USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 728 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 13 ASN : amide:sc= 0.195 K(o=0.19,f=-1.9!) USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 5:sc= 1.15 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 134:sc= -1.59 (180deg=-4.18!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= -0.0396 (180deg=-0.0396) USER MOD Single : A 24 SER OG : rot 38:sc= 0.253 USER MOD Single : A 25 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.0428 (180deg=-0.329) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.082 X(o=0.082,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.702 K(o=-0.7,f=-5.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0621 USER MOD Single : A 56 ASN : amide:sc= -0.367 K(o=-0.37,f=-5.4!) USER MOD Single : A 57 TYR OH : rot 30:sc= -0.757 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= 1.25 (180deg=0.615) USER MOD Single : A 65 MET CE :methyl -135:sc= -0.286 (180deg=-3.56!) USER MOD Single : A 66 ASN : amide:sc= -0.416 K(o=-0.42,f=-11!) USER MOD Single : A 67 LYS NZ :NH3+ -141:sc= 1.12 (180deg=-0.443!) USER MOD Single : A 70 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-5.4!) USER MOD Single : A 72 SER OG : rot 76:sc= 0.927 USER MOD Single : A 75 SER OG : rot 92:sc= 1.25 USER MOD Single : A 76 ASN : amide:sc= -0.0112 K(o=-0.011,f=-1) USER MOD Single : A 80 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.4) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.397 (180deg=-0.626) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 96 LYS NZ :NH3+ 170:sc= -0.0181 (180deg=-0.151) USER MOD Single : A 97 GLN : amide:sc= -2.25 K(o=-2.2,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.008 -0.291 3.116 1.00 0.00 N ATOM 21 CA PHE A 2 -9.238 -1.058 2.937 1.00 0.00 C ATOM 22 C PHE A 2 -10.459 -0.145 2.953 1.00 0.00 C ATOM 23 O PHE A 2 -10.512 0.817 3.720 1.00 0.00 O ATOM 24 CB PHE A 2 -9.380 -2.108 4.045 1.00 0.00 C ATOM 25 CG PHE A 2 -8.213 -3.047 4.157 1.00 0.00 C ATOM 26 CD1 PHE A 2 -8.078 -4.114 3.284 1.00 0.00 C ATOM 27 CD2 PHE A 2 -7.255 -2.866 5.142 1.00 0.00 C ATOM 28 CE1 PHE A 2 -7.008 -4.983 3.390 1.00 0.00 C ATOM 29 CE2 PHE A 2 -6.182 -3.730 5.253 1.00 0.00 C ATOM 30 CZ PHE A 2 -6.059 -4.790 4.376 1.00 0.00 C ATOM 0 HA PHE A 2 -9.180 -1.555 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.514 -1.598 4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -10.284 -2.690 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.817 -4.269 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.348 -2.040 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.914 -5.811 2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.441 -3.577 6.024 1.00 0.00 H new ATOM 0 HZ PHE A 2 -5.222 -5.467 4.461 1.00 0.00 H new ATOM 40 N THR A 3 -11.444 -0.455 2.115 1.00 0.00 N ATOM 41 CA THR A 3 -12.683 0.308 2.084 1.00 0.00 C ATOM 42 C THR A 3 -13.901 -0.609 2.168 1.00 0.00 C ATOM 43 O THR A 3 -13.901 -1.710 1.618 1.00 0.00 O ATOM 44 CB THR A 3 -12.793 1.186 0.813 1.00 0.00 C ATOM 45 OG1 THR A 3 -12.538 0.409 -0.366 1.00 0.00 O ATOM 46 CG2 THR A 3 -11.827 2.358 0.871 1.00 0.00 C ATOM 0 H THR A 3 -11.406 -1.228 1.451 1.00 0.00 H new ATOM 0 HA THR A 3 -12.663 0.962 2.956 1.00 0.00 H new ATOM 0 HB THR A 3 -13.811 1.574 0.770 1.00 0.00 H new ATOM 0 HG1 THR A 3 -12.425 -0.533 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.927 2.957 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.055 2.975 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.806 1.984 0.948 1.00 0.00 H new ATOM 54 N ALA A 4 -14.926 -0.160 2.874 1.00 0.00 N ATOM 55 CA ALA A 4 -16.181 -0.890 2.967 1.00 0.00 C ATOM 56 C ALA A 4 -17.307 -0.050 2.392 1.00 0.00 C ATOM 57 O ALA A 4 -17.338 1.164 2.583 1.00 0.00 O ATOM 58 CB ALA A 4 -16.477 -1.263 4.409 1.00 0.00 C ATOM 0 H ALA A 4 -14.913 0.716 3.396 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.097 -1.811 2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -17.420 -1.808 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -15.674 -1.891 4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -16.550 -0.358 5.011 1.00 0.00 H new ATOM 64 N LYS A 5 -18.224 -0.685 1.681 1.00 0.00 N ATOM 65 CA LYS A 5 -19.287 0.040 1.010 1.00 0.00 C ATOM 66 C LYS A 5 -20.660 -0.434 1.470 1.00 0.00 C ATOM 67 O LYS A 5 -20.987 -1.619 1.384 1.00 0.00 O ATOM 68 CB LYS A 5 -19.139 -0.116 -0.503 1.00 0.00 C ATOM 69 CG LYS A 5 -20.209 0.593 -1.315 1.00 0.00 C ATOM 70 CD LYS A 5 -19.901 0.535 -2.803 1.00 0.00 C ATOM 71 CE LYS A 5 -19.655 -0.892 -3.263 1.00 0.00 C ATOM 72 NZ LYS A 5 -19.413 -0.975 -4.726 1.00 0.00 N ATOM 0 H LYS A 5 -18.253 -1.697 1.555 1.00 0.00 H new ATOM 0 HA LYS A 5 -19.204 1.095 1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -18.162 0.265 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.157 -1.178 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -21.178 0.133 -1.124 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -20.281 1.633 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -20.732 0.962 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -19.024 1.145 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.796 -1.301 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -20.515 -1.509 -3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.250 -1.966 -4.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -20.242 -0.609 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -18.577 -0.408 -4.972 1.00 0.00 H new ATOM 86 N LEU A 6 -21.447 0.506 1.965 1.00 0.00 N ATOM 87 CA LEU A 6 -22.812 0.232 2.389 1.00 0.00 C ATOM 88 C LEU A 6 -23.692 0.044 1.156 1.00 0.00 C ATOM 89 O LEU A 6 -23.722 0.900 0.271 1.00 0.00 O ATOM 90 CB LEU A 6 -23.312 1.394 3.271 1.00 0.00 C ATOM 91 CG LEU A 6 -24.681 1.228 3.951 1.00 0.00 C ATOM 92 CD1 LEU A 6 -25.818 1.510 2.983 1.00 0.00 C ATOM 93 CD2 LEU A 6 -24.822 -0.165 4.547 1.00 0.00 C ATOM 0 H LEU A 6 -21.160 1.478 2.085 1.00 0.00 H new ATOM 0 HA LEU A 6 -22.854 -0.684 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -22.569 1.570 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -23.349 2.293 2.655 1.00 0.00 H new ATOM 0 HG LEU A 6 -24.739 1.958 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -26.772 1.384 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -25.737 2.532 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -25.762 0.816 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -25.798 -0.260 5.023 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -24.730 -0.910 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -24.040 -0.324 5.289 1.00 0.00 H new ATOM 105 N ILE A 7 -24.386 -1.084 1.084 1.00 0.00 N ATOM 106 CA ILE A 7 -25.222 -1.375 -0.073 1.00 0.00 C ATOM 107 C ILE A 7 -26.704 -1.364 0.288 1.00 0.00 C ATOM 108 O ILE A 7 -27.566 -1.308 -0.592 1.00 0.00 O ATOM 109 CB ILE A 7 -24.873 -2.742 -0.704 1.00 0.00 C ATOM 110 CG1 ILE A 7 -25.157 -3.879 0.283 1.00 0.00 C ATOM 111 CG2 ILE A 7 -23.415 -2.758 -1.144 1.00 0.00 C ATOM 112 CD1 ILE A 7 -25.116 -5.257 -0.342 1.00 0.00 C ATOM 0 H ILE A 7 -24.387 -1.806 1.805 1.00 0.00 H new ATOM 0 HA ILE A 7 -25.022 -0.586 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.501 -2.894 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.428 -3.836 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -26.139 -3.722 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -23.179 -3.726 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -23.248 -1.971 -1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -22.772 -2.588 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -25.327 -6.008 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -25.865 -5.321 -1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.127 -5.436 -0.764 1.00 0.00 H new ATOM 124 N LYS A 8 -27.002 -1.411 1.578 1.00 0.00 N ATOM 125 CA LYS A 8 -28.382 -1.480 2.037 1.00 0.00 C ATOM 126 C LYS A 8 -28.582 -0.624 3.282 1.00 0.00 C ATOM 127 O LYS A 8 -28.013 -0.908 4.337 1.00 0.00 O ATOM 128 CB LYS A 8 -28.754 -2.927 2.352 1.00 0.00 C ATOM 129 CG LYS A 8 -30.223 -3.138 2.664 1.00 0.00 C ATOM 130 CD LYS A 8 -30.482 -4.563 3.119 1.00 0.00 C ATOM 131 CE LYS A 8 -31.914 -4.757 3.579 1.00 0.00 C ATOM 132 NZ LYS A 8 -32.120 -6.106 4.162 1.00 0.00 N ATOM 0 H LYS A 8 -26.308 -1.403 2.325 1.00 0.00 H new ATOM 0 HA LYS A 8 -29.025 -1.100 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -28.481 -3.554 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -28.161 -3.266 3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -30.537 -2.441 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -30.822 -2.920 1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -30.267 -5.250 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -29.802 -4.814 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -32.166 -3.997 4.319 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -32.590 -4.617 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -33.110 -6.205 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -31.903 -6.830 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -31.492 -6.230 4.982 1.00 0.00 H new ATOM 146 N GLY A 9 -29.368 0.433 3.153 1.00 0.00 N ATOM 147 CA GLY A 9 -29.704 1.242 4.306 1.00 0.00 C ATOM 148 C GLY A 9 -29.522 2.725 4.068 1.00 0.00 C ATOM 149 O GLY A 9 -29.856 3.529 4.939 1.00 0.00 O ATOM 0 H GLY A 9 -29.779 0.745 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.740 1.050 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.084 0.937 5.149 1.00 0.00 H new ATOM 153 N LYS A 10 -28.975 3.087 2.899 1.00 0.00 N ATOM 154 CA LYS A 10 -28.752 4.487 2.518 1.00 0.00 C ATOM 155 C LYS A 10 -27.581 5.081 3.298 1.00 0.00 C ATOM 156 O LYS A 10 -26.639 5.608 2.709 1.00 0.00 O ATOM 157 CB LYS A 10 -30.019 5.330 2.733 1.00 0.00 C ATOM 158 CG LYS A 10 -29.894 6.769 2.256 1.00 0.00 C ATOM 159 CD LYS A 10 -31.077 7.629 2.691 1.00 0.00 C ATOM 160 CE LYS A 10 -32.379 7.253 1.988 1.00 0.00 C ATOM 161 NZ LYS A 10 -32.937 5.955 2.459 1.00 0.00 N ATOM 0 H LYS A 10 -28.675 2.416 2.191 1.00 0.00 H new ATOM 0 HA LYS A 10 -28.507 4.506 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -30.851 4.856 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -30.267 5.330 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.972 7.200 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.818 6.784 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -31.212 7.533 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -30.851 8.676 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -33.115 8.040 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -32.204 7.199 0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -33.957 6.059 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -32.784 5.227 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -32.460 5.671 3.339 1.00 0.00 H new ATOM 175 N THR A 11 -27.645 4.979 4.616 1.00 0.00 N ATOM 176 CA THR A 11 -26.592 5.469 5.494 1.00 0.00 C ATOM 177 C THR A 11 -26.480 4.587 