00 0.00 H new ATOM 0 HA GLN A 31 12.772 3.125 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.500 3.392 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.802 4.975 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.483 5.203 3.273 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.333 3.881 3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.505 4.661 5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.392 3.148 5.447 1.00 0.00 H new ATOM 462 N THR A 32 11.493 1.133 0.552 1.00 0.00 N ATOM 463 CA THR A 32 11.035 -0.166 0.994 1.00 0.00 C ATOM 464 C THR A 32 10.957 -1.119 -0.202 1.00 0.00 C ATOM 465 O THR A 32 11.079 -0.695 -1.351 1.00 0.00 O ATOM 466 CB THR A 32 9.667 -0.007 1.672 1.00 0.00 C ATOM 467 OG1 THR A 32 9.820 0.514 2.980 1.00 0.00 O ATOM 468 CG2 THR A 32 8.872 -1.290 1.789 1.00 0.00 C ATOM 0 H THR A 32 11.362 1.302 -0.445 1.00 0.00 H new ATOM 0 HA THR A 32 11.734 -0.590 1.715 1.00 0.00 H new ATOM 0 HB THR A 32 9.115 0.672 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.714 0.905 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.920 -1.085 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.687 -1.696 0.794 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.435 -2.014 2.377 1.00 0.00 H new ATOM 473 N GLN A 33 10.734 -2.393 0.075 1.00 0.00 N ATOM 474 CA GLN A 33 10.615 -3.400 -0.961 1.00 0.00 C ATOM 475 C GLN A 33 9.202 -3.918 -0.950 1.00 0.00 C ATOM 476 O GLN A 33 8.830 -4.721 -0.095 1.00 0.00 O ATOM 477 CB GLN A 33 11.581 -4.553 -0.720 1.00 0.00 C ATOM 478 CG GLN A 33 12.726 -4.627 -1.706 1.00 0.00 C ATOM 479 CD GLN A 33 14.000 -4.025 -1.153 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.868 -2.895 -0.470 1.00 0.00 O flip ATOM 481 NE2 GLN A 33 15.089 -4.568 -1.338 1.00 0.00 N flip ATOM 0 H GLN A 33 10.631 -2.756 1.023 1.00 0.00 H new ATOM 0 HA GLN A 33 10.859 -2.955 -1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.990 -4.464 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.025 -5.490 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.905 -5.668 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.448 -4.106 -2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.142 -5.437 -1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.939 -4.149 -0.959 1.00 0.00 H new ATOM 488 N LEU A 34 8.409 -3.436 -1.874 1.00 0.00 N ATOM 489 CA LEU A 34 7.024 -3.836 -1.936 1.00 0.00 C ATOM 490 C LEU A 34 6.901 -5.263 -2.450 1.00 0.00 C ATOM 491 O LEU A 34 6.321 -5.510 -3.508 1.00 0.00 O ATOM 492 CB LEU A 34 6.212 -2.874 -2.812 1.00 0.00 C ATOM 493 CG LEU A 34 6.715 -1.423 -2.862 1.00 0.00 C ATOM 494 CD1 LEU A 34 7.299 -0.998 -1.519 1.00 0.00 C ATOM 495 CD2 LEU A 34 7.741 -1.256 -3.975 1.00 0.00 C ATOM 0 H LEU A 34 8.696 -2.769 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 34 6.616 -3.797 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.194 -3.267 -3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.182 -2.869 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 34 5.865 -0.775 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.647 0.033 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.532 -1.075 -0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.136 -1.648 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 34 8.088 -0.223 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.587 -1.919 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.284 -1.506 -4.932 1.00 0.00 H new ATOM 501 N ILE A 35 7.457 -6.195 -1.688 1.00 0.00 N ATOM 502 CA ILE A 35 7.422 -7.601 -2.049 1.00 0.00 C ATOM 503 C ILE A 35 5.990 -8.099 -2.170 1.00 0.00 C ATOM 504 O ILE A 35 5.279 -8.224 -1.173 1.00 0.00 O ATOM 505 CB ILE A 35 8.168 -8.446 -1.010 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.597 -7.917 -0.845 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.169 -9.916 -1.421 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.493 -8.866 -0.091 1.00 0.00 C ATOM 0 H ILE A 35 7.940 -5.998 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 35 7.914 -7.703 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 35 7.657 -8.370 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.024 -7.728 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.567 -6.961 -0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.702 -10.503 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.142 -10.273 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.663 -10.024 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.491 -8.435 -0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.086 -9.036 0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.551 -9.814 -0.626 1.00 0.00 H new ATOM 512 N SER A 36 5.571 -8.381 -3.399 1.00 0.00 N ATOM 513 CA SER A 36 4.218 -8.866 -3.654 1.00 0.00 C ATOM 514 C SER A 36 3.187 -8.028 -2.902 1.00 0.00 C ATOM 515 O SER A 36 2.851 -8.312 -1.753 1.00 0.00 O ATOM 516 CB SER A 36 4.106 -10.337 -3.251 1.00 0.00 C ATOM 517 OG SER A 36 2.752 -10.723 -3.089 1.00 0.00 O ATOM 0 H SER A 36 6.148 -8.282 -4.234 1.00 0.00 H new ATOM 0 HA SER A 36 4.014 -8.774 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.576 -10.962 -4.010 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.648 -10.504 -2.320 1.00 0.00 H new ATOM 0 HG SER A 36 2.710 -11.668 -2.833 1.00 0.00 H new ATOM 523 N PRO A 37 2.690 -6.970 -3.555 1.00 0.00 N ATOM 524 CA PRO A 37 1.715 -6.056 -2.988 1.00 0.00 C ATOM 525 C PRO A 37 0.278 -6.413 -3.355 1.00 0.00 C ATOM 526 O PRO A 37 -0.072 -6.493 -4.533 1.00 0.00 O ATOM 527 CB PRO A 37 2.111 -4.723 -3.626 1.00 0.00 C ATOM 528 CG PRO A 37 2.858 -5.074 -4.887 1.00 0.00 C ATOM 529 CD PRO A 37 3.054 -6.563 -4.909 1.00 0.00 C ATOM 0 HA PRO A 37 1.727 -6.064 -1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.231 -4.120 -3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.736 -4.138 -2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.298 -4.750 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.820 -4.562 -4.915 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.421 -7.041 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.084 -6.830 -5.146 1.00 0.00 H new ATOM 537 N HIS A 38 -0.554 -6.613 -2.337 1.00 0.00 N ATOM 538 CA HIS A 38 -1.957 -6.946 -2.548 1.00 0.00 C ATOM 539 C HIS A 38 -2.859 -5.918 -1.901 1.00 0.00 C ATOM 540 O HIS A 38 -2.408 -5.054 -1.151 1.00 0.00 O ATOM 541 CB HIS A 38 -2.286 -8.314 -1.962 1.00 0.00 C ATOM 542 CG HIS A 38 -2.681 -9.334 -2.976 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.680 -9.338 -3.889 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -2.030 -10.537 -3.116 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.616 -10.537 -4.554 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.612 -11.242 -4.068 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.279 -6.550 -1.357 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.127 -6.958 -3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.418 -8.680 -1.414 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.095 -8.203 -1.240 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.176 -10.855 -2.537 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.279 -10.852 -5.346 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.333 -12.174 -4.376 1.00 0.00 H new ATOM 555 N PHE A 39 -4.141 -6.045 -2.180 1.00 0.00 N ATOM 556 CA PHE A 39 -5.132 -5.155 -1.612 1.00 0.00 C ATOM 557 C PHE A 39 -6.472 -5.861 -1.471 1.00 0.00 C ATOM 558 O PHE A 39 -7.172 -6.090 -2.453 1.00 0.00 O ATOM 559 CB PHE A 39 -5.269 -3.891 -2.451 1.00 0.00 C ATOM 560 CG PHE A 39 -4.700 -2.671 -1.784 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.333 -2.446 -1.763 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.536 -1.753 -1.170 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.811 -1.326 -1.143 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.021 -0.633 -0.548 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.657 -0.418 -0.534 1.00 0.00 C ATOM 0 H PHE A 39 -4.522 -6.760 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.797 -4.864 -0.617 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.767 -4.041 -3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.323 -3.720 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.668 -3.153 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.604 -1.915 -1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.744 -1.161 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.684 0.074 -0.073 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.252 0.458 -0.048 1.00 0.00 H new ATOM 575 N VAL A 40 -6.824 -6.199 -0.238 1.00 0.00 N ATOM 576 CA VAL A 40 -8.075 -6.868 0.040 1.00 0.00 C ATOM 577 C VAL A 40 -9.168 -5.832 0.270 1.00 0.00 C ATOM 578 O VAL A 40 -9.412 -5.396 1.396 1.00 0.00 O ATOM 579 CB VAL A 40 -7.942 -7.780 1.269 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.235 -8.524 1.523 1.00 0.00 C ATOM 581 CG2 VAL A 40 -6.785 -8.754 1.083 1.00 0.00 C ATOM 0 H VAL A 40 -6.252 -6.017 0.587 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.340 -7.488 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.732 -7.160 2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.120 -9.165 