USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 406 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 5 GLN : amide:sc= 0.961! K(o=2.1!,f=0.068) USER MOD Set 1.2: A 15 GLN : amide:sc= 1.16 K(o=2.1,f=0.068) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00407 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -105:sc= 1.26 USER MOD Single : A 9 SER OG : rot 180:sc= 0.489 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00659 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.953 K(o=0.95,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0452 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.6) USER MOD Single : B 5 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.16) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc=-0.00011 X(o=-0.00011,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 120:sc= 0.342 USER MOD Single : B 29 LYS NZ :NH3+ 166:sc= 1.21 (180deg=1.17) USER MOD Single : B 30 THR OG1 : rot 72:sc= 0.293 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.361 5.622 -3.948 1.00 0.00 N ATOM 2 CA GLY A 1 -6.197 4.931 -5.248 1.00 0.00 C ATOM 3 C GLY A 1 -4.784 4.393 -5.398 1.00 0.00 C ATOM 4 O GLY A 1 -3.824 5.098 -5.098 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.978 6.450 -4.070 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.789 4.970 -3.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.431 5.932 -3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.913 4.112 -5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.417 5.621 -6.062 1.00 0.00 H new ATOM 10 N ILE A 2 -4.633 3.149 -5.865 1.00 0.00 N ATOM 11 CA ILE A 2 -3.332 2.449 -5.956 1.00 0.00 C ATOM 12 C ILE A 2 -2.488 2.966 -7.126 1.00 0.00 C ATOM 13 O ILE A 2 -1.275 3.104 -6.987 1.00 0.00 O ATOM 14 CB ILE A 2 -3.577 0.924 -6.005 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.281 0.142 -6.299 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.635 0.591 -7.058 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.327 -1.377 -6.076 1.00 0.00 C ATOM 0 H ILE A 2 -5.417 2.586 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.741 2.663 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.934 0.620 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.001 0.325 -7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.486 0.554 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.798 -0.486 -7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.569 1.094 -6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.293 0.928 -8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.356 -1.810 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.568 -1.585 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.090 -1.816 -6.719 1.00 0.00 H new ATOM 29 N VAL A 3 -3.123 3.332 -8.240 1.00 0.00 N ATOM 30 CA VAL A 3 -2.565 4.072 -9.382 1.00 0.00 C ATOM 31 C VAL A 3 -1.665 5.222 -8.965 1.00 0.00 C ATOM 32 O VAL A 3 -0.602 5.403 -9.549 1.00 0.00 O ATOM 33 CB VAL A 3 -3.713 4.664 -10.217 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.211 5.226 -11.558 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.843 3.673 -10.546 1.00 0.00 C ATOM 0 H VAL A 3 -4.107 3.106 -8.382 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.969 3.358 -9.950 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.113 5.449 -9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.052 5.635 -12.119 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.481 6.014 -11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.744 4.428 -12.135 