6.732 1.00 0.00 C ATOM 178 O THR A 11 -27.493 4.108 7.250 1.00 0.00 O ATOM 179 CB THR A 11 -26.853 6.927 5.925 1.00 0.00 C ATOM 180 OG1 THR A 11 -28.260 7.145 6.111 1.00 0.00 O ATOM 181 CG2 THR A 11 -26.310 7.909 4.900 1.00 0.00 C ATOM 0 H THR A 11 -28.430 4.553 5.109 1.00 0.00 H new ATOM 0 HA THR A 11 -25.656 5.435 4.936 1.00 0.00 H new ATOM 0 HB THR A 11 -26.334 7.095 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 11 -28.414 8.073 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.509 8.928 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 11 -25.235 7.766 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 11 -26.796 7.738 3.940 1.00 0.00 H new ATOM 189 N TYR A 12 -25.257 4.359 7.192 1.00 0.00 N ATOM 190 CA TYR A 12 -25.026 3.545 8.378 1.00 0.00 C ATOM 191 C TYR A 12 -23.727 3.970 9.055 1.00 0.00 C ATOM 192 O TYR A 12 -22.744 4.279 8.383 1.00 0.00 O ATOM 193 CB TYR A 12 -24.975 2.058 7.999 1.00 0.00 C ATOM 194 CG TYR A 12 -25.029 1.116 9.185 1.00 0.00 C ATOM 195 CD1 TYR A 12 -26.247 0.742 9.742 1.00 0.00 C ATOM 196 CD2 TYR A 12 -23.869 0.603 9.745 1.00 0.00 C ATOM 197 CE1 TYR A 12 -26.303 -0.117 10.824 1.00 0.00 C ATOM 198 CE2 TYR A 12 -23.916 -0.256 10.825 1.00 0.00 C ATOM 199 CZ TYR A 12 -25.133 -0.613 11.362 1.00 0.00 C ATOM 200 OH TYR A 12 -25.180 -1.468 12.443 1.00 0.00 O ATOM 0 H TYR A 12 -24.409 4.727 6.761 1.00 0.00 H new ATOM 0 HA TYR A 12 -25.849 3.694 9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -25.808 1.835 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -24.060 1.868 7.439 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -27.164 1.129 9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -22.912 0.880 9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -27.257 -0.398 11.246 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -23.002 -0.647 11.247 1.00 0.00 H new ATOM 0 HH TYR A 12 -24.269 -1.725 12.697 1.00 0.00 H new ATOM 210 N ASN A 13 -23.732 4.002 10.379 1.00 0.00 N ATOM 211 CA ASN A 13 -22.566 4.435 11.140 1.00 0.00 C ATOM 212 C ASN A 13 -21.894 3.252 11.827 1.00 0.00 C ATOM 213 O ASN A 13 -22.553 2.464 12.511 1.00 0.00 O ATOM 214 CB ASN A 13 -22.974 5.463 12.197 1.00 0.00 C ATOM 215 CG ASN A 13 -21.782 6.087 12.897 1.00 0.00 C ATOM 216 OD1 ASN A 13 -21.233 5.524 13.846 1.00 0.00 O ATOM 217 ND2 ASN A 13 -21.396 7.273 12.454 1.00 0.00 N ATOM 0 H ASN A 13 -24.532 3.733 10.952 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.861 4.887 10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.565 6.248 11.725 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.614 4.983 12.937 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.617 7.756 12.901 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.878 7.704 11.665 1.00 0.00 H new ATOM 224 N VAL A 14 -20.587 3.132 11.643 1.00 0.00 N ATOM 225 CA VAL A 14 -19.809 2.099 12.310 1.00 0.00 C ATOM 226 C VAL A 14 -18.626 2.718 13.047 1.00 0.00 C ATOM 227 O VAL A 14 -17.625 3.079 12.429 1.00 0.00 O ATOM 228 CB VAL A 14 -19.284 1.037 11.316 1.00 0.00 C ATOM 229 CG1 VAL A 14 -18.430 0.002 12.032 1.00 0.00 C ATOM 230 CG2 VAL A 14 -20.434 0.365 10.584 1.00 0.00 C ATOM 0 H VAL A 14 -20.041 3.741 11.034 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.475 1.607 13.019 1.00 0.00 H new ATOM 0 HB VAL A 14 -18.661 1.545 10.580 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.072 -0.735 11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.578 0.495 12.501 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -19.027 -0.497 12.796 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -20.039 -0.378 9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -21.089 -0.124 11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -21.000 1.114 10.030 1.00 0.00 H new ATOM 240 N MET A 15 -18.767 2.867 14.363 1.00 0.00 N ATOM 241 CA MET A 15 -17.695 3.385 15.218 1.00 0.00 C ATOM 242 C MET A 15 -17.209 4.755 14.746 1.00 0.00 C ATOM 243 O MET A 15 -16.034 5.099 14.893 1.00 0.00 O ATOM 244 CB MET A 15 -16.526 2.396 15.259 1.00 0.00 C ATOM 245 CG MET A 15 -16.904 1.033 15.816 1.00 0.00 C ATOM 246 SD MET A 15 -15.508 -0.105 15.872 1.00 0.00 S ATOM 247 CE MET A 15 -16.297 -1.566 16.546 1.00 0.00 C ATOM 0 H MET A 15 -19.623 2.634 14.867 1.00 0.00 H new ATOM 0 HA MET A 15 -18.101 3.504 16.223 1.00 0.00 H new ATOM 0 HB2 MET A 15 -16.131 2.271 14.251 1.00 0.00 H new ATOM 0 HB3 MET A 15 -15.725 2.818 15.865 1.00 0.00 H new ATOM 0 HG2 MET A 15 -17.309 1.155 16.821 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.695 0.601 15.203 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.562 -2.365 16.642 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.713 -1.335 17.527 1.00 0.00 H new ATOM 0 HE3 MET A 15 -17.097 -1.888 15.879 1.00 0.00 H new ATOM 257 N GLY A 16 -18.123 5.542 14.195 1.00 0.00 N ATOM 258 CA GLY A 16 -17.769 6.861 13.716 1.00 0.00 C ATOM 259 C GLY A 16 -17.693 6.923 12.204 1.00 0.00 C ATOM 260 O GLY A 16 -17.858 7.991 11.611 1.00 0.00 O ATOM 0 H GLY A 16 -19.103 5.289 14.072 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.504 7.583 14.070 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -16.807 7.152 14.138 1.00 0.00 H new ATOM 264 N ILE A 17 -17.445 5.782 11.580 1.00 0.00 N ATOM 265 CA ILE A 17 -17.356 5.710 10.129 1.00 0.00 C ATOM 266 C ILE A 17 -18.754 5.790 9.528 1.00 0.00 C ATOM 267 O ILE A 17 -19.603 4.943 9.804 1.00 0.00 O ATOM 268 CB ILE A 17 -16.673 4.404 9.663 1.00 0.00 C ATOM 269 CG1 ILE A 17 -15.375 4.157 10.442 1.00 0.00 C ATOM 270 CG2 ILE A 17 -16.389 4.458 8.170 1.00 0.00 C ATOM 271 CD1 ILE A 17 -14.344 5.256 10.291 1.00 0.00 C ATOM 0 H ILE A 17 -17.301 4.891 12.056 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.750 6.549 9.789 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.353 3.576 9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.615 4.041 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.938 3.215 10.109 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.908 3.531 7.857 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.325 4.582 7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.730 5.299 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -13.457 5.005 10.872 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.072 5.358 9.240 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -14.760 6.197 10.652 1.00 0.00 H new ATOM 283 N THR A 18 -18.999 6.816 8.727 1.00 0.00 N ATOM 284 CA THR A 18 -20.321 7.032 8.163 1.00 0.00 C ATOM 285 C THR A 18 -20.391 6.532 6.723 1.00 0.00 C ATOM 286 O THR A 18 -19.856 7.154 5.806 1.00 0.00 O ATOM 287 CB THR A 18 -20.703 8.522 8.215 1.00 0.00 C ATOM 288 OG1 THR A 18 -20.471 9.024 9.541 1.00 0.00 O ATOM 289 CG2 THR A 18 -22.165 8.723 7.837 1.00 0.00 C ATOM 0 H THR A 18 -18.302 7.509 8.454 1.00 0.00 H new ATOM 0 HA THR A 18 -21.031 6.465 8.765 1.00 0.00 H new ATOM 0 HB THR A 18 -20.088 9.066 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 18 -20.712 9.973 9.578 1.00 0.00 H new ATOM 0 HG21 THR A 18 -22.410 9.784 7.882 1.00 0.00 H new ATOM 0 HG22 THR A 18 -22.333 8.354 6.825 1.00 0.00 H new ATOM 0 HG23 THR A 18 -22.800 8.175 8.533 1.00 0.00 H new ATOM 297 N PHE A 19 -21.050 5.400 6.539 1.00 0.00 N ATOM 298 CA PHE A 19 -21.179 4.791 5.226 1.00 0.00 C ATOM 299 C PHE A 19 -22.455 5.249 4.535 1.00 0.00 C ATOM 300 O PHE A 19 -23.441 5.597 5.189 1.00 0.00 O ATOM 301 CB PHE A 19 -21.191 3.268 5.339 1.00 0.00 C ATOM 302 CG PHE A 19 -19.939 2.689 5.921 1.00 0.00 C ATOM 303 CD1 PHE A 19 -18.802 2.554 5.143 1.00 0.00 C ATOM 304 CD2 PHE A 19 -19.904 2.266 7.237 1.00 0.00 C ATOM 305 CE1 PHE A 19 -17.651 2.007 5.671 1.00 0.00 C ATOM 306 CE2 PHE A 19 -18.755 1.719 7.769 1.00 0.00 C ATOM 307 CZ PHE A 19 -17.628 1.589 6.985 1.00 0.00 C ATOM 0 H PHE A 19 -21.507 4.881 7.289 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.320 5.105 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -22.038 2.967 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -21.349 2.842 4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.816 2.880 4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.785 2.365 7.854 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.769 1.906 5.056 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -18.738 1.393 8.798 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.728 1.160 7.400 1.00 0.00 H new ATOM 317 N ARG A 20 -22.426 5.232 3.212 1.00 0.00 N ATOM 318 CA ARG A 20 -23.580 5.589 2.402 1.00 0.00 C ATOM 319 C ARG A 20 -23.768 4.552 1.305 1.00 0.00 C ATOM 320 O ARG A 20 -22.808 3.885 0.914 1.00 0.00 O ATOM 321 CB ARG A 20 -23.393 6.975 1.778 1.00 0.00 C ATOM 322 CG ARG A 20 -23.340 8.103 2.793 1.00 0.00 C ATOM 323 CD ARG A 20 -22.958 9.424 2.146 1.00 0.00 C ATOM 324 NE ARG A 20 -22.988 10.527 3.105 1.00 0.00 N ATOM 325 CZ ARG A 20 -21.936 10.925 3.819 1.00 0.00 C ATOM 326 NH1 ARG A 20 -20.756 10.336 3.653 1.00 0.00 N ATOM 327 NH2 ARG A 20 -22.058 11.923 4.687 1.00 0.00 N ATOM 0 H ARG A 20 -21.603 4.971 2.670 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.464 5.614 3.040 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.472 6.979 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.211 7.163 1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -24.311 8.203 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.619 7.858 3.572 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.960 9.343 1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.642 9.638 1.325 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.870 11.023 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.655 9.578 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -19.952 10.642 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -22.959 12.386 4.808 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.251 12.226 5.233 1.00 0.00 H new ATOM 341 N ALA A 21 -25.001 4.401 0.833 1.00 0.00 N ATOM 342 CA ALA A 21 -25.296 3.494 -0.270 1.00 0.00 C ATOM 343 C ALA A 21 -24.442 3.817 -1.495 1.00 0.00 C ATOM 344 O ALA A 21 -24.601 4.868 -2.121 1.00 0.00 O ATOM 345 CB ALA A 21 -26.775 3.557 -0.623 1.00 0.00 C ATOM 0 H ALA A 21 -25.814 4.897 1.198 1.00 0.00 H new ATOM 0 HA ALA A 21 -25.052 2.481 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -26.982 2.875 -1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -27.369 3.268 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -27.036 4.573 -0.918 1.00 0.00 H new ATOM 351 N GLY A 22 -23.518 2.918 -1.808 1.00 0.00 N ATOM 352 CA GLY A 22 -22.664 3.095 -2.969 1.00 0.00 C ATOM 353 C GLY A 22 -21.380 3.832 -2.642 1.00 0.00 C ATOM 354 O GLY A 22 -20.595 4.163 -3.536 1.00 0.00 O ATOM 0 H GLY A 22 -23.343 2.065 -1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.421 2.119 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.209 3.645 -3.736 1.00 0.00 H new ATOM 358 N VAL A 23 -21.157 4.087 -1.360 1.00 0.00 N ATOM 359 CA VAL A 23 -19.970 4.805 -0.921 1.00 0.00 C ATOM 360 C VAL A 23 -19.065 3.910 -0.082 1.00 0.00 C ATOM 361 O VAL A 23 -19.412 3.525 1.037 1.00 