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.038 -7.808 1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.479 -9.136 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.703 -9.394 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.966 -9.369 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.858 -8.197 0.952 1.00 0.00 H new ATOM 585 N LEU A 41 -9.798 -5.428 -0.826 1.00 0.00 N ATOM 586 CA LEU A 41 -10.851 -4.421 -0.795 1.00 0.00 C ATOM 587 C LEU A 41 -12.220 -5.051 -0.595 1.00 0.00 C ATOM 588 O LEU A 41 -12.551 -6.052 -1.227 1.00 0.00 O ATOM 589 CB LEU A 41 -10.839 -3.642 -2.108 1.00 0.00 C ATOM 590 CG LEU A 41 -11.752 -2.421 -2.165 1.00 0.00 C ATOM 591 CD1 LEU A 41 -10.986 -1.158 -1.805 1.00 0.00 C ATOM 592 CD2 LEU A 41 -12.368 -2.298 -3.550 1.00 0.00 C ATOM 0 H LEU A 41 -9.594 -5.788 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.660 -3.754 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.817 -3.318 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.120 -4.320 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.551 -2.549 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.657 -0.300 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.586 -1.251 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.166 -1.017 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.018 -1.424 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.577 -2.189 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -12.951 -3.192 -3.770 1.00 0.00 H new ATOM 598 N ASN A 42 -13.019 -4.446 0.275 1.00 0.00 N ATOM 599 CA ASN A 42 -14.364 -4.943 0.538 1.00 0.00 C ATOM 600 C ASN A 42 -15.314 -3.823 0.941 1.00 0.00 C ATOM 601 O ASN A 42 -14.898 -2.746 1.370 1.00 0.00 O ATOM 602 CB ASN A 42 -14.361 -6.021 1.621 1.00 0.00 C ATOM 603 CG ASN A 42 -13.432 -7.172 1.296 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.499 -7.753 0.214 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.565 -7.515 2.237 1.00 0.00 N ATOM 0 H ASN A 42 -12.761 -3.615 0.808 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.718 -5.380 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.063 -5.576 2.570 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.374 -6.402 1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.919 -8.288 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.543 -7.006 3.121 1.00 0.00 H new ATOM 610 N LYS A 43 -16.597 -4.102 0.797 1.00 0.00 N ATOM 611 CA LYS A 43 -17.646 -3.151 1.138 1.00 0.00 C ATOM 612 C LYS A 43 -18.619 -3.795 2.113 1.00 0.00 C ATOM 613 O LYS A 43 -18.623 -5.013 2.285 1.00 0.00 O ATOM 614 CB LYS A 43 -18.418 -2.726 -0.122 1.00 0.00 C ATOM 615 CG LYS A 43 -19.921 -2.552 0.108 1.00 0.00 C ATOM 616 CD LYS A 43 -20.642 -2.142 -1.166 1.00 0.00 C ATOM 617 CE LYS A 43 -21.586 -0.974 -0.923 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.368 -0.629 -2.141 1.00 0.00 N ATOM 0 H LYS A 43 -16.944 -4.993 0.441 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.184 -2.274 1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.005 -1.787 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.262 -3.472 -0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.343 -3.486 0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.086 -1.799 0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.911 -1.868 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.204 -2.990 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.270 -1.223 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.012 -0.105 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.999 0.171 -1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.717 -0.367 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.935 -1.450 -2.433 1.00 0.00 H new ATOM 632 N VAL A 44 -19.467 -2.978 2.715 1.00 0.00 N ATOM 633 CA VAL A 44 -20.466 -3.481 3.629 1.00 0.00 C ATOM 634 C VAL A 44 -21.609 -2.482 3.814 1.00 0.00 C ATOM 635 O VAL A 44 -21.449 -1.288 3.577 1.00 0.00 O ATOM 636 CB VAL A 44 -19.863 -3.824 4.990 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.102 -5.141 4.930 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.968 -2.704 5.499 1.00 0.00 C ATOM 0 H VAL A 44 -19.480 -1.966 2.585 1.00 0.00 H new ATOM 0 HA VAL A 44 -20.864 -4.393 3.184 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.685 -3.937 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -18.682 -5.364 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -19.782 -5.941 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.297 -5.063 4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.555 -2.980 6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.155 -2.539 4.792 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.552 -1.789 5.600 1.00 0.00 H new ATOM 642 N PRO A 45 -22.789 -2.963 4.233 1.00 0.00 N ATOM 643 CA PRO A 45 -23.959 -2.104 4.440 1.00 0.00 C ATOM 644 C PRO A 45 -23.644 -0.873 5.283 1.00 0.00 C ATOM 645 O PRO A 45 -24.086 0.234 4.974 1.00 0.00 O ATOM 646 CB PRO A 45 -24.941 -3.019 5.174 1.00 0.00 C ATOM 647 CG PRO A 45 -24.569 -4.395 4.742 1.00 0.00 C ATOM 648 CD PRO A 45 -23.078 -4.378 4.535 1.00 0.00 C ATOM 0 HA PRO A 45 -24.341 -1.707 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.855 -2.906 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -25.973 -2.786 4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -24.849 -5.130 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.087 -4.669 3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.545 -4.716 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.779 -5.032 3.716 1.00 0.00 H new ATOM 656 N ASN A 46 -22.889 -1.078 6.355 1.00 0.00 N ATOM 657 CA ASN A 46 -22.522 0.011 7.257 1.00 0.00 C ATOM 658 C ASN A 46 -21.341 0.829 6.731 1.00 0.00 C ATOM 659 O ASN A 46 -20.829 1.700 7.436 1.00 0.00 O ATOM 660 CB ASN A 46 -22.186 -0.546 8.641 1.00 0.00 C ATOM 661 CG ASN A 46 -20.994 -1.483 8.614 1.00 0.00 C ATOM 662 OD1 ASN A 46 -21.096 -2.624 8.163 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.855 -1.004 9.100 1.00 0.00 N ATOM 0 H ASN A 46 -22.517 -1.989 6.623 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.381 0.678 7.322 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.980 0.280 9.322 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -23.052 -1.076 9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.019 -1.588 9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.816 -0.052 9.464 1.00 0.00 H new ATOM 668 N GLY A 47 -20.898 0.553 5.505 1.00 0.00 N ATOM 669 CA GLY A 47 -19.778 1.286 4.954 1.00 0.00 C ATOM 670 C GLY A 47 -18.931 0.453 4.022 1.00 0.00 C ATOM 671 O GLY A 47 -19.422 -0.416 3.306 1.00 0.00 O ATOM 0 H GLY A 47 -21.293 -0.159 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.150 2.158 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.156 1.656 5.769 1.00 0.00 H new ATOM 675 N PHE A 48 -17.651 0.739 4.039 1.00 0.00 N ATOM 676 CA PHE A 48 -16.687 0.044 3.211 1.00 0.00 C ATOM 677 C PHE A 48 -15.532 -0.461 4.063 1.00 0.00 C ATOM 678 O PHE A 48 -14.942 0.303 4.832 1.00 0.00 O ATOM 679 CB PHE A 48 -16.135 0.986 2.148 1.00 0.00 C ATOM 680 CG PHE A 48 -17.057 1.258 0.998 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.973 2.295 1.048 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.986 0.486 -0.142 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.802 2.550 -0.028 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.810 0.731 -1.218 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.719 1.764 -1.162 1.00 0.00 C ATOM 0 H PHE A 48 -17.244 1.464 4.630 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.188 -0.798 2.734 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.881 1.934 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.208 0.566 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -18.040 2.909 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.273 -0.324 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.513 3.362 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.744 0.115 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.367 1.960 -2.004 1.00 0.00 H new ATOM 695 N SER A 49 -15.188 -1.733 3.906 1.00 0.00 N ATOM 696 CA SER A 49 -14.075 -2.305 4.644 1.00 0.00 C ATOM 697 C SER A 49 -12.946 -2.615 3.689 1.00 0.00 C ATOM 698 O SER A 49 -13.102 -3.376 2.735 1.00 0.00 O ATOM 699 CB SER A 49 -14.476 -3.559 5.407 1.00 0.00 C ATOM 700 OG SER A 49 -15.824 -3.915 5.149 1.00 0.00 O ATOM 0 H SER A 49 -15.662 -2.382 3.278 1.00 0.00 H new ATOM 0 HA SER A 49 -13.749 -1.571 5.381 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.821 -4.383 5.125 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.340 -3.395 6.476 1.00 0.00 H new ATOM 0 HG SER A 49 -16.050 -4.725 5.652 1.00 0.00 H new ATOM 706 N VAL A 50 -11.814 -2.008 3.947 1.00 0.00 N ATOM 707 CA VAL A 50 -10.645 -2.188 3.104 1.00 0.00 C ATOM 708 C VAL A 50 -9.479 -2.763 3.896 1.00 0.00 C ATOM 709 O VAL A 50 -9.371 -2.541 5.099 1.00 0.00 O ATOM 710 CB VAL A 50 -10.199 -0.855 2.466 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.542 -1.102 1.118 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.377 0.102 2.322 1.00 0.00 C ATOM 0 H VAL A 