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.608 4.177 -11.137 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.438 2.836 -11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.284 3.304 -9.620 1.00 0.00 H new ATOM 45 N GLU A 4 -2.044 5.975 -7.931 1.00 0.00 N ATOM 46 CA GLU A 4 -1.250 7.121 -7.488 1.00 0.00 C ATOM 47 C GLU A 4 0.142 6.688 -6.989 1.00 0.00 C ATOM 48 O GLU A 4 1.125 7.407 -7.178 1.00 0.00 O ATOM 49 CB GLU A 4 -2.035 7.896 -6.418 1.00 0.00 C ATOM 50 CG GLU A 4 -1.307 9.176 -5.993 1.00 0.00 C ATOM 51 CD GLU A 4 -2.191 10.040 -5.075 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.856 10.983 -5.576 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.225 9.795 -3.844 1.00 0.00 O ATOM 0 H GLU A 4 -2.892 5.813 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.073 7.783 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.022 8.150 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.188 7.259 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.384 8.917 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.027 9.749 -6.877 1.00 0.00 H new ATOM 60 N GLN A 5 0.248 5.477 -6.432 1.00 0.00 N ATOM 61 CA GLN A 5 1.501 4.840 -6.019 1.00 0.00 C ATOM 62 C GLN A 5 2.163 4.061 -7.156 1.00 0.00 C ATOM 63 O GLN A 5 3.368 4.191 -7.349 1.00 0.00 O ATOM 64 CB GLN A 5 1.234 3.912 -4.816 1.00 0.00 C ATOM 65 CG GLN A 5 2.390 3.935 -3.790 1.00 0.00 C ATOM 66 CD GLN A 5 3.423 2.813 -3.925 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.698 2.092 -2.977 1.00 0.00 O ATOM 68 NE2 GLN A 5 4.059 2.615 -5.060 1.00 0.00 N ATOM 0 H GLN A 5 -0.568 4.892 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 5 2.196 5.629 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.309 4.214 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.087 2.892 -5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.907 4.891 -3.874 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.963 3.891 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.852 3.200 -5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.759 1.876 -5.130 1.00 0.00 H new ATOM 77 N CYS A 6 1.409 3.245 -7.889 1.00 0.00 N ATOM 78 CA CYS A 6 1.951 2.337 -8.909 1.00 0.00 C ATOM 79 C CYS A 6 2.327 3.026 -10.214 1.00 0.00 C ATOM 80 O CYS A 6 3.127 2.464 -10.952 1.00 0.00 O ATOM 81 CB CYS A 6 0.999 1.180 -9.186 1.00 0.00 C ATOM 82 SG CYS A 6 0.672 0.140 -7.741 1.00 0.00 S ATOM 0 H CYS A 6 0.395 3.192 -7.794 1.00 0.00 H new ATOM 0 HA CYS A 6 2.877 1.951 -8.482 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.055 1.579 -9.556 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.416 0.561 -9.980 1.00 0.00 H new ATOM 87 N CYS A 7 1.799 4.213 -10.518 1.00 0.00 N ATOM 88 CA CYS A 7 2.191 4.957 -11.712 1.00 0.00 C ATOM 89 C CYS A 7 3.374 5.911 -11.439 1.00 0.00 C ATOM 90 O CYS A 7 4.221 6.107 -12.315 1.00 0.00 O ATOM 91 CB CYS A 7 0.950 5.665 -12.276 1.00 0.00 C ATOM 92 SG CYS A 7 1.281 6.617 -13.782 1.00 0.00 S ATOM 0 H CYS A 7 1.094 4.681 -9.948 1.00 0.00 H new ATOM 0 HA CYS A 7 2.566 4.269 -12.470 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.182 4.921 -12.488 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.546 6.333 -11.515 1.00 0.00 H new ATOM 97 N THR A 8 3.479 6.467 -10.222 1.00 0.00 N ATOM 98 CA THR A 8 4.582 7.374 -9.821 1.00 0.00 C ATOM 99 C THR A 8 5.790 6.644 -9.239 1.00 0.00 C ATOM 100 O THR A 8 6.929 7.089 -9.410 1.00 0.00 O ATOM 101 CB THR A 8 4.123 8.424 -8.797 1.00 0.00 C ATOM 102 OG1 THR A 8 3.783 7.831 -7.564 1.00 0.00 O ATOM 103 CG2 THR A 8 2.936 9.226 -9.313 1.00 0.00 C ATOM 