0.00 O ATOM 362 CB VAL A 23 -20.341 6.067 -0.113 1.00 0.00 C ATOM 363 CG1 VAL A 23 -19.092 6.777 0.386 1.00 0.00 C ATOM 364 CG2 VAL A 23 -21.191 7.008 -0.954 1.00 0.00 C ATOM 0 H VAL A 23 -21.784 3.807 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 23 -19.432 5.111 -1.819 1.00 0.00 H new ATOM 0 HB VAL A 23 -20.924 5.757 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.379 7.663 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.523 6.104 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.478 7.073 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -21.443 7.892 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.633 7.307 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -22.107 6.499 -1.256 1.00 0.00 H new ATOM 374 N SER A 24 -17.918 3.562 -0.646 1.00 0.00 N ATOM 375 CA SER A 24 -16.905 2.806 0.072 1.00 0.00 C ATOM 376 C SER A 24 -15.986 3.743 0.855 1.00 0.00 C ATOM 377 O SER A 24 -15.259 4.547 0.268 1.00 0.00 O ATOM 378 CB SER A 24 -16.090 1.969 -0.918 1.00 0.00 C ATOM 379 OG SER A 24 -15.610 2.770 -1.988 1.00 0.00 O ATOM 0 H SER A 24 -17.665 3.794 -1.607 1.00 0.00 H new ATOM 0 HA SER A 24 -17.399 2.143 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.250 1.505 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.708 1.162 -1.312 1.00 0.00 H new ATOM 0 HG SER A 24 -15.353 3.652 -1.647 1.00 0.00 H new ATOM 385 N GLN A 25 -16.020 3.649 2.176 1.00 0.00 N ATOM 386 CA GLN A 25 -15.149 4.468 3.006 1.00 0.00 C ATOM 387 C GLN A 25 -14.092 3.590 3.670 1.00 0.00 C ATOM 388 O GLN A 25 -14.269 2.376 3.778 1.00 0.00 O ATOM 389 CB GLN A 25 -15.953 5.235 4.061 1.00 0.00 C ATOM 390 CG GLN A 25 -15.343 6.586 4.405 1.00 0.00 C ATOM 391 CD GLN A 25 -16.042 7.283 5.556 1.00 0.00 C ATOM 392 OE1 GLN A 25 -15.650 7.137 6.712 1.00 0.00 O ATOM 393 NE2 GLN A 25 -17.078 8.046 5.250 1.00 0.00 N ATOM 0 H GLN A 25 -16.635 3.020 2.692 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.654 5.201 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -16.970 5.383 3.698 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -16.022 4.632 4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.291 6.449 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -15.379 7.228 3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -17.372 8.141 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.583 8.539 5.986 1.00 0.00 H new ATOM 402 N THR A 26 -12.998 4.205 4.098 1.00 0.00 N ATOM 403 CA THR A 26 -11.871 3.479 4.669 1.00 0.00 C ATOM 404 C THR A 26 -12.222 2.840 6.009 1.00 0.00 C ATOM 405 O THR A 26 -12.846 3.469 6.868 1.00 0.00 O ATOM 406 CB THR A 26 -10.662 4.414 4.851 1.00 0.00 C ATOM 407 OG1 THR A 26 -11.087 5.655 5.435 1.00 0.00 O ATOM 408 CG2 THR A 26 -9.983 4.684 3.520 1.00 0.00 C ATOM 0 H THR A 26 -12.866 5.216 4.060 1.00 0.00 H new ATOM 0 HA THR A 26 -11.618 2.683 3.968 1.00 0.00 H new ATOM 0 HB THR A 26 -9.948 3.925 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.313 6.245 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.132 5.347 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.638 3.744 3.090 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.692 5.155 2.839 1.00 0.00 H new ATOM 416 N VAL A 27 -11.819 1.585 6.183 1.00 0.00 N ATOM 417 CA VAL A 27 -12.076 0.864 7.422 1.00 0.00 C ATOM 418 C VAL A 27 -10.802 0.221 7.960 1.00 0.00 C ATOM 419 O VAL A 27 -9.943 -0.219 7.191 1.00 0.00 O ATOM 420 CB VAL A 27 -13.156 -0.231 7.250 1.00 0.00 C ATOM 421 CG1 VAL A 27 -14.489 0.387 6.870 1.00 0.00 C ATOM 422 CG2 VAL A 27 -12.734 -1.269 6.219 1.00 0.00 C ATOM 0 H VAL A 27 -11.313 1.047 5.480 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.443 1.604 8.133 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.269 -0.739 8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.235 -0.399 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.807 1.076 7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.384 0.929 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.514 -2.024 6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.578 -0.783 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.807 -1.745 6.540 1.00 0.00 H new ATOM 432 N PRO A 28 -10.656 0.192 9.292 1.00 0.00 N ATOM 433 CA PRO A 28 -9.546 -0.490 9.964 1.00 0.00 C ATOM 434 C PRO A 28 -9.600 -2.007 9.775 1.00 0.00 C ATOM 435 O PRO A 28 -10.617 -2.556 9.342 1.00 0.00 O ATOM 436 CB PRO A 28 -9.743 -0.137 11.445 1.00 0.00 C ATOM 437 CG PRO A 28 -10.657 1.039 11.447 1.00 0.00 C ATOM 438 CD PRO A 28 -11.545 0.855 10.254 1.00 0.00 C ATOM 0 HA PRO A 28 -8.581 -0.179 9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.175 -0.973 11.995 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.793 0.102 11.923 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.239 1.082 12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.097 1.972 11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.417 0.244 10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.916 1.807 9.874 1.00 0.00 H new ATOM 446 N LYS A 29 -8.507 -2.674 10.134 1.00 0.00 N ATOM 447 CA LYS A 29 -8.364 -4.116 9.935 1.00 0.00 C ATOM 448 C LYS A 29 -9.501 -4.912 10.587 1.00 0.00 C ATOM 449 O LYS A 29 -10.006 -5.874 10.006 1.00 0.00 O ATOM 450 CB LYS A 29 -7.009 -4.591 10.478 1.00 0.00 C ATOM 451 CG LYS A 29 -6.824 -4.350 11.971 1.00 0.00 C ATOM 452 CD LYS A 29 -5.479 -4.858 12.468 1.00 0.00 C ATOM 453 CE LYS A 29 -4.323 -4.005 11.965 1.00 0.00 C ATOM 454 NZ LYS A 29 -4.398 -2.607 12.469 1.00 0.00 N ATOM 0 H LYS A 29 -7.697 -2.233 10.570 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.415 -4.301 8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.901 -5.657 10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.212 -4.081 9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.908 -3.283 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.624 -4.846 12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.475 -4.866 13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.338 -5.888 12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.380 -4.453 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.326 -3.998 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.478 -2.141 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.128 -2.087 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.640 -2.615 13.480 1.00 0.00 H new ATOM 468 N LYS A 30 -9.918 -4.507 11.784 1.00 0.00 N ATOM 469 CA LYS A 30 -10.938 -5.254 12.509 1.00 0.00 C ATOM 470 C LYS A 30 -12.322 -5.012 11.920 1.00 0.00 C ATOM 471 O LYS A 30 -13.160 -5.916 11.891 1.00 0.00 O ATOM 472 CB LYS A 30 -10.926 -4.899 13.997 1.00 0.00 C ATOM 473 CG LYS A 30 -9.592 -5.178 14.670 1.00 0.00 C ATOM 474 CD LYS A 30 -9.697 -5.114 16.186 1.00 0.00 C ATOM 475 CE LYS A 30 -10.100 -3.731 16.675 1.00 0.00 C ATOM 476 NZ LYS A 30 -10.200 -3.678 18.157 1.00 0.00 N ATOM 0 H LYS A 30 -9.570 -3.678 12.266 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.703 -6.313 12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.170 -3.843 14.114 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.707 -5.465 14.505 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.234 -6.164 14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.854 -4.454 14.326 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.428 -5.846 16.529 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.739 -5.389 16.627 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.370 -2.997 16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.059 -3.455 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.477 -2.720 18.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.915 -4.360 18.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.279 -3.917 18.576 1.00 0.00 H new ATOM 490 N LEU A 31 -12.558 -3.803 11.431 1.00 0.00 N ATOM 491 CA LEU A 31 -13.854 -3.465 10.856 1.00 0.00 C ATOM 492 C LEU A 31 -14.011 -4.071 9.469 1.00 0.00 C ATOM 493 O LEU A 31 -15.129 -4.326 9.022 1.00 0.00 O ATOM 494 CB LEU A 31 -14.062 -1.949 10.810 1.00 0.00 C ATOM 495 CG LEU A 31 -14.294 -1.294 12.174 1.00 0.00 C ATOM 496 CD1 LEU A 31 -14.617 0.184 12.018 1.00 0.00 C ATOM 497 CD2 LEU A 31 -15.415 -2.007 12.916 1.00 0.00 C ATOM 0 H LEU A 31 -11.876 -3.045 11.420 1.00 0.00 H new ATOM 0 HA LEU A 31 -14.622 -3.890 11.502 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -13.189 -1.490 10.345 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -14.916 -1.732 10.168 1.00 0.00 H new ATOM 0 HG LEU A 31 -13.377 -1.381 12.756 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -14.778 0.627 13.001 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -13.786 0.688 11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.519 0.298 11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.570 -1.532 13.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -16.333 -1.948 12.332 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -15.146 -3.053 13.064 1.00 0.00 H new ATOM 509 N TYR A 32 -12.891 -4.315 8.796 1.00 0.00 N ATOM 510 CA TYR A 32 -12.915 -4.970 7.495 1.00 0.00 C ATOM 511 C TYR A 32 -13.535 -6.360 7.619 1.00 0.00 C ATOM 512 O TYR A 32 -14.357 -6.759 6.802 1.00 0.00 O ATOM 513 CB TYR A 32 -11.498 -5.067 6.911 1.00 0.00 C ATOM 514 CG TYR A 32 -11.451 -5.645 5.509 1.00 0.00 C ATOM 515 CD1 TYR A 32 -11.750 -4.858 4.404 1.00 0.00 C ATOM 516 CD2 TYR A 32 -11.110 -6.976 5.294 1.00 0.00 C ATOM 517 CE1 TYR A 32 -11.715 -5.381 3.123 1.00 0.00 C ATOM 518 CE2 TYR A 32 -11.071 -7.505 4.016 1.00 0.00 C ATOM 519 CZ TYR A 32 -11.375 -6.704 2.935 1.00 0.00 C ATOM 520 OH TYR A 32 -11.340 -7.229 1.661 1.00 0.00 O ATOM 0 H TYR A 32 -11.959 -4.070 9.129 1.00 0.00 H new ATOM 0 HA TYR A 32 -13.524 -4.372 6.817 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.051 -4.073 6.899 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -10.886 -5.684 7.569 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -12.014 -3.821 4.547 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.872 -7.607 6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.953 -4.756 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -10.804 -8.541 3.866 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.081 -8.173 1.703 1.00 0.00 H new ATOM 530 N GLU A 33 -13.157 -7.083 8.665 1.00 0.00 N ATOM 531 CA GLU A 33 -13.690 -8.420 8.894 1.00 0.00 C ATOM 532 C GLU A 33 -15.097 -8.342 9.486 1.00 0.00 C ATOM 533 O GLU A 33 -15.976 -9.133 9.135 1.00 0.00 O ATOM 534 CB GLU A 33 -12.770 -9.217 9.818 1.00 0.00 C ATOM 535 CG GLU A 33 -13.198 -10.666 9.992 1.00 0.00 C ATOM 536 CD GLU A 33 -12.298 -11.432 10.935 1.00 0.00 C ATOM 537 OE1 GLU A 33 -12.565 -11.421 12.153 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.319 -12.048 10.466 1.00 0.00 O ATOM 0 H GLU A 33 -12.486 -6.768 9.366 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.744 -8.934 7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.756 -9.191 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.741 -8.734 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.221 -10.696 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.202 -11.159 9.020 1.00 0.00 H new ATOM 545 N TYR A 34 -15.306 -7.370 10.370 1.00 0.00 N ATOM 546 CA TYR A 34 -16.610 -7.157 10.994 1.00 0.00 C ATOM 547 C TYR A 34 -17.686 -6.922 9.936 1.00 0.00 C ATOM 548 O TYR A 34 -18.784 -7.478 10.013 1.00 0.00 O ATOM 549 CB TYR A 34 -16.539 -5.967 11.960 1.00 0.00 C ATOM 550 CG TYR A 34 -17.868 -5.577 12.576 1.00 0.00 C ATOM 551 CD1 TYR A 34 -18.402 -6.292 13.642 1.00 0.00 C ATOM 552 CD2 TYR A 34 -18.580 -4.485 12.098 1.00 0.00 C ATOM 553 CE1 TYR A 34 -19.611 -5.928 14.210 1.00 0.00 C ATOM 554 CE2 TYR A 34 -19.788 -4.118 12.660 1.00 0.00 C ATOM 555 CZ TYR A 34 -20.299 -4.840 13.715 1.00 0.00 C ATOM 556 OH TYR A 34 -21.500 -4.471 14.281 1.00 0.00 O ATOM 0 H TYR A 34 -14.586 -6.714 10.672 1.00 0.00 H new ATOM 0 HA TYR A 34 -16.878 -8.053 11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -15.838 -6.206 12.760 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -16.133 -5.107 11.428 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.866 -7.144 14.033 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -18.183 -3.913 11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -20.014 -6.494 15.037 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -20.329 -3.268 12.273 1.00 0.00 H new ATOM 0 HH TYR A 34 -21.853 -3.684 13.815 1.00 0.00 H new ATOM 566 N LEU A 35 -17.358 -6.110 8.939 1.00 0.00 N ATOM 567 CA LEU A 35 -18.298 -5.790 7.875 1.00 0.00 C ATOM 568 C LEU A 35 -18.271 -6.856 6.783 1.00 0.00 C ATOM 569 O LEU A 35 -19.215 -6.982 6.007 1.00 0.00 O ATOM 570 CB LEU A 35 -17.987 -4.411 7.292 1.00 0.00 C ATOM 571 CG LEU A 35 -18.090 -3.257 8.292 1.00 0.00 C ATOM 572 CD1 LEU A 35 -17.660 -1.952 7.650 1.00 0.00 C ATOM 573 CD2 LEU A 35 -19.510 -3.140 8.826 1.00 0.00 C ATOM 0 H LEU A 35 -16.447 -5.661 8.846 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.302 -5.771 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -16.979 -4.426 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -18.670 -4.219 6.464 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.421 -3.468 9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -17.741 -1.145 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -16.627 -2.035 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -18.303 -1.737 6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -19.565 -2.314 9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -20.195 -2.954 7.999 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.788 -4.068 9.326 1.00 0.00 H new ATOM 585 N ASN A 36 -17.187 -7.624 6.728 1.00 0.00 N ATOM 586 CA ASN A 36 -17.090 -8.751 5.801 1.00 0.00 C ATOM 587 C ASN A 36 -18.164 -9.783 6.122 1.00 0.00 C ATOM 588 O ASN A 36 -18.747 -10.401 5.229 1.00 0.00 O ATOM 589 CB ASN A 36 -15.701 -9.392 5.885 1.00 0.00 C ATOM 590 CG ASN A 36 -15.568 -10.640 5.031 1.00 0.00 C ATOM 591 OD1 ASN A 36 -15.241 -10.565 3.848 1.00 0.00 O ATOM 592 ND2 ASN A 36 -15.803 -11.798 5.629 1.00 0.00 N ATOM 0 H ASN A 36 -16.363 -7.488 7.313 1.00 0.00 H new ATOM 0 HA ASN A 36 -17.243 -8.384 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.952 -8.664 5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.486 -9.645 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.715 -12.669 5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -16.072 -11.819 6.613 1.00 0.00 H new ATOM 599 N GLU A 37 -18.428 -9.944 7.410 1.00 0.00 N ATOM 600 CA GLU A 37 -19.455 -10.857 7.885 1.00 0.00 C ATOM 601 C GLU A 37 -20.785 -10.126 8.045 1.00 0.00 C ATOM 602 O GLU A 37 -21.647 -10.536 8.822 1.00 0.00 O ATOM 603 CB GLU A 37 -19.021 -11.472 9.219 1.00 0.00 C ATOM 604 CG GLU A 37 -18.848 -12.980 9.166 1.00 0.00 C ATOM 605 CD GLU A 37 -17.973 -13.427 8.014 1.00 0.00 C ATOM 606 OE1 GLU A 37 -16.737 -13.280 8.106 1.00 0.00 O ATOM 607 OE2 GLU A 37 -18.519 -13.934 7.013 1.00 0.00 O ATOM 0 H GLU A 37 -17.937 -9.447 8.153 1.00 0.00 H new ATOM 0 HA GLU A 37 -19.588 -11.653 7.153 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.080 -11.018 9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -19.761 -11.226 9.981 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -18.412 -13.325 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.827 -13.451 9.078 1.00 0.00 H new ATOM 614 N ASN A 38 -20.946 -9.043 7.298 1.00 0.00 N ATOM 615 CA ASN A 38 -22.162 -8.247 7.349 1.00 0.00 C ATOM 616 C ASN A 38 -22.861 -8.279 5.989 1.00 0.00 C ATOM 617 O ASN A 38 -22.274 -7.907 4.971 1.00 0.00 O ATOM 618 CB ASN A 38 -21.824 -6.810 7.770 1.00 0.00 C ATOM 619 CG ASN A 38 -23.047 -5.954 8.039 1.00 0.00 C ATOM 620 OD1 ASN A 38 -24.075 -6.084 7.383 1.00 0.00 O ATOM 621 ND2 ASN A 38 -22.940 -5.071 9.023 1.00 0.00 N ATOM 0 H ASN A 38 -20.244 -8.694 6.645 1.00 0.00 H new ATOM 0 HA ASN A 38 -22.844 -8.666 8.089 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -21.206 -6.839 8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -21.228 -6.341 6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.730 -4.470 9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -22.068 -4.993 9.546 1.00 0.00 H new ATOM 628 N PRO A 39 -24.122 -8.742 5.961 1.00 0.00 N ATOM 629 CA PRO A 39 -24.881 -8.943 4.716 1.00 0.00 C ATOM 630 C PRO A 39 -25.088 -7.668 3.893 1.00 0.00 C ATOM 631 O PRO A 39 -25.122 -7.723 2.664 1.00 0.00 O ATOM 632 CB PRO A 39 -26.234 -9.483 5.197 1.00 0.00 C ATOM 633 CG PRO A 39 -26.317 -9.107 6.637 1.00 0.00 C ATOM 634 CD PRO A 39 -24.908 -9.123 7.145 1.00 0.00 C ATOM 0 HA PRO A 39 -24.340 -9.609 4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -27.056 -9.048 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -26.295 -10.564 5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.765 -8.121 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -26.940 -9.810 7.190 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -24.767 -8.420 7.966 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.625 -10.108 7.517 1.00 0.00 H new ATOM 642 N TYR A 40 -25.212 -6.523 4.553 1.00 0.00 N ATOM 643 CA TYR A 40 -25.521 -5.283 3.845 1.00 0.00 C ATOM 644 C TYR A 40 -24.277 -4.435 3.594 1.00 0.00 C ATOM 645 O TYR A 40 -24.370 -3.224 3.369 1.00 0.00 O ATOM 646 CB TYR A 40 -26.604 -4.473 4.575 1.00 0.00 C ATOM 647 CG TYR A 40 -26.500 -4.432 6.082 1.00 0.00 C ATOM 648 CD1 TYR A 40 -27.083 -5.424 6.860 1.00 0.00 C ATOM 649 CD2 TYR A 40 -25.849 -3.392 6.727 1.00 0.00 C ATOM 650 CE1 TYR A 40 -27.015 -5.383 8.240 1.00 0.00 C ATOM 651 CE2 TYR A 40 -25.772 -3.343 8.108 1.00 0.00 C ATOM 652 CZ TYR A 40 -26.357 -4.342 8.861 1.00 0.00 C ATOM 653 OH TYR A 40 -26.285 -4.299 10.238 1.00 0.00 O ATOM 0 H TYR A 40 -25.106 -6.425 5.563 1.00 0.00 H new ATOM 0 HA TYR A 40 -25.916 -5.570 2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -26.577 -3.449 4.201 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -27.578 -4.884 4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -27.598 -6.242 6.378 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -25.394 -2.606 6.142 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -27.475 -6.163 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -25.257 -2.528 8.594 1.00 0.00 H new ATOM 0 HH TYR A 40 -25.787 -3.502 10.515 1.00 0.00 H new ATOM 663 N PHE A 41 -23.117 -5.080 3.585 1.00 0.00 N ATOM 664 CA PHE A 41 -21.867 -4.400 3.271 1.00 0.00 C ATOM 665 C PHE A 41 -21.059 -5.170 2.233 1.00 0.00 C ATOM 666 O PHE A 41 -20.700 -6.329 2.441 1.00 0.00 O ATOM 667 CB PHE A 41 -21.018 -4.205 4.529 1.00 0.00 C ATOM 668 CG PHE A 41 -21.383 -2.987 5.328 1.00 0.00 C ATOM 669 CD1 PHE A 41 -20.797 -1.764 5.047 1.00 0.00 C ATOM 670 CD2 PHE A 41 -22.302 -3.064 6.359 1.00 0.00 C ATOM 671 CE1 PHE A 41 -21.122 -0.641 5.782 1.00 0.00 C ATOM 672 CE2 PHE A 41 -22.632 -1.943 7.097 1.00 0.00 C ATOM 673 CZ PHE A 41 -22.041 -0.730 6.808 1.00 0.00 C ATOM 0 H PHE A 41 -23.016 -6.074 3.792 1.00 0.00 H new ATOM 0 HA PHE A 41 -22.129 -3.425 2.859 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -21.118 -5.086 5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -19.969 -4.137 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -20.078 -1.688 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -22.767 -4.011 6.590 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -20.657 0.307 5.554 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -23.352 -2.016 7.899 1.00 0.00 H new ATOM 0 HZ PHE A 41 -22.297 0.148 7.383 1.00 0.00 H new ATOM 683 N ILE A 42 -20.790 -4.528 1.105 1.00 0.00 N ATOM 684 CA ILE A 42 -19.857 -5.070 0.129 1.00 0.00 C ATOM 685 C ILE A 42 -18.561 -4.275 0.183 1.00 0.00 C ATOM 686 O ILE A 42 -18.525 -3.097 -0.166 1.00 0.00 O ATOM 687 CB ILE A 42 -20.428 -5.056 -1.307 1.00 0.00 C ATOM 688 CG1 ILE A 42 -21.631 -5.997 -1.404 1.00 0.00 C ATOM 689 CG2 ILE A 42 -19.356 -5.455 -2.317 1.00 0.00 C ATOM 690 CD1 ILE A 42 -22.287 -6.017 -2.769 1.00 0.00 C ATOM 0 H ILE A 42 -21.204 -3.633 0.844 1.00 0.00 H new ATOM 0 HA ILE A 42 -19.674 -6.113 0.386 1.00 0.00 H new ATOM 0 HB ILE A 42 -20.755 -4.043 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -21.310 -7.008 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -22.371 -5.702 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -19.779 -5.439 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -18.524 -4.752 -2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -18.998 -6.459 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -23.131 -6.707 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -22.640 -5.016 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -21.563 -6.342 -3.516 1.00 0.00 H new ATOM 702 N LEU A 43 -17.506 -4.915 0.653 1.00 0.00 N ATOM 703 CA LEU A 43 -16.238 -4.240 0.857 1.00 0.00 C ATOM 704 C LEU A 43 -15.358 -4.357 -0.376 1.00 0.00 C ATOM 705 O LEU A 43 -15.663 -5.105 -1.306 1.00 0.00 O ATOM 706 CB LEU A 43 -15.507 -4.808 2.080 1.00 0.00 C ATOM 707 CG LEU A 43 -16.226 -4.632 3.423 1.00 0.00 C ATOM 708 CD1 LEU A 43 -17.357 -5.637 3.579 1.00 0.00 C ATOM 709 CD2 LEU A 43 -15.242 -4.755 4.572 1.00 0.00 C ATOM 0 H LEU A 43 -17.503 -5.904 0.901 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.448 -3.186 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -15.336 -5.872 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.528 -4.334 2.148 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.662 -3.633 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.847 -5.487 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -18.081 -5.497 2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.954 -6.649 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -15.769 -4.628 5.518 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.775 -5.739 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.475 -3.987 4.478 1.00 0.00 H new ATOM 721 N THR A 44 -14.278 -3.596 -0.387 1.00 0.00 N ATOM 722 CA THR A 44 -13.323 -3.620 -1.478 1.00 0.00 C ATOM 723 C THR A 44 -11.943 -3.222 -0.968 1.00 0.00 C ATOM 724 O THR A 44 -11.792 -2.210 -0.274 1.00 0.00 O