50 -11.671 -1.380 4.738 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.931 -2.886 2.317 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.467 -0.391 3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.234 -0.151 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.668 -1.740 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.252 -1.593 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.036 1.033 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.139 -0.351 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.800 0.309 3.305 1.00 0.00 H new ATOM 716 N GLU A 51 -8.608 -3.492 3.210 1.00 0.00 N ATOM 717 CA GLU A 51 -7.439 -4.092 3.845 1.00 0.00 C ATOM 718 C GLU A 51 -6.303 -4.218 2.838 1.00 0.00 C ATOM 719 O GLU A 51 -6.509 -4.668 1.713 1.00 0.00 O ATOM 720 CB GLU A 51 -7.799 -5.458 4.438 1.00 0.00 C ATOM 721 CG GLU A 51 -6.610 -6.234 4.985 1.00 0.00 C ATOM 722 CD GLU A 51 -6.796 -7.734 4.882 1.00 0.00 C ATOM 723 OE1 GLU A 51 -6.555 -8.289 3.789 1.00 0.00 O ATOM 724 OE2 GLU A 51 -7.183 -8.356 5.894 1.00 0.00 O ATOM 0 H GLU A 51 -8.688 -3.683 2.211 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.106 -3.446 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.524 -5.314 5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.287 -6.058 3.670 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.711 -5.945 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.452 -5.962 6.029 1.00 0.00 H new ATOM 731 N ALA A 52 -5.108 -3.803 3.240 1.00 0.00 N ATOM 732 CA ALA A 52 -3.947 -3.862 2.360 1.00 0.00 C ATOM 733 C ALA A 52 -2.883 -4.808 2.901 1.00 0.00 C ATOM 734 O ALA A 52 -2.834 -5.084 4.101 1.00 0.00 O ATOM 735 CB ALA A 52 -3.366 -2.470 2.165 1.00 0.00 C ATOM 0 H ALA A 52 -4.917 -3.423 4.167 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.277 -4.250 1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.500 -2.526 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.119 -1.821 1.719 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.062 -2.064 3.130 1.00 0.00 H new ATOM 741 N SER A 53 -2.032 -5.298 2.003 1.00 0.00 N ATOM 742 CA SER A 53 -0.960 -6.213 2.377 1.00 0.00 C ATOM 743 C SER A 53 0.196 -6.136 1.382 1.00 0.00 C ATOM 744 O SER A 53 0.054 -6.521 0.221 1.00 0.00 O ATOM 745 CB SER A 53 -1.488 -7.647 2.452 1.00 0.00 C ATOM 746 OG SER A 53 -2.658 -7.720 3.248 1.00 0.00 O ATOM 0 H SER A 53 -2.065 -5.075 1.008 1.00 0.00 H new ATOM 0 HA SER A 53 -0.590 -5.917 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.705 -8.011 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.720 -8.299 2.868 1.00 0.00 H new ATOM 0 HG SER A 53 -2.976 -8.647 3.278 1.00 0.00 H new ATOM 752 N ILE A 54 1.342 -5.637 1.843 1.00 0.00 N ATOM 753 CA ILE A 54 2.522 -5.511 0.989 1.00 0.00 C ATOM 754 C ILE A 54 3.780 -5.979 1.718 1.00 0.00 C ATOM 755 O ILE A 54 4.189 -5.385 2.713 1.00 0.00 O ATOM 756 CB ILE A 54 2.726 -4.057 0.519 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.422 -3.492 -0.053 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.842 -3.989 -0.514 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.560 -2.101 -0.641 1.00 0.00 C ATOM 0 H ILE A 54 1.478 -5.314 2.801 1.00 0.00 H new ATOM 0 HA ILE A 54 2.351 -6.144 0.119 1.00 0.00 H new ATOM 0 HB ILE A 54 3.013 -3.449 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.053 -4.167 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.670 -3.469 0.736 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.976 -2.957 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.769 -4.354 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.581 -4.608 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.595 -1.771 -1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.898 -1.411 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.286 -2.120 -1.453 1.00 0.00 H new ATOM 763 N GLY A 55 4.396 -7.044 1.216 1.00 0.00 N ATOM 764 CA GLY A 55 5.592 -7.562 1.828 1.00 0.00 C ATOM 765 C GLY A 55 6.722 -6.566 1.824 1.00 0.00 C ATOM 766 O GLY A 55 6.791 -5.679 0.973 1.00 0.00 O ATOM 0 H GLY A 55 4.081 -7.556 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.373 -7.854 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.905 -8.463 1.301 1.00 0.00 H new ATOM 770 N THR A 56 7.611 -6.732 2.780 1.00 0.00 N ATOM 771 CA THR A 56 8.774 -5.864 2.915 1.00 0.00 C ATOM 772 C THR A 56 9.899 -6.573 3.660 1.00 0.00 C ATOM 773 O THR A 56 9.650 -7.282 4.635 1.00 0.00 O ATOM 774 CB THR A 56 8.436 -4.562 3.655 1.00 0.00 C ATOM 775 OG1 THR A 56 8.913 -4.604 4.996 1.00 0.00 O ATOM 776 CG2 THR A 56 6.959 -4.236 3.689 1.00 0.00 C ATOM 0 H THR A 56 7.554 -7.467 3.485 1.00 0.00 H new ATOM 0 HA THR A 56 9.097 -5.619 1.903 1.00 0.00 H new ATOM 0 HB THR A 56 8.934 -3.778 3.084 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.186 -4.877 5.594 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.805 -3.302 4.229 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.586 -4.132 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.421 -5.039 4.192 1.00 0.00 H new ATOM 781 N PRO A 57 11.162 -6.369 3.245 1.00 0.00 N ATOM 782 CA PRO A 57 12.301 -6.977 3.929 1.00 0.00 C ATOM 783 C PRO A 57 12.341 -6.562 5.396 1.00 0.00 C ATOM 784 O PRO A 57 13.061 -7.151 6.203 1.00 0.00 O ATOM 785 CB PRO A 57 13.526 -6.420 3.195 1.00 0.00 C ATOM 786 CG PRO A 57 13.013 -5.896 1.897 1.00 0.00 C ATOM 787 CD PRO A 57 11.577 -5.517 2.118 1.00 0.00 C ATOM 0 HA PRO A 57 12.254 -8.066 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.005 -5.631 3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.274 -7.197 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.595 -5.033 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.097 -6.651 1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.474 -4.458 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.972 -5.704 1.231 1.00 0.00 H new ATOM 795 N LEU A 58 11.560 -5.533 5.730 1.00 0.00 N ATOM 796 CA LEU A 58 11.499 -5.023 7.088 1.00 0.00 C ATOM 797 C LEU A 58 10.277 -5.583 7.820 1.00 0.00 C ATOM 798 O LEU A 58 10.184 -5.504 9.046 1.00 0.00 O ATOM 799 CB LEU A 58 11.466 -3.492 7.057 1.00 0.00 C ATOM 800 CG LEU A 58 12.707 -2.833 6.431 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.361 -2.129 5.119 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.340 -1.855 7.410 1.00 0.00 C ATOM 0 H LEU A 58 10.960 -5.039 5.070 1.00 0.00 H new ATOM 0 HA LEU A 58 12.387 -5.345 7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.584 -3.173 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.352 -3.124 8.077 1.00 0.00 H new ATOM 0 HG LEU A 58 13.427 -3.620 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.259 -1.674 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.960 -2.855 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.616 -1.356 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.217 -1.397 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.619 -1.079 7.667 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.639 -2.387 8.313 1.00 0.00 H new ATOM 808 N GLY A 59 9.349 -6.161 7.057 1.00 0.00 N ATOM 809 CA GLY A 59 8.153 -6.743 7.638 1.00 0.00 C ATOM 810 C GLY A 59 6.940 -6.604 6.741 1.00 0.00 C ATOM 811 O GLY A 59 6.657 -5.522 6.227 1.00 0.00 O ATOM 0 H GLY A 59 9.407 -6.235 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.330 -7.799 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.949 -6.263 8.595 1.00 0.00 H new ATOM 815 N ASN A 60 6.223 -7.709 6.550 1.00 0.00 N ATOM 816 CA ASN A 60 5.032 -7.720 5.710 1.00 0.00 C ATOM 817 C ASN A 60 4.057 -6.625 6.127 1.00 0.00 C ATOM 818 O ASN A 60 3.502 -6.664 7.225 1.00 0.00 O ATOM 819 CB ASN A 60 4.339 -9.075 5.801 1.00 0.00 C ATOM 820 CG ASN A 60 5.291 -10.233 5.570 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.492 -10.035 5.386 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.758 -11.450 5.576 1.00 0.00 N ATOM 0 H ASN A 60 6.449 -8.611 6.969 1.00 0.00 H new ATOM 0 HA ASN A 60 5.345 -7.536 4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.879 -9.178 6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.535 -9.118 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.350 -12.267 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.757 -11.568 5.733 1.00 0.00 H new ATOM 827 N LEU A 61 3.842 -5.655 5.246 1.00 0.00 N ATOM 828 CA LEU A 61 2.920 -4.566 5.539 1.00 0.00 C ATOM 829 C LEU A 61 1.483 -5.046 5.419 1.00 0.00 C ATOM 830 O LEU A 61 1.141 -5.772 4.488 1.00 0.00 O ATOM 831 CB LEU A 61 3.130 -3.381 4.587 1.00 0.00 C ATOM 832 CG LEU A 61 4.318 -2.468 4.904 1.00 0.00 C ATOM 833 CD1 LEU A 61 5.009 -2.029 3.620 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.866 -1.250 5.701 1.00 0.00 C ATOM 0 H LEU A 61 4.289 -5.600 4.331 1.00 0.00 H new ATOM 0 HA LEU A 61 3.119 -4.236 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.256 -3.770 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.223 -2.777 4.585 1.00 0.00 H new ATOM 0 HG LEU A 61 5.028 -3.032 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.851 -1.381 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.370 -2.906 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.302 -1.485 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.726 -0.616 5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.135 -0.687 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.413 -1.576 6.638 1.00 0.00 H new ATOM 840 N LEU A 62 0.646 -4.622 6.354 1.00 0.00 N ATOM 841 CA LEU A 62 -0.758 -4.991 6.347 1.00 0.00 C ATOM 842 C LEU A 62 -1.588 -3.887 6.976 1.00 0.00 C ATOM 843 O LEU A 62 -1.117 -3.160 7.849 1.00 0.00 O ATOM 844 CB LEU A 62 -0.991 -6.300 7.096 1.00 0.00 C ATOM 845 CG LEU A 62 0.004 -7.418 6.781 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.111 -8.538 7.804 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.230 -7.950 5.374 1.00 0.00 C ATOM 0 H LEU A 62 0.919 -4.019 7.130 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.063 -5.132 5.310 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.959 -6.098 8.167 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.996 -6.656 6.869 1.00 0.00 H new ATOM 0 HG LEU A 62 1.014 -7.011 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.604 -9.325 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.101 -8.146 8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.121 -8.947 7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.485 -8.745 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.244 -8.343 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.099 -7.143 4.653 1.00 0.00 H new ATOM 853 N ALA A 63 -2.823 -3.771 6.529 1.00 0.00 N ATOM 854 CA ALA A 63 -3.727 -2.755 7.049 1.00 0.00 C ATOM 855 C ALA A 63 -5.175 -3.136 6.787 1.00 0.00 C ATOM 856 O ALA A 63 -5.460 -3.979 5.938 1.00 0.00 O ATOM 857 CB ALA A 63 -3.412 -1.399 6.436 1.00 0.00 C ATOM 0 H ALA A 63 -3.227 -4.367 5.806 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.583 -2.689 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.097 -0.651 6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.387 -1.119 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.526 -1.454 5.353 1.00 0.00 H new ATOM 863 N SER A 64 -6.085 -2.509 7.521 1.00 0.00 N ATOM 864 CA SER A 64 -7.507 -2.786 7.367 1.00 0.00 C ATOM 865 C SER A 64 -8.345 -1.752 8.112 1.00 0.00 C ATOM 866 O SER A 64 -8.040 -1.399 9.251 1.00 0.00 O ATOM 867 CB SER A 64 -7.833 -4.191 7.879 1.00 0.00 C ATOM 868 OG SER A 64 -6.902 -4.603 8.865 1.00 0.00 O ATOM 0 H SER A 64 -5.865 -1.807 8.227 1.00 0.00 H new ATOM 0 HA SER A 64 -7.751 -2.729 6.306 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.840 -4.205 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.823 -4.896 7.048 1.00 0.00 H new ATOM 0 HG SER A 64 -7.133 -5.503 9.177 1.00 0.00 H new ATOM 874 N ALA A 65 -9.400 -1.266 7.464 1.00 0.00 N ATOM 875 CA ALA A 65 -10.270 -0.269 8.076 1.00 0.00 C ATOM 876 C ALA A 65 -11.681 -0.322 7.497 1.00 0.00 C ATOM 877 O ALA A 65 -11.893 -0.810 6.386 1.00 0.00 O ATOM 878 CB ALA A 65 -9.680 1.121 7.900 1.00 0.00 C ATOM 0 H ALA A 65 -9.671 -1.545 6.521 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.340 -0.497 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.339 1.857 8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.700 1.163 8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.578 1.341 6.837 1.00 0.00 H new ATOM 884 N THR A 66 -12.639 0.191 8.264 1.00 0.00 N ATOM 885 CA THR A 66 -14.037 0.219 7.845 1.00 0.00 C ATOM 886 C THR A 66 -14.606 1.626 7.988 1.00 0.00 C ATOM 887 O THR A 66 -14.425 2.269 9.023 1.00 0.00 O ATOM 888 CB THR A 66 -14.861 -0.758 8.684 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.339 -2.071 8.589 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.320 -0.811 8.283 1.00 0.00 C ATOM 0 H THR A 66 -12.471 0.596 9.185 1.00 0.00 H new ATOM 0 HA THR A 66 -14.088 -0.079 6.798 1.00 0.00 H new ATOM 0 HB THR A 66 -14.796 -0.383 9.705 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.881 -2.679 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.846 -1.523 8.918 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.765 0.177 8.399 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.400 -1.125 7.242 1.00 0.00 H new ATOM 895 N SER A 67 -15.290 2.108 6.954 1.00 0.00 N ATOM 896 CA SER A 67 -15.870 3.443 6.997 1.00 0.00 C ATOM 897 C SER A 67 -16.859 3.650 5.860 1.00 0.00 C ATOM 898 O SER A 67 -16.828 2.938 4.859 1.00 0.00 O ATOM 899 CB SER A 67 -14.767 4.497 6.912 1.00 0.00 C ATOM 900 OG SER A 67 -14.716 5.281 8.091 1.00 0.00 O ATOM 0 H SER A 67 -15.454 1.599 6.086 1.00 0.00 H new ATOM 0 HA SER A 67 -16.403 3.546 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.805 4.009 6.755 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.942 5.142 6.051 1.00 0.00 H new ATOM 0 HG SER A 67 -14.001 5.946 8.011 1.00 0.00 H new ATOM 906 N ASP A 68 -17.722 4.646 6.013 1.00 0.00 N ATOM 907 CA ASP A 68 -18.708 4.960 4.990 1.00 0.00 C ATOM 908 C ASP A 68 -18.079 5.776 3.862 1.00 0.00 C ATOM 909 O ASP A 68 -18.772 6.212 2.942 1.00 0.00 O ATOM 910 CB ASP A 68 -19.880 5.730 5.600 1.00 0.00 C ATOM 911 CG ASP A 68 -21.202 5.391 4.938 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.275 5.451 3.693 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.164 5.065 5.666 1.00 0.00 O ATOM 0 H ASP A 68 -17.758 5.249 6.835 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.077 4.022 4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.943 5.507 6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.695 6.800 5.509 1.00 0.00 H new ATOM 918 N ASP A 69 -16.762 5.984 3.934 1.00 0.00 N ATOM 919 CA ASP A 69 -16.057 6.749 2.915 1.00 0.00 C ATOM 920 C ASP A 69 -15.001 5.893 2.220 1.00 0.00 C ATOM 921 O ASP A 69 -13.891 5.725 2.717 1.00 0.00 O ATOM 922 CB ASP A 69 -15.409 7.985 3.536 1.00 0.00 C ATOM 923 CG ASP A 69 -16.386 9.136 3.685 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.431 8.947 4.341 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.104 10.226 3.145 1.00 0.00 O ATOM 0 H ASP A 69 -16.169 5.633 4.686 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.783 7.067 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.004 7.727 4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.570 8.302 2.917 1.00 0.00 H new ATOM 930 N MET A 70 -15.377 5.352 1.068 1.00 0.00 N ATOM 931 CA MET A 70 -14.507 4.498 0.264 1.00 0.00 C ATOM 932 C MET A 70 -13.049 4.969 0.242 1.00 0.00 C ATOM 933 O MET A 70 -12.161 4.313 0.800 1.00 0.00 O ATOM 934 CB MET A 70 -15.051 4.447 -1.166 1.00 0.00 C ATOM 935 CG MET A 70 -15.689 3.117 -1.530 1.00 0.00 C ATOM 936 SD MET A 70 -15.005 2.407 -3.039 1.00 0.00 S ATOM 937 CE MET A 70 -13.556 1.586 -2.385 1.00 0.00 C ATOM 0 H MET A 70 -16.301 5.494 0.661 1.00 0.00 H new ATOM 0 HA MET A 70 -14.507 3.509 0.722 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.788 5.240 -1.293 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.238 4.652 -1.862 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.550 2.415 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.763 3.256 -1.653 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.704 1.779 -3.036 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.342 1.966 -1.386 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.738 0.513 -2.334 1.00 0.00 H new ATOM 947 N TYR A 71 -12.802 6.087 -0.430 1.00 0.00 N ATOM 948 CA TYR A 71 -11.449 6.610 -0.553 1.00 0.00 C ATOM 949 C TYR A 71 -10.872 7.024 0.786 1.00 0.00 C ATOM 950 O TYR A 71 -9.656 7.055 0.943 1.00 0.00 O ATOM 951 CB TYR A 71 -11.402 7.745 -1.573 1.00 0.00 C ATOM 952 CG TYR A 71 -11.104 7.234 -2.967 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.369 5.909 -3.301 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.555 8.056 -3.941 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.099 5.417 -4.556 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.280 7.571 -5.208 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.553 6.251 -5.509 1.00 0.00 C ATOM 958 OH TYR A 71 -10.283 5.768 -6.769 1.00 0.00 O ATOM 0 H TYR A 71 -13.517 6.646 -0.895 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.814 5.804 -0.921 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.356 8.272 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.640 8.467 -1.279 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.796 5.253 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.339 9.088 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.313 4.385 -4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.854 8.222 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.520 6.252 -7.148 1.00 0.00 H new ATOM 968 N LYS A 72 -11.733 7.291 1.762 1.00 0.00 N ATOM 969 CA LYS A 72 -11.261 7.640 3.094 1.00 0.00 C ATOM 970 C LYS A 72 -10.796 6.370 3.792 1.00 0.00 C ATOM 971 O LYS A 72 -9.770 6.355 4.465 1.00 0.00 O ATOM 972 CB LYS A 72 -12.346 8.298 3.904 1.00 0.00 C ATOM 973 CG LYS A 72 -11.859 8.888 5.217 1.00 0.00 C ATOM 974 CD LYS A 72 -12.776 9.999 5.702 1.00 0.00 C ATOM 975 CE LYS A 72 -12.002 11.083 6.434 1.00 0.00 C ATOM 976 NZ LYS A 72 -12.746 11.594 7.618 1.00 0.00 N ATOM 0 H LYS A 72 -12.747 7.273 1.657 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.438 8.349 3.003 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.802 9.089 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.126 