ATOM 725 CB THR A 44 -13.748 -2.664 -2.618 1.00 0.00 C ATOM 726 OG1 THR A 44 -15.079 -2.982 -3.056 1.00 0.00 O ATOM 727 CG2 THR A 44 -12.790 -2.758 -3.798 1.00 0.00 C ATOM 0 H THR A 44 -14.039 -2.944 0.361 1.00 0.00 H new ATOM 0 HA THR A 44 -13.292 -4.635 -1.875 1.00 0.00 H new ATOM 0 HB THR A 44 -13.722 -1.646 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.341 -2.371 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.113 -2.076 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.785 -2.488 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.785 -3.778 -4.182 1.00 0.00 H new ATOM 877 N PRO A 54 3.956 5.692 7.399 1.00 0.00 N ATOM 878 CA PRO A 54 4.964 6.745 7.310 1.00 0.00 C ATOM 879 C PRO A 54 5.793 6.855 8.580 1.00 0.00 C ATOM 880 O PRO A 54 5.306 7.338 9.600 1.00 0.00 O ATOM 881 CB PRO A 54 4.146 8.031 7.099 1.00 0.00 C ATOM 882 CG PRO A 54 2.736 7.590 6.879 1.00 0.00 C ATOM 883 CD PRO A 54 2.607 6.250 7.541 1.00 0.00 C ATOM 0 HA PRO A 54 5.677 6.548 6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.219 8.687 7.967 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.517 8.593 6.242 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.033 8.305 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.511 7.521 5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.314 6.341 8.587 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.857 5.627 7.053 1.00 0.00 H new ATOM 891 N ILE A 55 7.031 6.370 8.519 1.00 0.00 N ATOM 892 CA ILE A 55 7.954 6.467 9.647 1.00 0.00 C ATOM 893 C ILE A 55 9.282 5.785 9.291 1.00 0.00 C ATOM 894 O ILE A 55 10.038 5.342 10.154 1.00 0.00 O ATOM 895 CB ILE A 55 7.336 5.824 10.918 1.00 0.00 C ATOM 896 CG1 ILE A 55 8.114 6.234 12.170 1.00 0.00 C ATOM 897 CG2 ILE A 55 7.267 4.305 10.794 1.00 0.00 C ATOM 898 CD1 ILE A 55 8.077 7.721 12.440 1.00 0.00 C ATOM 0 H ILE A 55 7.419 5.905 7.698 1.00 0.00 H new ATOM 0 HA ILE A 55 8.141 7.520 9.858 1.00 0.00 H new ATOM 0 HB ILE A 55 6.316 6.195 11.015 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.706 5.706 13.032 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.152 5.917 12.064 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.830 3.885 11.700 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.650 4.038 9.936 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.272 3.905 10.657 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.648 7.941 13.342 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.512 8.255 11.595 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.044 8.040 12.578 1.00 0.00 H new ATOM 910 N ASN A 56 9.576 5.751 8.001 1.00 0.00 N ATOM 911 CA ASN A 56 10.691 4.959 7.486 1.00 0.00 C ATOM 912 C ASN A 56 11.410 5.677 6.344 1.00 0.00 C ATOM 913 O ASN A 56 11.867 5.048 5.388 1.00 0.00 O ATOM 914 CB ASN A 56 10.172 3.601 7.001 1.00 0.00 C ATOM 915 CG ASN A 56 9.146 3.723 5.880 1.00 0.00 C ATOM 916 OD1 ASN A 56 8.395 4.699 5.797 1.00 0.00 O ATOM 917 ND2 ASN A 56 9.106 2.727 5.012 1.00 0.00 N ATOM 0 H ASN A 56 9.059 6.263 7.286 1.00 0.00 H new ATOM 0 HA ASN A 56 11.408 4.816 8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.012 3.000 6.654 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.724 3.068 7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.438 2.749 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.743 1.937 5.113 1.00 0.00 H new ATOM 924 N TYR A 57 11.546 6.987 6.465 1.00 0.00 N ATOM 925 CA TYR A 57 12.132 7.792 5.400 1.00 0.00 C ATOM 926 C TYR A 57 13.616 8.051 5.647 1.00 0.00 C ATOM 927 O TYR A 57 14.121 7.836 6.748 1.00 0.00 O ATOM 928 CB TYR A 57 11.389 9.120 5.274 1.00 0.00 C ATOM 929 CG TYR A 57 9.904 8.966 5.038 1.00 0.00 C ATOM 930 CD1 TYR A 57 9.396 8.857 3.752 1.00 0.00 C ATOM 931 CD2 TYR A 57 9.012 8.929 6.102 1.00 0.00 C ATOM 932 CE1 TYR A 57 8.041 8.716 3.532 1.00 0.00 C ATOM 933 CE2 TYR A 57 7.655 8.787 5.890 1.00 0.00 C ATOM 934 CZ TYR A 57 7.175 8.683 4.601 1.00 0.00 C ATOM 935 OH TYR A 57 5.826 8.540 4.380 1.00 0.00 O ATOM 0 H TYR A 57 11.260 7.517 7.288 1.00 0.00 H new ATOM 0 HA TYR A 57 12.036 7.232 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 57 11.545 9.701 6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 57 11.821 9.691 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.071 8.883 2.910 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.386 9.013 7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.661 8.632 2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.974 8.758 6.728 1.00 0.00 H new ATOM 0 HH TYR A 57 5.682 8.022 3.560 1.00 0.00 H new ATOM 945 N THR A 58 14.302 8.512 4.607 1.00 0.00 N ATOM 946 CA THR A 58 15.721 8.831 4.685 1.00 0.00 C ATOM 947 C THR A 58 15.974 9.984 5.647 1.00 0.00 C ATOM 948 O THR A 58 15.215 10.949 5.669 1.00 0.00 O ATOM 949 CB THR A 58 16.265 9.187 3.289 1.00 0.00 C ATOM 950 OG1 THR A 58 15.838 8.198 2.344 1.00 0.00 O ATOM 951 CG2 THR A 58 17.785 9.258 3.292 1.00 0.00 C ATOM 0 H THR A 58 13.890 8.675 3.688 1.00 0.00 H new ATOM 0 HA THR A 58 16.242 7.950 5.061 1.00 0.00 H new ATOM 0 HB THR A 58 15.876 10.166 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.182 8.425 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.139 9.511 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.112 10.022 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.194 8.292 3.588 1.00 0.00 H new ATOM 959 N GLU A 59 17.028 9.862 6.453 1.00 0.00 N ATOM 960 CA GLU A 59 17.444 10.937 7.347 1.00 0.00 C ATOM 961 C GLU A 59 17.576 12.236 6.564 1.00 0.00 C ATOM 962 O GLU A 59 16.968 13.252 6.908 1.00 0.00 O ATOM 963 CB GLU A 59 18.784 10.599 8.003 1.00 0.00 C ATOM 964 CG GLU A 59 19.372 11.750 8.800 1.00 0.00 C ATOM 965 CD GLU A 59 20.880 11.836 8.680 1.00 0.00 C ATOM 966 OE1 GLU A 59 21.413 11.514 7.597 1.00 0.00 O ATOM 967 OE2 GLU A 59 21.533 12.269 9.653 1.00 0.00 O ATOM 0 H GLU A 59 17.610 9.026 6.504 1.00 0.00 H new ATOM 0 HA GLU A 59 16.689 11.054 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 59 18.651 9.741 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.493 10.302 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 18.931 12.686 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 59 19.101 11.635 9.850 1.00 0.00 H new ATOM 974 N SER A 60 18.364 12.180 5.500 1.00 0.00 N ATOM 975 CA SER A 60 18.554 13.316 4.617 1.00 0.00 C ATOM 976 C SER A 60 17.223 13.762 4.016 1.00 0.00 C ATOM 977 O SER A 60 16.997 14.958 3.819 1.00 0.00 O ATOM 978 CB SER A 60 19.545 12.956 3.505 1.00 0.00 C ATOM 979 OG SER A 60 19.827 14.074 2.680 1.00 0.00 O ATOM 0 H SER A 60 18.887 11.348 5.227 1.00 0.00 H new ATOM 0 HA SER A 60 18.960 14.143 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 60 20.470 12.585 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.135 12.148 2.898 1.00 0.00 H new ATOM 0 HG SER A 60 20.463 13.813 1.982 1.00 0.00 H new ATOM 985 N GLU A 61 16.327 12.810 3.751 1.00 0.00 N ATOM 986 CA GLU A 61 15.052 13.151 3.135 1.00 0.00 C ATOM 987 C GLU A 61 14.165 13.878 4.138 1.00 0.00 C ATOM 988 O GLU A 61 13.523 14.876 3.809 1.00 0.00 O ATOM 989 CB GLU A 61 14.354 11.900 2.600 1.00 0.00 C ATOM 990 CG GLU A 61 13.071 12.195 1.843 1.00 0.00 C ATOM 991 CD GLU A 61 12.512 10.975 1.143 1.00 0.00 C ATOM 992 OE1 GLU A 61 12.942 10.691 0.006 1.00 0.00 O ATOM 993 OE2 GLU A 61 11.634 10.302 1.717 1.00 0.00 O ATOM 0 H GLU A 61 16.459 11.818 3.950 1.00 0.00 H new ATOM 0 HA GLU A 61 15.240 13.815 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.039 11.365 1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.129 11.235 3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.326 12.584 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.260 12.977 1.107 1.00 0.00 H new ATOM 1000 N LEU A 62 14.163 13.385 5.369 1.00 0.00 N ATOM 1001 CA LEU A 62 13.375 13.969 6.447 1.00 0.00 C ATOM 1002 C LEU A 62 13.862 15.368 6.793 1.00 0.00 C ATOM 1003 O LEU A 62 13.061 16.271 7.035 1.00 0.00 O ATOM 1004 CB LEU A 62 13.455 13.084 7.688 1.00 0.00 C ATOM 1005 CG LEU A 62 12.837 11.697 7.541 1.00 0.00 C ATOM 1006 CD1 LEU A 62 13.220 10.825 8.721 1.00 0.00 C ATOM 1007 CD2 LEU A 62 11.327 11.805 7.428 1.00 0.00 C ATOM 0 H LEU A 62 14.707 12.569 5.649 1.00 0.00 H new ATOM 0 HA LEU A 62 12.342 14.038 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.503 12.969 7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.962 13.598 8.513 1.00 0.00 H new ATOM 0 HG LEU A 62 13.220 11.236 6.631 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.773 9.838 8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.305 10.729 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.858 11.281 9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.898 10.809 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.928 12.280 8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.069 12.404 6.555 1.00 0.00 H new ATOM 1019 N LYS A 63 15.177 15.545 6.816 1.00 0.00 N ATOM 1020 CA LYS A 63 15.768 16.834 7.159 1.00 0.00 C ATOM 1021 C LYS A 63 15.482 17.872 6.079 1.00 0.00 C ATOM 1022 O LYS A 63 15.586 19.077 6.317 1.00 0.00 O ATOM 1023 CB LYS A 63 17.276 16.685 7.394 1.00 0.00 C ATOM 1024 CG LYS A 63 17.596 15.931 8.676 1.00 0.00 C ATOM 1025 CD LYS A 63 19.089 15.738 8.889 1.00 0.00 C ATOM 1026 CE LYS A 63 19.364 15.089 10.240 1.00 0.00 C ATOM 1027 NZ LYS A 63 20.804 14.775 10.442 1.00 0.00 N ATOM 0 H LYS A 63 15.855 14.813 6.602 1.00 0.00 H new ATOM 0 HA LYS A 63 15.311 17.185 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 63 17.722 16.162 6.