7.565 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.805 8.104 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.849 9.278 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.300 10.436 4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.535 9.582 6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.038 10.687 6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.797 11.907 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.184 12.331 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.655 11.995 7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.919 10.813 8.283 1.00 0.00 H new ATOM 990 N ALA A 73 -11.547 5.284 3.586 1.00 0.00 N ATOM 991 CA ALA A 73 -11.184 3.994 4.151 1.00 0.00 C ATOM 992 C ALA A 73 -9.843 3.612 3.564 1.00 0.00 C ATOM 993 O ALA A 73 -8.907 3.239 4.275 1.00 0.00 O ATOM 994 CB ALA A 73 -12.240 2.944 3.836 1.00 0.00 C ATOM 0 H ALA A 73 -12.405 5.278 3.034 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.121 4.055 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.944 1.989 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.197 3.253 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.336 2.837 2.755 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.744 3.795 2.249 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.501 3.565 1.540 1.00 0.00 C ATOM 1002 C ILE A 74 -7.490 4.569 2.077 1.00 0.00 C ATOM 1003 O ILE A 74 -6.317 4.257 2.303 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.704 3.747 0.016 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.249 2.456 -0.586 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.416 4.157 -0.686 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.576 2.620 -1.285 1.00 0.00 C ATOM 0 H ILE A 74 -10.516 4.103 1.657 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.147 2.546 1.695 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.422 4.553 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.522 2.062 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.356 1.714 0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.605 4.273 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.062 5.102 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.658 3.389 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.897 1.659 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.319 2.983 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.472 3.337 -2.100 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.005 5.770 2.326 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.242 6.859 2.891 1.00 0.00 C ATOM 1013 C ASN A 75 -6.652 6.425 4.226 1.00 0.00 C ATOM 1014 O ASN A 75 -5.506 6.736 4.551 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.186 8.052 3.061 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.504 9.373 2.835 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.758 9.864 3.680 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.765 9.955 1.676 1.00 0.00 N ATOM 0 H ASN A 75 -8.978 6.009 2.135 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.415 7.142 2.240 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.017 7.954 2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.609 8.034 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.339 10.854 1.449 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.392 9.505 1.009 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.450 5.678 4.979 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.032 5.154 6.273 1.00 0.00 C ATOM 1025 C GLU A 76 -6.000 4.043 6.086 1.00 0.00 C ATOM 1026 O GLU A 76 -4.895 4.107 6.634 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.247 4.626 7.041 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.388 5.212 8.436 1.00 0.00 C ATOM 1029 CD GLU A 76 -7.186 4.921 9.314 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -6.173 5.643 9.191 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -7.258 3.974 10.123 1.00 0.00 O ATOM 0 H GLU A 76 -8.400 5.420 4.712 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.575 5.959 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.150 4.846 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.174 3.541 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.526 6.291 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.284 4.808 8.907 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.360 3.027 5.296 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.457 1.911 5.026 1.00 0.00 C ATOM 1040 C VAL A 77 -4.088 2.423 4.626 1.00 0.00 C ATOM 1041 O VAL A 77 -3.072 2.034 5.202 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.977 1.004 3.898 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.223 -0.317 3.884 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.467 0.776 4.041 1.00 0.00 C ATOM 0 H VAL A 77 -7.267 2.957 4.835 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.397 1.331 5.947 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.802 1.504 2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.605 -0.945 3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.161 -0.128 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.362 -0.825 4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.816 0.132 3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.672 0.299 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.988 1.732 3.993 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.067 3.305 3.633 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.817 3.875 3.163 1.00 0.00 C ATOM 1050 C GLU A 78 -2.074 4.533 4.317 1.00 0.00 C ATOM 1051 O GLU A 78 -0.844 4.535 4.361 1.00 0.00 O ATOM 1052 CB GLU A 78 -3.070 4.890 2.046 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.799 5.496 1.476 1.00 0.00 C ATOM 1054 CD GLU A 78 -0.995 4.505 0.657 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.258 3.289 0.770 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.103 4.945 -0.098 1.00 0.00 O ATOM 0 H GLU A 78 -4.897 3.637 3.143 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.201 3.071 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.623 4.403 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.704 5.690 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.057 6.352 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.182 5.871 2.293 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.836 5.072 5.264 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.255 5.712 6.433 1.00 0.00 C ATOM 1065 C GLU A 79 -1.612 4.661 7.326 1.00 0.00 C ATOM 1066 O GLU A 79 -0.500 4.849 7.822 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.323 6.489 7.206 1.00 0.00 C ATOM 1068 CG GLU A 79 -3.136 7.996 7.153 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.433 8.668 8.479 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -2.526 8.717 9.336 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -4.573 9.146 8.660 1.00 0.00 O ATOM 0 H GLU A 79 -3.856 5.077 5.242 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.491 6.418 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.305 6.239 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.313 6.166 8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.111 8.221 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.788 8.412 6.385 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.309 3.541 7.510 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.784 2.453 8.325 1.00 0.00 C ATOM 1080 C LYS A 80 -0.601 1.804 7.617 1.00 0.00 C ATOM 1081 O LYS A 80 0.424 1.509 8.233 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.874 1.413 8.606 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.174 1.232 10.085 1.00 0.00 C ATOM 1084 CD LYS A 80 -3.449 -0.225 10.424 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.615 -0.362 11.391 1.00 0.00 C ATOM 1086 NZ LYS A 80 -5.364 -1.632 11.181 1.00 0.00 N ATOM 0 H LYS A 80 -3.230 3.366 7.109 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.449 2.859 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.788 1.709 8.092 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.568 0.455 8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.331 1.591 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.036 1.839 10.359 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.666 -0.778 9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.557 -0.672 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.244 -0.325 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.292 0.483 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.718 -1.981 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.166 -1.460 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.732 -2.342 10.760 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.748 1.600 6.310 1.00 0.00 N ATOM 1101 CA LEU A 81 0.310 1.002 5.504 1.00 0.00 C ATOM 1102 C LEU A 81 1.539 1.909 5.491 1.00 0.00 C ATOM 1103 O LEU A 81 2.667 1.440 5.663 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.188 0.737 4.073 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.144 -0.726 3.612 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.248 -1.085 3.119 