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.733 17.674 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.180 16.474 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.108 14.957 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.497 15.116 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.596 16.701 8.833 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.026 15.755 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 63 18.781 14.172 10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 21.064 14.958 11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.976 13.774 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 21.381 15.373 9.816 1.00 0.00 H new ATOM 1041 N GLY A 64 15.093 17.398 4.904 1.00 0.00 N ATOM 1042 CA GLY A 64 14.735 18.292 3.823 1.00 0.00 C ATOM 1043 C GLY A 64 13.237 18.332 3.583 1.00 0.00 C ATOM 1044 O GLY A 64 12.778 18.875 2.579 1.00 0.00 O ATOM 0 H GLY A 64 15.019 16.406 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.091 19.296 4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.239 17.975 2.910 1.00 0.00 H new ATOM 1048 N MET A 65 12.474 17.756 4.503 1.00 0.00 N ATOM 1049 CA MET A 65 11.020 17.720 4.383 1.00 0.00 C ATOM 1050 C MET A 65 10.378 18.944 5.014 1.00 0.00 C ATOM 1051 O MET A 65 10.994 19.637 5.823 1.00 0.00 O ATOM 1052 CB MET A 65 10.441 16.469 5.047 1.00 0.00 C ATOM 1053 CG MET A 65 10.500 15.220 4.190 1.00 0.00 C ATOM 1054 SD MET A 65 9.782 13.794 5.025 1.00 0.00 S ATOM 1055 CE MET A 65 9.900 12.555 3.738 1.00 0.00 C ATOM 0 H MET A 65 12.838 17.306 5.343 1.00 0.00 H new ATOM 0 HA MET A 65 10.796 17.706 3.316 1.00 0.00 H new ATOM 0 HB2 MET A 65 10.980 16.283 5.976 1.00 0.00 H new ATOM 0 HB3 MET A 65 9.402 16.662 5.315 1.00 0.00 H new ATOM 0 HG2 MET A 65 9.970 15.397 3.254 1.00 0.00 H new ATOM 0 HG3 MET A 65 11.537 15.005 3.933 1.00 0.00 H new ATOM 0 HE1 MET A 65 8.962 12.003 3.677 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.098 13.041 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.712 11.865 3.970 1.00 0.00 H new ATOM 1065 N ASN A 66 9.131 19.183 4.641 1.00 0.00 N ATOM 1066 CA ASN A 66 8.329 20.241 5.242 1.00 0.00 C ATOM 1067 C ASN A 66 7.958 19.841 6.671 1.00 0.00 C ATOM 1068 O ASN A 66 7.771 18.655 6.964 1.00 0.00 O ATOM 1069 CB ASN A 66 7.065 20.470 4.387 1.00 0.00 C ATOM 1070 CG ASN A 66 6.198 21.647 4.832 1.00 0.00 C ATOM 1071 OD1 ASN A 66 6.098 21.973 6.011 1.00 0.00 O ATOM 1072 ND2 ASN A 66 5.551 22.287 3.875 1.00 0.00 N ATOM 0 H ASN A 66 8.646 18.653 3.917 1.00 0.00 H new ATOM 0 HA ASN A 66 8.896 21.171 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.367 20.630 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.461 19.563 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.948 23.076 4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.655 21.992 2.904 1.00 0.00 H new ATOM 1079 N LYS A 67 7.878 20.826 7.556 1.00 0.00 N ATOM 1080 CA LYS A 67 7.474 20.602 8.939 1.00 0.00 C ATOM 1081 C LYS A 67 6.133 19.865 8.996 1.00 0.00 C ATOM 1082 O LYS A 67 5.948 18.955 9.808 1.00 0.00 O ATOM 1083 CB LYS A 67 7.393 21.955 9.663 1.00 0.00 C ATOM 1084 CG LYS A 67 7.012 21.875 11.135 1.00 0.00 C ATOM 1085 CD LYS A 67 5.546 22.215 11.358 1.00 0.00 C ATOM 1086 CE LYS A 67 5.231 22.371 12.838 1.00 0.00 C ATOM 1087 NZ LYS A 67 3.808 22.733 13.073 1.00 0.00 N ATOM 0 H LYS A 67 8.090 21.799 7.337 1.00 0.00 H new ATOM 0 HA LYS A 67 8.213 19.975 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.359 22.453 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.665 22.583 9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.213 20.871 11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.636 22.560 11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.301 23.138 10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.920 21.431 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.458 21.439 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.875 23.139 13.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.749 23.425 13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.408 23.147 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.271 21.880 13.329 1.00 0.00 H new ATOM 1101 N ALA A 68 5.227 20.234 8.094 1.00 0.00 N ATOM 1102 CA ALA A 68 3.894 19.638 8.040 1.00 0.00 C ATOM 1103 C ALA A 68 3.948 18.166 7.631 1.00 0.00 C ATOM 1104 O ALA A 68 3.079 17.374 8.009 1.00 0.00 O ATOM 1105 CB ALA A 68 3.008 20.421 7.084 1.00 0.00 C ATOM 0 H ALA A 68 5.393 20.948 7.385 1.00 0.00 H new ATOM 0 HA ALA A 68 3.468 19.685 9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.017 19.968 7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.924 21.452 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.446 20.405 6.086 1.00 0.00 H new ATOM 1111 N GLU A 69 4.970 17.796 6.864 1.00 0.00 N ATOM 1112 CA GLU A 69 5.148 16.407 6.453 1.00 0.00 C ATOM 1113 C GLU A 69 5.410 15.538 7.671 1.00 0.00 C ATOM 1114 O GLU A 69 4.757 14.514 7.867 1.00 0.00 O ATOM 1115 CB GLU A 69 6.306 16.276 5.465 1.00 0.00 C ATOM 1116 CG GLU A 69 6.078 17.005 4.155 1.00 0.00 C ATOM 1117 CD GLU A 69 4.904 16.452 3.375 1.00 0.00 C ATOM 1118 OE1 GLU A 69 5.077 15.433 2.673 1.00 0.00 O ATOM 1119 OE2 GLU A 69 3.810 17.046 3.440 1.00 0.00 O ATOM 0 H GLU A 69 5.684 18.436 6.516 1.00 0.00 H new ATOM 0 HA GLU A 69 4.235 16.075 5.960 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.214 16.660 5.931 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.477 15.220 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.909 18.063 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.979 16.937 3.545 1.00 0.00 H new ATOM 1126 N HIS A 70 6.363 15.969 8.495 1.00 0.00 N ATOM 1127 CA HIS A 70 6.675 15.283 9.738 1.00 0.00 C ATOM 1128 C HIS A 70 5.436 15.143 10.606 1.00 0.00 C ATOM 1129 O HIS A 70 5.203 14.084 11.182 1.00 0.00 O ATOM 1130 CB HIS A 70 7.768 16.026 10.508 1.00 0.00 C ATOM 1131 CG HIS A 70 9.115 15.927 9.869 1.00 0.00 C ATOM 1132 ND1 HIS A 70 10.091 15.060 10.310 1.00 0.00 N ATOM 1133 CD2 HIS A 70 9.651 16.591 8.818 1.00 0.00 C ATOM 1134 CE1 HIS A 70 11.164 15.192 9.556 1.00 0.00 C ATOM 1135 NE2 HIS A 70 10.924 16.114 8.646 1.00 0.00 N ATOM 0 H HIS A 70 6.933 16.796 8.319 1.00 0.00 H new ATOM 0 HA HIS A 70 7.038 14.287 9.485 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.491 17.077 10.594 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.824 15.627 11.521 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.166 17.353 8.226 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.085 14.638 9.666 1.00 0.00 H new ATOM 0 HE2 HIS A 70 11.580 16.423 7.929 1.00 0.00 H new ATOM 1144 N GLU A 71 4.641 16.208 10.681 1.00 0.00 N ATOM 1145 CA GLU A 71 3.402 16.183 11.451 1.00 0.00 C ATOM 1146 C GLU A 71 2.484 15.087 10.939 1.00 0.00 C ATOM 1147 O GLU A 71 2.009 14.258 11.712 1.00 0.00 O ATOM 1148 CB GLU A 71 2.678 17.526 11.369 1.00 0.00 C ATOM 1149 CG GLU A 71 3.503 18.703 11.851 1.00 0.00 C ATOM 1150 CD GLU A 71 2.705 19.988 11.877 1.00 0.00 C ATOM 1151 OE1 GLU A 71 2.345 20.496 10.796 1.00 0.00 O ATOM 1152 OE2 GLU A 71 2.450 20.509 12.982 1.00 0.00 O ATOM 0 H GLU A 71 4.833 17.097 10.219 1.00 0.00 H new ATOM 0 HA GLU A 71 3.661 15.986 12.491 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.380 17.704 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.764 17.471 11.960 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.883 18.493 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.369 18.828 11.201 1.00 0.00 H new ATOM 1159 N SER A 72 2.252 15.085 9.632 1.00 0.00 N ATOM 1160 CA SER A 72 1.416 14.074 8.996 1.00 0.00 C ATOM 1161 C SER A 72 1.928 12.671 9.325 1.00 0.00 C ATOM 1162 O SER A 72 1.149 11.765 9.628 1.00 0.00 O ATOM 1163 CB SER A 72 1.404 14.293 7.481 1.00 0.00 C ATOM 1164 OG SER A 72 1.028 15.626 7.160 1.00 0.00 O ATOM 0 H SER A 72 2.634 15.777 8.988 1.00 0.00 H new ATOM 0 HA SER A 72 0.399 14.165 9.378 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.392 14.082 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.710 13.594 7.015 1.00 0.00 H new ATOM 0 HG SER A 72 1.781 16.229 7.333 1.00 0.00 H new ATOM 1170 N ILE A 73 3.247 12.519 9.283 1.00 0.00 N ATOM 1171 CA ILE A 73 3.905 11.261 9.607 1.00 0.00 C ATOM 1172 C ILE A 73 3.557 10.794 11.022 1.00 0.00 C ATOM 1173 O ILE A 73 2.971 9.726 11.209 1.00 0.00 O ATOM 1174 CB ILE A 73 5.442 11.404 9.468 1.00 0.00 C ATOM 1175 CG1 ILE A 73 5.824 11.607 7.999 1.00 0.00 C ATOM 1176 CG2 ILE A 73 6.166 10.197 10.048 1.00 0.00 C ATOM 1177 CD1 ILE A 73 7.293 11.904 7.786 1.00 0.00 C ATOM 0 H ILE A 73 3.890 13.267 9.023 1.00 0.00 H new ATOM 0 HA ILE A 73 3.545 10.512 8.902 1.00 0.00 H new ATOM 0 HB ILE A 73 5.752 12.280 10.037 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.559 10.712 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.234 12.427 7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.242 10.329 9.935 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.922 10.100 11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.853 9.297 9.519 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.487 12.035 6.721 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.561 12.816 8.319 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.890 11.074 8.164 1.00 0.00 H new ATOM 1189 N ILE A 74 3.893 11.605 12.016 1.00 0.00 N ATOM 1190 CA ILE A 74 3.716 11.207 13.406 1.00 0.00 C ATOM 1191 C ILE A 74 2.262 11.283 13.860 1.00 0.00 C ATOM 1192 O ILE A 74 1.915 10.743 14.908 1.00 0.00 O ATOM 1193 CB ILE A 74 4.609 12.019 14.363 1.00 0.00 C ATOM 1194 CG1 ILE A 74 4.608 13.504 13.995 1.00 0.00 C ATOM 1195 CG2 ILE A 74 6.021 11.451 14.363 1.00 0.00 C ATOM 1196 CD1 ILE A 74 5.575 14.332 14.814 1.00 0.00 C ATOM 0 H ILE A 74 4.287 12.537 11.887 1.00 0.00 H new ATOM 0 HA ILE A 74 4.026 10.163 13.449 1.00 0.00 H new ATOM 0 HB ILE A 74 4.203 11.937 15.371 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.857 13.608 12.939 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.601 13.901 14.126 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.646 12.031 15.042 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.995 10.412 14.691 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.434 11.503 13.356 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.520 15.374 14.498 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.313 14.258 15.870 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.589 13.961 14.665 1.00 0.00 H new ATOM 1208 N SER A 75 1.412 11.942 13.088 1.00 0.00 N ATOM 1209 CA SER A 75 -0.016 11.939 13.385 1.00 0.00 C ATOM 1210 C SER A 75 -0.608 10.576 13.056 1.00 0.00 C ATOM 1211 O SER A 75 -1.350 10.004 13.853 1.00 0.00 O ATOM 1212 CB SER A 75 -0.746 13.036 12.606 1.00 0.00 C ATOM 1213 OG SER A 75 -0.281 14.321 12.984 1.00 0.00 O ATOM 0 H SER A 75 1.678 12.479 12.263 1.00 0.00 H new ATOM 0 HA SER A 75 -0.146 12.141 14.448 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.594 12.890 11.536 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.818 12.965 12.788 1.00 0.00 H new ATOM 0 HG SER A 75 0.449 14.593 12.389 1.00 0.00 H new ATOM 1219 N ASN A 76 -0.245 10.042 11.894 1.00 0.00 N ATOM 1220 CA ASN A 76 -0.740 8.741 11.463 1.00 0.00 C ATOM 1221 C ASN A 76 -0.062 7.620 12.238 1.00 0.00 C ATOM 1222 O ASN A 76 -0.652 6.566 12.463 1.00 0.00 O ATOM 1223 CB ASN A 76 -0.529 8.547 9.958 1.00 0.00 C ATOM 1224 CG ASN A 76 -1.423 9.450 9.126 1.00 0.00 C ATOM 1225 OD1 ASN A 76 -2.527 9.802 9.540 1.00 0.00 O ATOM 1226 ND2 ASN A 76 -0.953 9.830 7.947 1.00 0.00 N ATOM 0 H ASN A 76 0.390 10.491 11.234 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.810 8.707 11.669 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.514 8.746 9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.725 7.507 9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.512 10.436 7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.032 9.516 7.640 1.00 0.00 H new ATOM 1233 N LEU A 77 1.180 7.854 12.648 1.00 0.00 N ATOM 1234 CA LEU A 77 1.911 6.886 13.457 1.00 0.00 C ATOM 1235 C LEU A 77 1.288 6.754 14.844 1.00 0.00 C ATOM 1236 O LEU A 77 1.285 5.676 15.434 1.00 0.00 O ATOM 1237 CB LEU A 77 3.376 7.305 13.600 1.00 0.00 C ATOM 1238 CG LEU A 77 4.235 6.357 14.439 1.00 0.00 C ATOM 1239 CD1 LEU A 77 4.490 5.059 13.690 1.00 0.00 C ATOM 1240 CD2 LEU A 77 5.542 7.024 14.827 1.00 0.00 C ATOM 0 H LEU A 77 1.701 8.704 12.434 1.00 0.00 H new ATOM 0 HA LEU A 77 1.857 5.922 12.951 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.815 7.386 12.606 