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.578 -1.665 4.730 1.00 0.00 C ATOM 0 H LEU A 81 -1.590 1.841 5.788 1.00 0.00 H new ATOM 0 HA LEU A 81 0.591 0.047 5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.215 1.093 3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.410 1.334 3.384 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.845 -0.843 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.262 -2.126 2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.514 -0.441 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.967 -0.946 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.537 -2.695 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.090 -1.548 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.598 -1.425 5.032 1.00 0.00 H new ATOM 1113 N GLU A 82 1.321 3.212 5.308 1.00 0.00 N ATOM 1114 CA GLU A 82 2.421 4.168 5.298 1.00 0.00 C ATOM 1115 C GLU A 82 3.035 4.271 6.687 1.00 0.00 C ATOM 1116 O GLU A 82 4.236 4.053 6.868 1.00 0.00 O ATOM 1117 CB GLU A 82 1.938 5.539 4.836 1.00 0.00 C ATOM 1118 CG GLU A 82 3.065 6.492 4.481 1.00 0.00 C ATOM 1119 CD GLU A 82 2.715 7.404 3.321 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.845 6.965 2.160 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.310 8.558 3.576 1.00 0.00 O ATOM 0 H GLU A 82 0.399 3.624 5.166 1.00 0.00 H new ATOM 0 HA GLU A 82 3.179 3.816 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.292 5.414 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.330 5.985 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.312 7.098 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.956 5.917 4.230 1.00 0.00 H new ATOM 1128 N ARG A 83 2.198 4.585 7.674 1.00 0.00 N ATOM 1129 CA ARG A 83 2.661 4.690 9.055 1.00 0.00 C ATOM 1130 C ARG A 83 3.465 3.448 9.416 1.00 0.00 C ATOM 1131 O ARG A 83 4.582 3.535 9.937 1.00 0.00 O ATOM 1132 CB ARG A 83 1.473 4.845 10.008 1.00 0.00 C ATOM 1133 CG ARG A 83 1.881 5.053 11.459 1.00 0.00 C ATOM 1134 CD ARG A 83 1.372 6.380 12.006 1.00 0.00 C ATOM 1135 NE ARG A 83 2.464 7.309 12.291 1.00 0.00 N ATOM 1136 CZ ARG A 83 3.069 8.049 11.366 1.00 0.00 C ATOM 1137 NH1 ARG A 83 2.696 7.971 10.094 1.00 0.00 N ATOM 1138 NH2 ARG A 83 4.052 8.869 11.712 1.00 0.00 N ATOM 0 H ARG A 83 1.203 4.770 7.544 1.00 0.00 H new ATOM 0 HA ARG A 83 3.295 5.572 9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.866 5.691 9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.844 3.957 9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.491 4.236 12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.968 5.020 11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.690 6.832 11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.801 6.202 12.917 1.00 0.00 H new ATOM 0 HE ARG A 83 2.781 7.395 13.257 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.942 7.341 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.164 8.541 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.344 8.932 12.687 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.516 9.437 11.003 1.00 0.00 H new ATOM 1152 N GLN A 84 2.900 2.286 9.096 1.00 0.00 N ATOM 1153 CA GLN A 84 3.571 1.025 9.348 1.00 0.00 C ATOM 1154 C GLN A 84 4.891 1.004 8.590 1.00 0.00 C ATOM 1155 O GLN A 84 5.930 0.644 9.142 1.00 0.00 O ATOM 1156 CB GLN A 84 2.688 -0.149 8.925 1.00 0.00 C ATOM 1157 CG GLN A 84 1.570 -0.446 9.904 1.00 0.00 C ATOM 1158 CD GLN A 84 0.579 -1.460 9.370 1.00 0.00 C ATOM 1159 OE1 GLN A 84 -0.661 -1.027 9.172 1.00 0.00 O flip ATOM 1160 NE2 GLN A 84 0.924 -2.619 9.139 1.00 0.00 N flip ATOM 0 H GLN A 84 1.981 2.197 8.663 1.00 0.00 H new ATOM 0 HA GLN A 84 3.766 0.926 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.257 0.064 7.947 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.308 -1.038 8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.997 -0.817 10.835 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.045 0.479 10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.888 -2.907 9.306 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.246 -3.291 8.780 1.00 0.00 H new ATOM 1167 N LEU A 85 4.849 1.439 7.326 1.00 0.00 N ATOM 1168 CA LEU A 85 6.055 1.511 6.506 1.00 0.00 C ATOM 1169 C LEU A 85 7.132 2.257 7.280 1.00 0.00 C ATOM 1170 O LEU A 85 8.274 1.803 7.393 1.00 0.00 O ATOM 1171 CB LEU A 85 5.766 2.234 5.184 1.00 0.00 C ATOM 1172 CG LEU A 85 5.773 1.352 3.932 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.719 1.832 2.943 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.155 1.348 3.286 1.00 0.00 C ATOM 0 H LEU A 85 3.997 1.744 6.854 1.00 0.00 H new ATOM 0 HA LEU A 85 6.394 0.501 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.792 2.718 5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.505 3.025 5.054 1.00 0.00 H new ATOM 0 HG LEU A 85 5.532 0.330 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.735 1.196 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.734 1.782 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.933 2.861 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.140 0.716 2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.427 2.365 3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.887 0.960 3.995 1.00 0.00 H new ATOM 1180 N ASN A 86 6.738 3.400 7.843 1.00 0.00 N ATOM 1181 CA ASN A 86 7.645 4.206 8.642 1.00 0.00 C ATOM 1182 C ASN A 86 8.128 3.391 9.831 1.00 0.00 C ATOM 1183 O ASN A 86 9.302 3.443 10.196 1.00 0.00 O ATOM 1184 CB ASN A 86 6.951 5.487 9.115 1.00 0.00 C ATOM 1185 CG ASN A 86 7.937 6.589 9.448 1.00 0.00 C ATOM 1186 OD1 ASN A 86 9.141 6.444 9.240 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.429 7.701 9.967 1.00 0.00 N ATOM 0 H ASN A 86 5.797 3.783 7.757 1.00 0.00 H new ATOM 0 HA ASN A 86 8.502 4.493 8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.269 5.835 8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.347 5.266 9.995 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.044 8.478 10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.424 7.778 10.123 1.00 0.00 H new ATOM 1192 N LYS A 87 7.221 2.607 10.411 1.00 0.00 N ATOM 1193 CA LYS A 87 7.573 1.750 11.537 1.00 0.00 C ATOM 1194 C LYS A 87 8.635 0.753 11.105 1.00 0.00 C ATOM 1195 O LYS A 87 9.647 0.578 11.780 1.00 0.00 O ATOM 1196 CB LYS A 87 6.346 0.994 12.046 1.00 0.00 C ATOM 1197 CG LYS A 87 6.041 1.245 13.514 1.00 0.00 C ATOM 1198 CD LYS A 87 4.947 0.320 14.022 1.00 0.00 C ATOM 1199 CE LYS A 87 4.672 0.542 15.500 1.00 0.00 C ATOM 1200 NZ LYS A 87 3.803 -0.525 16.070 1.00 0.00 N ATOM 0 H LYS A 87 6.245 2.549 10.121 1.00 0.00 H new ATOM 0 HA LYS A 87 7.957 2.377 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.480 1.281 11.450 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.499 -0.074 11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.945 1.099 14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.735 2.282 13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.033 0.488 13.452 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.240 -0.717 13.857 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.616 0.571 16.044 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.194 1.512 15.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.639 -0.337 17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.892 -0.536 15.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.270 -1.448 15.961 1.00 0.00 H new ATOM 1214 N LEU A 88 8.401 0.108 9.965 1.00 0.00 N ATOM 1215 CA LEU A 88 9.351 -0.859 9.441 1.00 0.00 C ATOM 1216 C LEU A 88 10.696 -0.185 9.239 1.00 0.00 C ATOM 1217 O LEU A 88 11.716 -0.618 9.774 1.00 0.00 O ATOM 1218 CB LEU A 88 8.872 -1.441 8.110 1.00 0.00 C ATOM 1219 CG LEU A 88 7.410 -1.883 8.065 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.128 -2.635 6.776 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.077 -2.745 9.269 1.00 0.00 C ATOM 0 H LEU A 88 7.567 0.239 9.393 1.00 0.00 H new ATOM 0 HA LEU A 88 9.441 -1.674 10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.031 -0.695 7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.499 -2.298 7.863 1.00 0.00 H new ATOM 0 HG LEU A 88 6.777 -0.996 8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.083 -2.944 6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.330 -1.986 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.768 -3.515 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.032 -3.050 9.220 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.714 -3.630 9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.246 -2.175 10.183 1.00 0.00 H new ATOM 1227 N GLN A 89 10.675 0.901 8.475 1.00 0.00 N ATOM 1228 CA GLN A 89 11.885 1.673 8.210 1.00 0.00 C ATOM 1229 C GLN A 89 12.524 2.100 9.528 1.00 0.00 C ATOM 1230 O GLN A 89 13.741 2.257 9.625 1.00 0.00 O ATOM 1231 CB GLN A 89 11.566 2.909 7.361 1.00 0.00 C ATOM 1232 CG GLN A 89 11.010 2.591 5.982 1.00 0.00 C ATOM 1233 CD GLN A 89 10.832 3.828 5.137 1.00 0.00 C ATOM 1234 OE1 GLN A 89 11.210 4.929 5.537 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.254 3.651 3.961 1.00 0.00 N ATOM 0 H GLN A 89 9.834 1.267 8.028 1.00 0.00 H new ATOM 0 HA GLN A 89 12.582 1.045 7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.846 