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.413 8.298 14.047 1.00 0.00 H new ATOM 0 HG LEU A 77 3.691 6.118 15.353 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.103 4.399 14.304 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.539 4.572 13.471 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.011 5.274 12.757 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.139 6.334 15.423 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.093 7.296 13.927 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.334 7.921 15.410 1.00 0.00 H new ATOM 1252 N GLY A 78 0.765 7.859 15.358 1.00 0.00 N ATOM 1253 CA GLY A 78 0.200 7.860 16.691 1.00 0.00 C ATOM 1254 C GLY A 78 1.132 8.491 17.707 1.00 0.00 C ATOM 1255 O GLY A 78 1.216 8.044 18.852 1.00 0.00 O ATOM 0 H GLY A 78 0.722 8.756 14.874 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.746 8.402 16.683 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.022 6.836 16.991 1.00 0.00 H new ATOM 1259 N ARG A 79 1.847 9.522 17.280 1.00 0.00 N ATOM 1260 CA ARG A 79 2.739 10.256 18.167 1.00 0.00 C ATOM 1261 C ARG A 79 2.260 11.693 18.337 1.00 0.00 C ATOM 1262 O ARG A 79 2.118 12.177 19.460 1.00 0.00 O ATOM 1263 CB ARG A 79 4.174 10.250 17.632 1.00 0.00 C ATOM 1264 CG ARG A 79 5.156 10.965 18.550 1.00 0.00 C ATOM 1265 CD ARG A 79 5.175 10.325 19.928 1.00 0.00 C ATOM 1266 NE ARG A 79 5.972 11.082 20.889 1.00 0.00 N ATOM 1267 CZ ARG A 79 5.897 10.902 22.208 1.00 0.00 C ATOM 1268 NH1 ARG A 79 5.059 9.998 22.713 1.00 0.00 N ATOM 1269 NH2 ARG A 79 6.653 11.627 23.023 1.00 0.00 N ATOM 0 H ARG A 79 1.827 9.870 16.322 1.00 0.00 H new ATOM 0 HA ARG A 79 2.727 9.758 19.137 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.500 9.219 17.494 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.192 10.724 16.651 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.155 10.933 18.116 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.880 12.016 18.637 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.153 10.238 20.298 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.573 9.313 19.849 1.00 0.00 H new ATOM 0 HE ARG A 79 6.620 11.785 20.533 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.473 9.442 22.090 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.003 9.862 23.722 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.293 12.323 22.641 1.00 0.00 H new ATOM 0 HH22 ARG A 79 6.594 11.488 24.032 1.00 0.00 H new ATOM 1283 N ASN A 80 2.011 12.352 17.202 1.00 0.00 N ATOM 1284 CA ASN A 80 1.598 13.760 17.156 1.00 0.00 C ATOM 1285 C ASN A 80 2.734 14.685 17.608 1.00 0.00 C ATOM 1286 O ASN A 80 3.394 14.437 18.618 1.00 0.00 O ATOM 1287 CB ASN A 80 0.340 14.001 18.003 1.00 0.00 C ATOM 1288 CG ASN A 80 -0.262 15.371 17.763 1.00 0.00 C ATOM 1289 OD1 ASN A 80 -1.099 15.541 16.878 1.00 0.00 O ATOM 1290 ND2 ASN A 80 0.149 16.355 18.549 1.00 0.00 N ATOM 0 H ASN A 80 2.091 11.921 16.281 1.00 0.00 H new ATOM 0 HA ASN A 80 1.358 13.995 16.119 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.402 13.236 17.774 1.00 0.00 H new ATOM 0 HB3 ASN A 80 0.590 13.897 19.059 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.231 17.294 18.431 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.845 16.173 19.272 1.00 0.00 H new ATOM 1297 N PRO A 81 2.983 15.772 16.863 1.00 0.00 N ATOM 1298 CA PRO A 81 4.055 16.707 17.178 1.00 0.00 C ATOM 1299 C PRO A 81 3.661 17.703 18.268 1.00 0.00 C ATOM 1300 O PRO A 81 3.638 18.914 18.047 1.00 0.00 O ATOM 1301 CB PRO A 81 4.319 17.424 15.853 1.00 0.00 C ATOM 1302 CG PRO A 81 3.103 17.215 15.005 1.00 0.00 C ATOM 1303 CD PRO A 81 2.233 16.176 15.668 1.00 0.00 C ATOM 0 HA PRO A 81 4.933 16.195 17.573 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.500 18.486 16.016 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.206 17.021 15.364 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.556 18.151 14.890 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.389 16.888 14.005 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.258 16.585 15.932 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.054 15.328 15.007 1.00 0.00 H new ATOM 1311 N SER A 82 3.367 17.176 19.451 1.00 0.00 N ATOM 1312 CA SER A 82 2.956 17.996 20.579 1.00 0.00 C ATOM 1313 C SER A 82 4.162 18.520 21.362 1.00 0.00 C ATOM 1314 O SER A 82 4.043 19.468 22.138 1.00 0.00 O ATOM 1315 CB SER A 82 2.027 17.186 21.483 1.00 0.00 C ATOM 1316 OG SER A 82 2.460 15.837 21.570 1.00 0.00 O ATOM 0 H SER A 82 3.407 16.177 19.652 1.00 0.00 H new ATOM 0 HA SER A 82 2.420 18.866 20.200 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.002 17.630 22.478 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.010 17.222 21.093 1.00 0.00 H new ATOM 0 HG SER A 82 1.853 15.336 22.154 1.00 0.00 H new ATOM 1322 N ASP A 83 5.320 17.897 21.165 1.00 0.00 N ATOM 1323 CA ASP A 83 6.554 18.378 21.782 1.00 0.00 C ATOM 1324 C ASP A 83 7.756 18.047 20.906 1.00 0.00 C ATOM 1325 O ASP A 83 8.424 17.026 21.093 1.00 0.00 O ATOM 1326 CB ASP A 83 6.755 17.797 23.186 1.00 0.00 C ATOM 1327 CG ASP A 83 7.935 18.426 23.909 1.00 0.00 C ATOM 1328 OD1 ASP A 83 7.758 19.502 24.518 1.00 0.00 O ATOM 1329 OD2 ASP A 83 9.046 17.853 23.873 1.00 0.00 O ATOM 0 H ASP A 83 5.431 17.064 20.587 1.00 0.00 H new ATOM 0 HA ASP A 83 6.466 19.460 21.877 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.849 17.950 23.773 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.909 16.720 23.112 1.00 0.00 H new ATOM 1334 N PHE A 84 7.974 18.885 19.907 1.00 0.00 N ATOM 1335 CA PHE A 84 9.140 18.786 19.041 1.00 0.00 C ATOM 1336 C PHE A 84 9.627 20.184 18.699 1.00 0.00 C ATOM 1337 O PHE A 84 8.972 20.912 17.949 1.00 0.00 O ATOM 1338 CB PHE A 84 8.817 18.010 17.755 1.00 0.00 C ATOM 1339 CG PHE A 84 8.596 16.536 17.965 1.00 0.00 C ATOM 1340 CD1 PHE A 84 9.660 15.652 17.922 1.00 0.00 C ATOM 1341 CD2 PHE A 84 7.324 16.039 18.200 1.00 0.00 C ATOM 1342 CE1 PHE A 84 9.462 14.296 18.113 1.00 0.00 C ATOM 1343 CE2 PHE A 84 7.120 14.686 18.392 1.00 0.00 C ATOM 1344 CZ PHE A 84 8.189 13.814 18.348 1.00 0.00 C ATOM 0 H PHE A 84 7.348 19.655 19.672 1.00 0.00 H new ATOM 0 HA PHE A 84 9.921 18.240 19.570 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.925 18.439 17.299 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.634 18.147 17.046 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.657 16.025 17.737 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.483 16.716 18.233 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.301 13.616 18.078 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.124 14.311 18.576 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.030 12.756 18.497 1.00 0.00 H new ATOM 1354 N LYS A 85 10.760 20.559 19.262 1.00 0.00 N ATOM 1355 CA LYS A 85 11.293 21.903 19.093 1.00 0.00 C ATOM 1356 C LYS A 85 12.435 21.917 18.084 1.00 0.00 C ATOM 1357 O LYS A 85 12.673 22.924 17.418 1.00 0.00 O ATOM 1358 CB LYS A 85 11.766 22.445 20.442 1.00 0.00 C ATOM 1359 CG LYS A 85 10.655 22.524 21.477 1.00 0.00 C ATOM 1360 CD LYS A 85 11.182 22.905 22.847 1.00 0.00 C ATOM 1361 CE LYS A 85 10.058 23.005 23.870 1.00 0.00 C ATOM 1362 NZ LYS A 85 9.279 21.740 23.978 1.00 0.00 N ATOM 0 H LYS A 85 11.334 19.949 19.844 1.00 0.00 H new ATOM 0 HA LYS A 85 10.500 22.544 18.708 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.564 21.808 20.823 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.192 23.438 20.299 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.913 23.256 21.157 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.147 21.561 21.538 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.910 22.164 23.177 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.704 23.860 22.784 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.478 23.255 24.844 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.388 23.819 23.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.677 21.774 24.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.682 21.627 23.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.933 20.935 24.050 1.00 0.00 H new ATOM 1376 N ASN A 86 13.132 20.795 17.971 1.00 0.00 N ATOM 1377 CA ASN A 86 14.257 20.691 17.050 1.00 0.00 C ATOM 1378 C ASN A 86 13.893 19.833 15.850 1.00 0.00 C ATOM 1379 O ASN A 86 13.045 18.942 15.943 1.00 0.00 O ATOM 1380 CB ASN A 86 15.483 20.082 17.740 1.00 0.00 C ATOM 1381 CG ASN A 86 16.003 20.920 18.890 1.00 0.00 C ATOM 1382 OD1 ASN A 86 15.853 22.140 18.909 1.00 0.00 O ATOM 1383 ND2 ASN A 86 16.638 20.266 19.851 1.00 0.00 N ATOM 0 H ASN A 86 12.940 19.946 18.503 1.00 0.00 H new ATOM 0 HA ASN A 86 14.497 21.701 16.719 1.00 0.00 H new ATOM 0 HB2 ASN A 86 15.227 19.089 18.110 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.278 19.953 17.005 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.024 20.776 20.645 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.740 19.253 19.797 1.00 0.00 H new ATOM 1390 N ALA A 87 14.548 20.095 14.727 1.00 0.00 N ATOM 1391 CA ALA A 87 14.395 19.264 13.546 1.00 0.00 C ATOM 1392 C ALA A 87 15.060 17.922 13.794 1.00 0.00 C ATOM 1393 O ALA A 87 14.551 16.875 13.397 1.00 0.00 O ATOM 1394 CB ALA A 87 15.002 19.945 12.326 1.00 0.00 C ATOM 0 H ALA A 87 15.191 20.878 14.611 1.00 0.00 H new ATOM 0 HA ALA A 87 13.334 19.112 13.348 1.00 0.00 H new ATOM 0 HB1 ALA A 87 14.877 19.305 11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.500 20.897 12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 87 16.064 20.120 12.498 1.00 0.00 H new ATOM 1400 N ASP A 88 16.188 17.977 14.492 1.00 0.00 N ATOM 1401 CA ASP A 88 16.931 16.782 14.883 1.00 0.00 C ATOM 1402 C ASP A 88 16.034 15.817 15.655 1.00 0.00 C ATOM 1403 O ASP A 88 16.069 14.608 15.428 1.00 0.00 O ATOM 1404 CB ASP A 88 18.140 17.183 15.732 1.00 0.00 C ATOM 1405 CG ASP A 88 18.882 15.994 16.302 1.00 0.00 C ATOM 1406 OD1 ASP A 88 19.666 15.363 15.562 1.00 0.00 O ATOM 1407 OD2 ASP A 88 18.700 15.698 17.500 1.00 0.00 O ATOM 0 H ASP A 88 16.614 18.850 14.803 1.00 0.00 H new ATOM 0 HA ASP A 88 17.279 16.273 13.984 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.825 17.774 15.123 1.00 0.00 H new ATOM 0 HB3 ASP A 88 17.807 17.823 16.549 1.00 0.00 H new ATOM 1412 N GLU A 89 15.213 16.373 16.544 1.00 0.00 N ATOM 1413 CA GLU A 89 14.258 15.590 17.329 1.00 0.00 C ATOM 1414 C GLU A 89 13.276 14.852 16.425 1.00 0.00 C ATOM 1415 O GLU A 89 13.000 13.667 16.621 1.00 0.00 O ATOM 1416 CB GLU A 89 13.480 16.512 18.266 1.00 0.00 C ATOM 1417 CG GLU A 89 14.321 17.124 19.369 1.00 0.00 C ATOM 1418 CD GLU A 89 14.746 16.108 20.404 1.00 0.00 C ATOM 1419 OE1 GLU A 89 13.869 15.606 21.139 1.00 0.00 O ATOM 1420 OE2 GLU A 89 15.956 15.810 20.490 1.00 0.00 O ATOM 0 H GLU A 89 15.190 17.374 16.741 1.00 0.00 H new ATOM 0 HA GLU A 89 14.819 14.856 17.907 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.030 17.313 17.679 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.663 15.949 18.717 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.207 17.586 18.933 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.755 17.918 19.855 1.00 0.00 H new ATOM 1427 N ARG A 90 12.757 15.566 15.435 1.00 0.00 N ATOM 1428 CA ARG A 90 11.777 15.007 14.515 1.00 0.00 C ATOM 1429 C ARG A 90 12.377 13.844 13.729 1.00 0.00 C ATOM 1430 O ARG A 90 11.769 12.779 13.610 1.00 0.00 O ATOM 1431 CB ARG A 90 11.270 16.092 13.560 1.00 0.00 C ATOM 1432 CG ARG A 90 10.516 17.215 14.260 1.00 0.00 C ATOM 1433 CD ARG A 90 10.166 18.341 13.297 1.00 0.00 C ATOM 1434 NE ARG A 90 9.362 19.386 13.934 1.00 0.00 N ATOM 1435 CZ ARG A 90 9.425 20.680 13.611 1.00 0.00 C ATOM 1436 NH1 ARG A 90 10.267 21.099 12.673 1.00 0.00 N ATOM 1437 NH2 ARG A 90 8.640 21.551 14.229 1.00 0.00 N ATOM 0 H ARG A 90 13.000 16.539 15.248 1.00 0.00 H new ATOM 0 HA ARG A 90 10.935 14.629 15.095 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.118 16.515 13.021 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.616 15.634 12.817 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.603 16.819 14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.123 17.608 15.075 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.084 18.780 12.905 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.620 17.933 12.447 1.00 0.00 H new ATOM 0 HE ARG A 90 8.713 19.108 14.670 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.871 20.431 12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.310 22.089 12.431 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.991 21.232 14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 90 8.685 22.540 13.985 1.00 0.00 H new ATOM 1451 N ILE A 91 13.577 14.051 13.205 1.00 0.00 N ATOM 1452 CA ILE A 91 14.270 13.013 12.454 1.00 0.00 C ATOM 1453 C ILE A 91 14.643 11.848 13.373 1.00 0.00 C ATOM 1454 O ILE A 91 14.494 10.685 13.000 1.00 0.00 O ATOM 1455 CB ILE A 91 15.536 13.568 11.741 1.00 0.00 C ATOM 1456 CG1 ILE A 91 15.161 14.310 10.453 1.00 0.00 C ATOM 1457 CG2 ILE A 91 16.528 12.460 11.417 1.00 0.00 C ATOM 1458 CD1 ILE A 91 14.427 15.613 10.667 1.00 0.00 C ATOM 0 H ILE A 91 14.091 14.928 13.286 1.00 0.00 H new ATOM 0 HA ILE A 91 13.588 12.652 11.684 1.00 0.00 H new ATOM 0 HB ILE A 91 16.009 14.266 12.432 1.00 0.00 H new ATOM 0 HG12 ILE A 91 16.071 14.510 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 91 14.541 13.656 9.840 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.399 12.886 10.920 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.840 11.970 12.339 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.056 11.730 10.760 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.203 16.067 9.702 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.497 15.423 11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 91 15.051 16.290 11.251 1.00 0.00 H new ATOM 1470 N ALA A 92 15.084 12.173 14.584 1.00 0.00 N ATOM 1471 CA ALA A 92 15.503 11.163 15.552 1.00 0.00 C ATOM 1472 C ALA A 92 14.367 10.210 15.890 1.00 0.00 C ATOM 1473 O ALA A 92 14.576 9.002 16.012 1.00 0.00 O ATOM 1474 CB ALA A 92 16.024 11.823 16.821 1.00 0.00 C ATOM 0 H ALA A 92 15.161 13.133 14.920 1.00 0.00 H new ATOM 0 HA ALA A 92 16.306 10.584 15.096 1.00 0.00 H new ATOM 0 HB1 ALA A 92 16.332 11.055 17.531 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.878 12.455 16.578 1.00 0.00 H new ATOM 0 HB3 ALA A 92 15.236 12.432 17.264 1.00 0.00 H new ATOM 1480 N TYR A 93 13.162 10.747 16.036 1.00 0.00 N ATOM 1481 CA TYR A 93 12.016 9.919 16.379 1.00 0.00 C ATOM 1482 C TYR A 93 11.613 9.036 15.203 1.00 0.00 C ATOM 1483 O TYR A 93 11.219 7.888 15.389 1.00 0.00 O ATOM 1484 CB TYR A 93 10.825 10.764 16.834 1.00 0.00 C ATOM 1485 CG TYR A 93 9.702 9.923 17.403 1.00 0.00 C ATOM 1486 CD1 TYR A 93 9.733 9.498 18.725 1.00 0.00 C ATOM 1487 CD2 TYR A 93 8.629 9.529 16.612 1.00 0.00 C ATOM 1488 CE1 TYR A 93 8.726 8.709 19.246 1.00 0.00 C ATOM 1489 CE2 TYR A 93 7.621 8.735 17.125 1.00 0.00 C ATOM 1490 CZ TYR A 93 7.675 8.327 18.442 1.00 0.00 C ATOM 1491 OH TYR A 93 6.673 7.535 18.954 1.00 0.00 O ATOM 0 H TYR A 93 12.955 11.740 15.924 1.00 0.00 H new ATOM 0 HA TYR A 93 12.315 9.282 17.212 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.157 11.479 17.587 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.450 11.342 15.990 1.00 0.00 H new ATOM 0 HD1 TYR A 93 10.559 9.790 19.357 1.00 0.00 H new ATOM 0 HD2 TYR A 93 8.582 9.848 15.581 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.763 8.393 20.278 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.795 8.435 16.498 1.00 0.00 H new ATOM 0 HH TYR A 93 6.008 7.358 18.257 1.00 0.00 H new ATOM 1501 N ILE A 94 11.711 9.567 13.991 1.00 0.00 N ATOM 1502 CA ILE A 94 11.368 8.791 12.806 1.00 0.00 C ATOM 1503 C ILE A 94 12.415 7.699 12.556 1.00 0.00 C ATOM 1504 O ILE A 94 12.075 6.574 12.186 1.00 0.00 O ATOM 1505 CB ILE A 94 11.206 9.698 11.560 1.00 0.00 C ATOM 1506 CG1 ILE A 94 10.117 10.755 11.817 1.00 0.00 C ATOM 1507 CG2 ILE A 94 10.861 8.862 10.333 1.00 0.00 C ATOM 1508 CD1 ILE A 94 9.898 11.721 10.665 1.00 0.00 C ATOM 0 H ILE A 94 12.021 10.520 13.803 1.00 0.00 H new ATOM 0 HA ILE A 94 10.406 8.312 12.988 1.00 0.00 H new ATOM 0 HB ILE A 94 12.151 10.207 11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 94 9.177 10.246 12.033 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.383 11.324 12.708 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.751 9.515 9.467 1.00 0.00 H new ATOM 0 HG22 ILE A 94 11.659 8.143 10.146 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.926 8.329 10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.115 12.431 10.930 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.823 12.260 10.461 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.599 11.165 9.776 1.00 0.00 H new ATOM 1520 N LEU A 95 13.680 8.022 12.801 1.00 0.00 N ATOM 1521 CA LEU A 95 14.760 7.044 12.672 1.00 0.00 C ATOM 1522 C LEU A 95 14.712 6.018 13.803 1.00 0.00 C ATOM 1523 O LEU A 95 15.289 4.936 13.694 1.00 0.00 O ATOM 1524 CB LEU A 95 16.128 7.741 12.655 1.00 0.00 C ATOM 1525 CG LEU A 95 16.697 8.054 11.266 1.00 0.00 C ATOM 1526 CD1 LEU A 95 16.971 6.768 10.501 1.00 0.00 C ATOM 1527 CD2 LEU A 95 15.754 8.949 10.476 1.00 0.00 C ATOM 0 H LEU A 95 13.985 8.951 13.090 1.00 0.00 H new ATOM 0 HA LEU A 95 14.620 6.522 11.726 1.00 0.00 H new ATOM 0 HB2 LEU A 95 16.047 8.674 13.213 1.00 0.00 H new ATOM 0 HB3 LEU A 95 16.842 7.112 13.187 1.00 0.00 H new ATOM 0 HG LEU A 95 17.637 8.589 11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 95 17.374 7.009 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 95 17.692 6.164 11.051 1.00 0.00 H new ATOM 0 HD13 LEU A 95 16.043 6.209 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 95 16.183 9.154 9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 95 14.794 8.448 10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 95 15.608 9.887 11.012 1.00 0.00 H new ATOM 1539 N LYS A 96 14.013 6.362 14.881 1.00 0.00 N ATOM 1540 CA LYS A 96 13.874 5.472 16.029 1.00 0.00 C ATOM 1541 C LYS A 96 13.185 4.171 15.625 1.00 0.00 C ATOM 1542 O LYS A 96 13.616 3.087 16.012 1.00 0.00 O ATOM 1543 CB LYS A 96 13.084 6.166 17.141 1.00 0.00 C ATOM 1544 CG LYS A 96 12.937 5.342 18.411 1.00 0.00 C ATOM 1545 CD LYS A 96 12.135 6.097 19.458 1.00 0.00 C ATOM 1546 CE LYS A 96 11.972 5.292 20.738 1.00 0.00 C ATOM 1547 NZ LYS A 96 13.277 4.998 21.388 1.00 0.00 N ATOM 0 H LYS A 96 13.532 7.256 14.983 1.00 0.00 H new ATOM 0 HA LYS A 96 14.870 5.231 16.400 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.576 7.107 17.387 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.091 6.414 16.765 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.444 4.397 18.181 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.923 5.099 18.808 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.631 7.041 19.684 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.152 6.342 19.055 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.338 5.843 21.433 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.461 4.356 20.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.112 4.600 22.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.805 4.312 20.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.828 5.876 21.473 1.00 0.00 H new ATOM 1561 N GLN A 97 12.127 4.282 14.830 1.00 0.00 N ATOM 1562 CA GLN A 97 11.391 3.106 14.373 1.00 0.00 C ATOM 1563 C GLN A 97 12.223 2.303 13.382 1.00 0.00 C ATOM 1564 O GLN A 97 12.196 1.070 13.390 1.00 0.00 O ATOM 1565 CB GLN A 97 10.053 3.504 13.739 1.00 0.00 C ATOM 1566 CG GLN A 97 8.933 3.759 14.742 1.00 0.00 C ATOM 1567 CD GLN A 97 9.265 4.845 15.746 1.00 0.00 C ATOM 1568 OE1 GLN A 97 9.784 4.575 16.828 1.00 0.00 O ATOM 1569 NE2 GLN A 97 8.969 6.081 15.393 1.00 0.00 N ATOM 0 H GLN A 97 11.760 5.170 14.489 1.00 0.00 H new ATOM 0 HA GLN A 97 11.185 2.483 15.244 1.00 0.00 H new ATOM 0 HB2 GLN A 97 10.201 4.403 13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.740 2.715 13.055 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.027 4.037 14.203 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.715 2.834 15.276 1.00 0.00 H new ATOM 0 HE21 GLN A 97 8.539 6.263 14.486 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.170 6.854 16.027 1.00 0.00 H new ATOM 1578 N ILE A 98 12.971 3.007 12.540 1.00 0.00 N ATOM 1579 CA ILE A 98 13.854 2.359 11.574 1.00 0.00 C ATOM 1580 C ILE A 98 14.957 1.582 12.292 1.00 0.00 C ATOM 1581 O ILE A 98 15.298 0.465 11.910 1.00 0.00 O ATOM 1582 CB ILE A 98 14.484 3.389 10.610 1.00 0.00 C ATOM 1583 CG1 ILE A 98 13.383 4.129 9.845 1.00 0.00 C ATOM 1584 CG2 ILE A 98 15.442 2.705 9.641 1.00 0.00 C ATOM 1585 CD1 ILE A 98 13.901 5.175 8.881 1.00 0.00 C ATOM 0 H ILE A 98 12.984 4.026 12.506 1.00 0.00 H new ATOM 0 HA ILE A 98 13.249 1.665 10.990 1.00 0.00 H new ATOM 0 HB ILE A 98 15.054 4.112 11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.788 3.403 9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.716 4.608 10.561 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.874 3.448 8.971 1.00 0.00 H new ATOM 0 HG22 ILE A 98 16.238 2.215 10.202 1.00 0.00 H new ATOM 0 HG23 ILE A 98 14.899 1.962 9.056 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.061 5.654 8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 98 14.471 5.925 9.430 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.544 4.700 8.140 1.00 0.00 H new ATOM 1597 N ASP A 99 15.501 2.183 13.339 1.00 0.00 N ATOM 1598 CA ASP A 99 16.519 1.536 14.162 1.00 0.00 C ATOM 1599 C ASP A 99 15.915 0.374 14.950 1.00 0.00 C ATOM 1600 O ASP A 99 16.542 -0.672 15.122 1.00 0.00 O ATOM 1601 CB ASP A 99 17.141 2.567 15.109 1.00 0.00 C ATOM 1602 CG ASP A 99 18.033 1.955 16.173 1.00 0.00 C ATOM 1603 OD1 ASP A 99 19.071 1.358 15.820 1.00 0.00 O ATOM 1604 OD2 ASP A 99 17.708 2.096 17.370 1.00 0.00 O ATOM 0 H ASP A 99 15.254 3.125 13.643 1.00 0.00 H new ATOM 0 HA ASP A 99 17.298 1.132 13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 99 17.723 3.280 14.525 1.00 0.00 H new ATOM 0 HB3 ASP A 99 16.343 3.129 15.595 1.00 0.00 H new