3.528 7.897 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.474 3.502 7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.681 1.899 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.051 2.085 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.958 2.718 3.674 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.104 4.447 3.341 1.00 0.00 H new ATOM 1242 N HIS A 90 11.681 2.275 10.543 1.00 0.00 N ATOM 1243 CA HIS A 90 12.130 2.671 11.871 1.00 0.00 C ATOM 1244 C HIS A 90 12.711 1.479 12.616 1.00 0.00 C ATOM 1245 O HIS A 90 13.686 1.604 13.356 1.00 0.00 O ATOM 1246 CB HIS A 90 10.954 3.236 12.666 1.00 0.00 C ATOM 1247 CG HIS A 90 10.570 4.628 12.269 1.00 0.00 C ATOM 1248 ND1 HIS A 90 11.428 5.492 11.622 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.409 5.307 12.432 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.813 6.641 11.406 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.586 6.554 11.887 1.00 0.00 N ATOM 0 H HIS A 90 10.672 2.146 10.467 1.00 0.00 H new ATOM 0 HA HIS A 90 12.903 3.432 11.762 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.092 2.581 12.538 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.206 3.227 13.726 1.00 0.00 H new ATOM 0 HD1 HIS A 90 12.388 5.277 11.352 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.511 4.936 12.903 1.00 0.00 H new ATOM 0 HE1 HIS A 90 11.241 7.505 10.919 1.00 0.00 H new ATOM 1260 N LYS A 91 12.085 0.324 12.422 1.00 0.00 N ATOM 1261 CA LYS A 91 12.511 -0.902 13.078 1.00 0.00 C ATOM 1262 C LYS A 91 14.009 -1.139 12.897 1.00 0.00 C ATOM 1263 O LYS A 91 14.626 -0.602 11.977 1.00 0.00 O ATOM 1264 CB LYS A 91 11.724 -2.094 12.529 1.00 0.00 C ATOM 1265 CG LYS A 91 11.650 -3.274 13.486 1.00 0.00 C ATOM 1266 CD LYS A 91 10.801 -2.952 14.705 1.00 0.00 C ATOM 1267 CE LYS A 91 10.812 -4.096 15.707 1.00 0.00 C ATOM 1268 NZ LYS A 91 10.118 -5.303 15.180 1.00 0.00 N ATOM 0 H LYS A 91 11.276 0.213 11.811 1.00 0.00 H new ATOM 0 HA LYS A 91 12.312 -0.797 14.144 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.712 -1.769 12.288 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.183 -2.422 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.232 -4.138 12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.656 -3.549 13.804 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.175 -2.046 15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.776 -2.749 14.393 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.842 -4.350 15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.330 -3.774 16.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.058 -6.023 15.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.159 -5.045 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.651 -5.685 14.373 1.00 0.00 H new ATOM 1282 N SER A 92 14.587 -1.948 13.782 1.00 0.00 N ATOM 1283 CA SER A 92 16.011 -2.260 13.722 1.00 0.00 C ATOM 1284 C SER A 92 16.854 -1.025 14.019 1.00 0.00 C ATOM 1285 O SER A 92 16.360 0.102 13.977 1.00 0.00 O ATOM 1286 CB SER A 92 16.378 -2.824 12.347 1.00 0.00 C ATOM 1287 OG SER A 92 15.419 -3.773 11.913 1.00 0.00 O ATOM 0 H SER A 92 14.090 -2.399 14.550 1.00 0.00 H new ATOM 0 HA SER A 92 16.221 -3.012 14.482 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.444 -2.012 11.623 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.362 -3.291 12.393 1.00 0.00 H new ATOM 0 HG SER A 92 15.675 -4.117 11.032 1.00 0.00 H new ATOM 1293 N GLU A 93 18.130 -1.244 14.320 1.00 0.00 N ATOM 1294 CA GLU A 93 19.044 -0.150 14.624 1.00 0.00 C ATOM 1295 C GLU A 93 19.730 0.355 13.359 1.00 0.00 C ATOM 1296 O GLU A 93 19.826 1.561 13.133 1.00 0.00 O ATOM 1297 CB GLU A 93 20.093 -0.603 15.642 1.00 0.00 C ATOM 1298 CG GLU A 93 19.525 -0.857 17.029 1.00 0.00 C ATOM 1299 CD GLU A 93 20.366 -1.830 17.833 1.00 0.00 C ATOM 1300 OE1 GLU A 93 20.150 -3.053 17.698 1.00 0.00 O ATOM 1301 OE2 GLU A 93 21.239 -1.369 18.598 1.00 0.00 O ATOM 0 H GLU A 93 18.554 -2.171 14.360 1.00 0.00 H new ATOM 0 HA GLU A 93 18.463 0.668 15.050 1.00 0.00 H new ATOM 0 HB2 GLU A 93 20.568 -1.515 15.280 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.872 0.156 15.711 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.454 0.088 17.568 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.512 -1.248 16.937 1.00 0.00 H new ATOM 1308 N SER A 94 20.206 -0.576 12.538 1.00 0.00 N ATOM 1309 CA SER A 94 20.883 -0.225 11.295 1.00 0.00 C ATOM 1310 C SER A 94 19.901 0.368 10.290 1.00 0.00 C ATOM 1311 O SER A 94 19.149 -0.358 9.640 1.00 0.00 O ATOM 1312 CB SER A 94 21.564 -1.456 10.696 1.00 0.00 C ATOM 1313 OG SER A 94 22.044 -2.320 11.713 1.00 0.00 O ATOM 0 H SER A 94 20.135 -1.579 12.711 1.00 0.00 H new ATOM 0 HA SER A 94 21.640 0.526 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 94 20.859 -1.993 10.062 1.00 0.00 H new ATOM 0 HB3 SER A 94 22.392 -1.144 10.059 1.00 0.00 H new ATOM 0 HG SER A 94 22.473 -3.100 11.304 1.00 0.00 H new ATOM 1319 N ARG A 95 19.914 1.691 10.167 1.00 0.00 N ATOM 1320 CA ARG A 95 19.024 2.382 9.241 1.00 0.00 C ATOM 1321 C ARG A 95 19.823 3.124 8.172 1.00 0.00 C ATOM 1322 O ARG A 95 19.442 4.211 7.740 1.00 0.00 O ATOM 1323 CB ARG A 95 18.125 3.360 10.002 1.00 0.00 C ATOM 1324 CG ARG A 95 16.640 3.094 9.809 1.00 0.00 C ATOM 1325 CD ARG A 95 15.906 4.329 9.306 1.00 0.00 C ATOM 1326 NE ARG A 95 15.721 5.325 10.360 1.00 0.00 N ATOM 1327 CZ ARG A 95 16.472 6.418 10.499 1.00 0.00 C ATOM 1328 NH1 ARG A 95 17.467 6.669 9.655 1.00 0.00 N ATOM 1329 NH2 ARG A 95 16.225 7.266 11.488 1.00 0.00 N ATOM 0 H ARG A 95 20.531 2.306 10.697 1.00 0.00 H new ATOM 0 HA ARG A 95 18.399 1.638 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 95 18.361 3.306 11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 95 18.349 4.376 9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.506 2.277 9.100 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.203 2.771 10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 95 16.466 4.773 8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.934 4.036 8.910 1.00 0.00 H new ATOM 0 HE ARG A 95 14.969 5.174 11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.663 6.022 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.035 7.508 9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.462 7.081 12.140 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.798 8.103 11.597 1.00 0.00 H new ATOM 1343 N ARG A 96 20.932 2.527 7.750 1.00 0.00 N ATOM 1344 CA ARG A 96 21.785 3.130 6.731 1.00 0.00 C ATOM 1345 C ARG A 96 22.039 2.153 5.586 1.00 0.00 C ATOM 1346 O ARG A 96 21.740 0.964 5.693 1.00 0.00 O ATOM 1347 CB ARG A 96 23.115 3.572 7.343 1.00 0.00 C ATOM 1348 CG ARG A 96 22.960 4.363 8.632 1.00 0.00 C ATOM 1349 CD ARG A 96 24.117 5.326 8.837 1.00 0.00 C ATOM 1350 NE ARG A 96 25.144 4.768 9.714 1.00 0.00 N ATOM 1351 CZ ARG A 96 25.051 4.740 11.042 1.00 0.00 C ATOM 1352 NH1 ARG A 96 23.980 5.236 11.650 1.00 0.00 N ATOM 1353 NH2 ARG A 96 26.031 4.214 11.764 1.00 0.00 N ATOM 0 H ARG A 96 21.262 1.626 8.097 1.00 0.00 H new ATOM 0 HA ARG A 96 21.269 4.004 6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 96 23.726 2.691 7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 96 23.655 4.179 6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 96 22.023 4.919 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 96 22.903 3.677 9.477 1.00 0.00 H new ATOM 0 HD2 ARG A 96 24.559 5.572 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 96 23.743 6.257 9.263 1.00 0.00 H new ATOM 0 HE ARG A 96 25.982 4.377 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 96 23.223 5.641 11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 96 23.914 5.212 12.668 1.00 0.00 H new ATOM 0 HH21 ARG A 96 26.856 3.831 11.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 25.960 4.192 12.781 1.00 0.00 H new ATOM 1367 N ALA A 97 22.594 2.665 4.491 1.00 0.00 N ATOM 1368 CA ALA A 97 22.888 1.839 3.327 1.00 0.00 C ATOM 1369 C ALA A 97 21.619 1.214 2.761 1.00 0.00 C ATOM 1370 O ALA A 97 21.022 0.331 3.377 1.00 0.00 O ATOM 1371 CB ALA A 97 23.896 0.758 3.689 1.00 0.00 C ATOM 0 H ALA A 97 22.848 3.647 4.387 1.00 0.00 H new ATOM 0 HA ALA A 97 23.319 2.480 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.107 0.148 2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.818 1.223 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.486 0.128 4.478 1.00 0.00 H new ATOM 1377 N ASP A 98 21.211 1.676 1.583 1.00 0.00 N ATOM 1378 CA ASP A 98 20.012 1.162 0.934 1.00 0.00 C ATOM 1379 C ASP A 98 20.113 1.297 -0.582 1.00 0.00 C ATOM 1380 O ASP A 98 19.893 2.374 -1.136 1.00 0.00 O ATOM 1381 CB ASP A 98 18.773 1.901 1.441 1.00 0.00 C ATOM 1382 CG ASP A 98 18.855 3.397 1.203 1.00 0.00 C ATOM 1383 OD1 ASP A 98 19.741 4.045 1.799 1.00 0.00 O ATOM 1384 OD2 ASP A 98 18.034 3.919 0.420 1.00 0.00 O ATOM 0 H ASP A 98 21.694 2.406 1.059 1.00 0.00 H new ATOM 0 HA ASP A 98 19.922 0.104 1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 98 17.888 1.505 0.944 1.00 0.00 H new ATOM 0 HB3 ASP A 98 18.651 1.712 2.507 1.00 0.00 H new ATOM 1389 N GLU A 99 20.448 0.197 -1.249 1.00 0.00 N ATOM 1390 CA GLU A 99 20.578 0.192 -2.701 1.00 0.00 C ATOM 1391 C GLU A 99 21.651 1.177 -3.154 1.00 0.00 C ATOM 1392 O GLU A 99 21.463 2.392 -3.085 1.00 0.00 O ATOM 1393 CB GLU A 99 19.240 0.541 -3.356 1.00 0.00 C ATOM 1394 CG GLU A 99 18.262 -0.622 -3.396 1.00 0.00 C ATOM 1395 CD GLU A 99 17.438 -0.646 -4.670 1.00 0.00 C ATOM 1396 OE1 GLU A 99 16.504 0.173 -4.788 1.00 0.00 O ATOM 1397 OE2 GLU A 99 17.729 -1.486 -5.548 1.00 0.00 O ATOM 0 H GLU A 99 20.634 -0.703 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 99 20.875 -0.810 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 99 18.785 1.370 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 99 19.422 0.887 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 99 18.812 -1.558 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 99 17.594 -0.561 -2.537 1.00 0.00 H new ATOM 1404 N ARG A 100 22.777 0.644 -3.619 1.00 0.00 N ATOM 1405 CA ARG A 100 23.881 1.476 -4.085 1.00 0.00 C ATOM 1406 C ARG A 100 23.715 1.825 -5.560 1.00 0.00 C ATOM 1407 O ARG A 100 22.931 1.196 -6.272 1.00 0.00 O ATOM 1408 CB ARG A 100 25.215 0.760 -3.865 1.00 0.00 C ATOM 1409 CG ARG A 100 25.229 -0.671 -4.378 1.00 0.00 C ATOM 1410 CD ARG A 100 26.588 -1.048 -4.945 1.00 0.00 C ATOM 1411 NE ARG A 100 27.359 -1.875 -4.018 1.00 0.00 N ATOM 1412 CZ ARG A 100 28.092 -1.386 -3.020 1.00 0.00 C ATOM 1413 NH1 ARG A 100 28.158 -0.076 -2.813 1.00 0.00 N ATOM 1414 NH2 ARG A 100 28.761 -2.211 -2.226 1.00 0.00 N ATOM 0 H ARG A 100 22.949 -0.359 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 100 23.874 2.401 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 100 26.006 1.323 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 100 25.445 0.758 -2.800 1.00 0.00 H new ATOM 0 HG2 ARG A 100 24.971 -1.352 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 100 24.467 -0.790 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 100 26.453 -1.586 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 100 27.149 -0.142 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 100 27.334 -2.887 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 100 27.645 0.563 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 100 28.722 0.291 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 100 28.713 -3.218 -2.381 1.00 0.00 H new ATOM 0 HH22 ARG A 100 29.323 -1.838 -1.461 1.00 0.00 H new ATOM 1428 N LEU A 101 24.456 2.831 -6.012 1.00 0.00 N ATOM 1429 CA LEU A 101 24.391 3.263 -7.404 1.00 0.00 C ATOM 1430 C LEU A 101 25.088 2.259 -8.318 1.00 0.00 C ATOM 1431 O LEU A 101 26.316 2.177 -8.342 1.00 0.00 O ATOM 1432 CB LEU A 101 25.028 4.647 -7.560 1.00 0.00 C ATOM 1433 CG LEU A 101 24.040 5.789 -7.805 1.00 0.00 C ATOM 1434 CD1 LEU A 101 23.371 5.635 -9.162 1.00 0.00 C ATOM 1435 CD2 LEU A 101 22.999 5.840 -6.697 1.00 0.00 C ATOM 0 H LEU A 101 25.108 3.362 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 101 23.342 3.321 -7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.602 4.870 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 101 25.735 4.614 -8.389 1.00 0.00 H new ATOM 0 HG LEU A 101 24.592 6.729 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 101 22.672 6.456 -9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 101 24.129 5.650 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 101 22.832 4.688 -9.197 1.00 0.00 H new ATOM 0 HD21 LEU A 101 22.305 6.658 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 101 22.451 4.898 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 101 23.494 6.000 -5.739 1.00 0.00 H new ATOM 1441 N LYS A 102 24.297 1.499 -9.067 1.00 0.00 N ATOM 1442 CA LYS A 102 24.838 0.502 -9.982 1.00 0.00 C ATOM 1443 C LYS A 102 23.888 0.265 -11.152 1.00 0.00 C ATOM 1444 O LYS A 102 22.708 0.609 -11.087 1.00 0.00 O ATOM 1445 CB LYS A 102 25.094 -0.813 -9.243 1.00 0.00 C ATOM 1446 CG LYS A 102 26.382 -1.504 -9.661 1.00 0.00 C ATOM 1447 CD LYS A 102 27.604 -0.702 -9.244 1.00 0.00 C ATOM 1448 CE LYS A 102 28.774 -1.610 -8.899 1.00 0.00 C ATOM 1449 NZ LYS A 102 28.906 -1.813 -7.429 1.00 0.00 N ATOM 0 H LYS A 102 23.279 1.555 -9.058 1.00 0.00 H new ATOM 0 HA LYS A 102 25.782 0.880 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 102 25.127 -0.617 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 102 24.256 -1.488 -9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 102 26.426 -2.496 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 102 26.388 -1.642 -10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 102 27.891 -0.028 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 102 27.357 -0.082 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 102 28.641 -2.575 -9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 102 29.696 -1.179 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 29.789 -2.323 -7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 28.922 -0.889 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 28.098 -2.368 -7.081 1.00 0.00 H new ATOM 1463 N ASP A 103 24.412 -0.324 -12.222 1.00 0.00 N ATOM 1464 CA ASP A 103 23.610 -0.606 -13.408 1.00 0.00 C ATOM 1465 C ASP A 103 23.108 -2.047 -13.395 1.00 0.00 C ATOM 1466 O ASP A 103 23.299 -2.773 -12.420 1.00 0.00 O ATOM 1467 CB ASP A 103 24.429 -0.348 -14.675 1.00 0.00 C ATOM 1468 CG ASP A 103 24.118 0.998 -15.300 1.00 0.00 C ATOM 1469 OD1 ASP A 103 22.945 1.227 -15.664 1.00 0.00 O ATOM 1470 OD2 ASP A 103 25.047 1.823 -15.426 1.00 0.00 O ATOM 0 H ASP A 103 25.387 -0.615 -12.293 1.00 0.00 H new ATOM 0 HA ASP A 103 22.747 0.059 -13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 103 25.491 -0.397 -14.434 1.00 0.00 H new ATOM 0 HB3 ASP A 103 24.230 -1.137 -15.400 1.00 0.00 H new ATOM 1475 N SER A 104 22.466 -2.453 -14.486 1.00 0.00 N ATOM 1476 CA SER A 104 21.936 -3.806 -14.602 1.00 0.00 C ATOM 1477 C SER A 104 22.076 -4.325 -16.029 1.00 0.00 C ATOM 1478 O SER A 104 22.420 -3.574 -16.942 1.00 0.00 O ATOM 1479 CB SER A 104 20.468 -3.841 -14.175 1.00 0.00 C ATOM 1480 OG SER A 104 19.730 -2.806 -14.804 1.00 0.00 O ATOM 0 H SER A 104 22.301 -1.864 -15.302 1.00 0.00 H new ATOM 0 HA SER A 104 22.514 -4.453 -13.941 1.00 0.00 H new ATOM 0 HB2 SER A 104 20.035 -4.808 -14.430 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.398 -3.736 -13.092 1.00 0.00 H new ATOM 0 HG SER A 104 18.794 -2.850 -14.516 1.00 0.00 H new ATOM 1486 N PHE A 105 21.805 -5.613 -16.216 1.00 0.00 N ATOM 1487 CA PHE A 105 21.901 -6.231 -17.533 1.00 0.00 C ATOM 1488 C PHE A 105 20.611 -6.031 -18.323 1.00 0.00 C ATOM 1489 O PHE A 105 19.554 -5.766 -17.748 1.00 0.00 O ATOM 1490 CB PHE A 105 22.205 -7.725 -17.397 1.00 0.00 C ATOM 1491 CG PHE A 105 23.645 -8.069 -17.656 1.00 0.00 C ATOM 1492 CD1 PHE A 105 24.084 -8.346 -18.941 1.00 0.00 C ATOM 1493 CD2 PHE A 105 24.559 -8.115 -16.615 1.00 0.00 C ATOM 1494 CE1 PHE A 105 25.407 -8.663 -19.183 1.00 0.00 C ATOM 1495 CE2 PHE A 105 25.883 -8.431 -16.851 1.00 0.00 C ATOM 1496 CZ PHE A 105 26.308 -8.706 -18.137 1.00 0.00 C ATOM 0 H PHE A 105 21.517 -6.249 -15.472 1.00 0.00 H new ATOM 0 HA PHE A 105 22.715 -5.750 -18.075 1.00 0.00 H new ATOM 0 HB2 PHE A 105 21.936 -8.053 -16.393 1.00 0.00 H new ATOM 0 HB3 PHE A 105 21.576 -8.281 -18.093 1.00 0.00 H new ATOM 0 HD1 PHE A 105 23.384 -8.314 -19.763 1.00 0.00 H new ATOM 0 HD2 PHE A 105 24.232 -7.901 -15.608 1.00 0.00 H new ATOM 0 HE1 PHE A 105 25.736 -8.877 -20.189 1.00 0.00 H new ATOM 0 HE2 PHE A 105 26.585 -8.463 -16.031 1.00 0.00 H new ATOM 0 HZ PHE A 105 27.342 -8.954 -18.324 1.00 0.00 H new ATOM 1506 N GLU A 106 20.704 -6.160 -19.642 1.00 0.00 N ATOM 1507 CA GLU A 106 19.545 -5.994 -20.510 1.00 0.00 C ATOM 1508 C GLU A 106 19.545 -7.037 -21.623 1.00 0.00 C ATOM 1509 O GLU A 106 20.376 -6.992 -22.530 1.00 0.00 O ATOM 1510 CB GLU A 106 19.531 -4.589 -21.113 1.00 0.00 C ATOM 1511 CG GLU A 106 18.979 -3.529 -20.175 1.00 0.00 C ATOM 1512 CD GLU A 106 17.475 -3.624 -20.006 1.00 0.00 C ATOM 1513 OE1 GLU A 106 17.014 -4.546 -19.302 1.00 0.00 O ATOM 1514 OE2 GLU A 106 16.758 -2.778 -20.582 1.00 0.00 O ATOM 0 H GLU A 106 21.571 -6.379 -20.133 1.00 0.00 H new ATOM 0 HA GLU A 106 18.648 -6.132 -19.907 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.547 -4.316 -21.399 1.00 0.00 H new ATOM 0 HB3 GLU A 106 18.935 -4.600 -22.026 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.457 -3.627 -19.200 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.236 -2.541 -20.558 1.00 0.00 H new ATOM 1521 N ASN A 107 18.607 -7.976 -21.548 1.00 0.00 N ATOM 1522 CA ASN A 107 18.500 -9.031 -22.549 1.00 0.00 C ATOM 1523 C ASN A 107 17.079 -9.116 -23.098 1.00 0.00 C ATOM 1524 O ASN A 107 16.882 -9.132 -24.311 1.00 99.99 O ATOM 1525 CB ASN A 107 18.908 -10.377 -21.948 1.00 0.00 C ATOM 1526 CG ASN A 107 19.145 -11.435 -23.006 1.00 0.00 C ATOM 1527 OD1 ASN A 107 18.211 -12.097 -23.460 1.00 0.00 O ATOM 1528 ND2 ASN A 107 20.400 -11.603 -23.406 1.00 0.00 N ATOM 0 H ASN A 107 17.910 -8.028 -20.805 1.00 0.00 H new ATOM 0 HA ASN A 107 19.175 -8.789 -23.370 1.00 0.00 H new ATOM 0 HB2 ASN A 107 19.815 -10.248 -21.358 1.00 0.00 H new ATOM 0 HB3 ASN A 107 18.129 -10.718 -21.266 1.00 0.00 H new ATOM 0 HD21 ASN A 107 20.620 -12.302 -24.116 1.00 0.00 H new ATOM 0 HD22 ASN A 107 21.144 -11.033 -23.004 1.00 0.00 H new TER 1533 ASN A 107