0 H THR A 8 2.800 6.303 -9.479 1.00 0.00 H new ATOM 0 HA THR A 8 4.882 7.860 -10.750 1.00 0.00 H new ATOM 0 HB THR A 8 4.966 9.098 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.808 7.820 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.638 9.959 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.217 9.741 -10.232 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.102 8.553 -9.514 1.00 0.00 H new ATOM 111 N SER A 9 5.550 5.510 -8.576 1.00 0.00 N ATOM 112 CA SER A 9 6.561 4.611 -8.031 1.00 0.00 C ATOM 113 C SER A 9 6.241 3.154 -8.398 1.00 0.00 C ATOM 114 O SER A 9 5.421 2.871 -9.268 1.00 0.00 O ATOM 115 CB SER A 9 6.725 4.853 -6.516 1.00 0.00 C ATOM 116 OG SER A 9 7.823 4.148 -5.964 1.00 0.00 O ATOM 0 H SER A 9 4.601 5.182 -8.398 1.00 0.00 H new ATOM 0 HA SER A 9 7.530 4.825 -8.481 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.856 5.920 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.811 4.552 -6.003 1.00 0.00 H new ATOM 0 HG SER A 9 7.884 4.337 -5.004 1.00 0.00 H new ATOM 122 N ILE A 10 6.947 2.222 -7.780 1.00 0.00 N ATOM 123 CA ILE A 10 7.007 0.799 -8.112 1.00 0.00 C ATOM 124 C ILE A 10 6.000 -0.065 -7.338 1.00 0.00 C ATOM 125 O ILE A 10 5.737 0.148 -6.152 1.00 0.00 O ATOM 126 CB ILE A 10 8.466 0.310 -7.957 1.00 0.00 C ATOM 127 CG1 ILE A 10 9.026 0.638 -6.547 1.00 0.00 C ATOM 128 CG2 ILE A 10 9.310 0.925 -9.088 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.517 0.375 -6.357 1.00 0.00 C ATOM 0 H ILE A 10 7.535 2.450 -6.978 1.00 0.00 H new ATOM 0 HA ILE A 10 6.699 0.681 -9.151 1.00 0.00 H new ATOM 0 HB ILE A 10 8.506 -0.776 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.829 1.688 -6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.475 0.053 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.343 0.590 -8.994 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.912 0.608 -10.052 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.273 2.012 -9.020 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.806 0.637 -5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.726 -0.680 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.086 0.980 -7.063 1.00 0.00 H new ATOM 141 N CYS A 11 5.461 -1.072 -8.033 1.00 0.00 N ATOM 142 CA CYS A 11 4.505 -2.058 -7.524 1.00 0.00 C ATOM 143 C CYS A 11 4.759 -3.476 -8.073 1.00 0.00 C ATOM 144 O CYS A 11 5.483 -3.662 -9.055 1.00 0.00 O ATOM 145 CB CYS A 11 3.090 -1.591 -7.872 1.00 0.00 C ATOM 146 SG CYS A 11 2.488 -0.192 -6.907 1.00 0.00 S ATOM 0 H CYS A 11 5.692 -1.228 -9.014 1.00 0.00 H new ATOM 0 HA CYS A 11 4.630 -2.126 -6.443 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.062 -1.323 -8.928 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.404 -2.428 -7.737 1.00 0.00 H new ATOM 151 N SER A 12 4.143 -4.465 -7.422 1.00 0.00 N ATOM 152 CA SER A 12 4.209 -5.918 -7.681 1.00 0.00 C ATOM 153 C SER A 12 2.970 -6.607 -7.088 1.00 0.00 C ATOM 154 O SER A 12 2.058 -5.927 -6.623 1.00 0.00 O ATOM 155 CB SER A 12 5.503 -6.475 -7.073 1.00 0.00 C ATOM 156 OG SER A 12 5.556 -6.214 -5.683 1.00 0.00 O ATOM 0 H SER A 12 3.532 -4.260 -6.632 1.00 0.00 H new ATOM 0 HA SER A 12 4.218 -6.111 -8.754 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.560 -7.549 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.365 -6.025 -7.566 1.00 0.00 H new ATOM 0 HG SER A 12 6.387 -6.578 -5.313 1.00 0.00 H new ATOM 162 N LEU A 13 2.884 -7.945 -7.074 1.00 0.00 N ATOM 163 CA LEU A 13 1.724 -8.690 -6.536 1.00 0.00 C ATOM 164 C LEU A 13 1.394 -8.312 -5.084 1.00 0.00 C ATOM 165 O LEU A 13 0.233 -8.142 -4.723 1.00 0.00 O ATOM 166 CB LEU A 13 1.877 -10.228 -6.659 1.00 0.00 C ATOM 167 CG LEU A 13 3.138 -10.822 -7.310 1.00 0.00 C ATOM 168 CD1 LEU A 13 4.339 -10.753 -6.362 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.904 -12.296 -7.643 1.00 0.00 C ATOM 0 H LEU A 13 3.620 -8.550 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 13 0.887 -8.386 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.804 -10.643 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.018 -10.596 -7.219 1.00 0.00 H new ATOM 0 HG LEU A 13 3.344 -10.241 -8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.214 -11.181 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.539 -9.713 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.119 -11.316 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.800 -12.712 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.679 -12.844 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.066 -12.384 -8.335 1.00 0.00 H new ATOM 181 N TYR A 14 2.438 -8.081 -4.294 1.00 0.00 N ATOM 182 CA TYR A 14 2.422 -7.490 -2.953 1.00 0.00 C ATOM 183 C TYR A 14 1.555 -6.210 -2.849 1.00 0.00 C ATOM 184 O TYR A 14 0.972 -5.948 -1.794 1.00 0.00 O ATOM 185 CB TYR A 14 3.900 -7.247 -2.622 1.00 0.00 C ATOM 186 CG TYR A 14 4.170 -6.141 -1.636 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.806 -4.968 -2.076 1.00 0.00 C ATOM 188 CD2 TYR A 14 3.741 -6.277 -0.309 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.016 -3.912 -1.171 1.00 0.00 C ATOM 190 CE2 TYR A 14 3.932 -5.217 0.592 1.00 0.00 C ATOM 191 CZ TYR A 14 4.573 -4.031 0.169 1.00 0.00 C ATOM 192 OH TYR A 14 4.749 -3.008 1.047 1.00 0.00 O ATOM 0 H TYR A 14 3.385 -8.317 -4.591 1.00 0.00 H new ATOM 0 HA TYR A 14 1.948 -8.154 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.323 -8.172 -2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.429 -7.022 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.131 -4.878 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.267 -7.190 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.515 -3.011 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.588 -5.309 1.612 1.00 0.00 H new ATOM 0 HH TYR A 14 4.385 -3.261 1.921 1.00 0.00 H new ATOM 202 N GLN A 15 1.407 -5.448 -3.937 1.00 0.00 N ATOM 203 CA GLN A 15 0.556 -4.256 -4.007 1.00 0.00 C ATOM 204 C GLN A 15 -0.745 -4.519 -4.787 1.00 0.00 C ATOM 205 O GLN A 15 -1.828 -4.194 -4.305 1.00 0.00 O ATOM 206 CB GLN A 15 1.361 -3.095 -4.606 1.00 0.00 C ATOM 207 CG GLN A 15 2.619 -2.780 -3.774 1.00 0.00 C ATOM 208 CD GLN A 15 2.702 -1.321 -3.348 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.797 -0.768 -2.738 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.796 -0.645 -3.604 1.00 0.00 N ATOM 0 H GLN A 15 1.887 -5.648 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 15 0.247 -3.986 -2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.653 -3.344 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.731 -2.207 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.628 -3.413 -2.886 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.505 -3.034 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.562 -1.088 -4.111 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.881 0.324 -3.296 1.00 0.00 H new ATOM 219 N LEU A 16 -0.658 -5.139 -5.966 1.00 0.00 N ATOM 220 CA LEU A 16 -1.766 -5.331 -6.910 1.00 0.00 C ATOM 221 C LEU A 16 -2.797 -6.373 -6.459 1.00 0.00 C ATOM 222 O LEU A 16 -3.952 -6.291 -6.871 1.00 0.00 O ATOM 223 CB LEU A 16 -1.181 -5.783 -8.250 1.00 0.00 C ATOM 224 CG LEU A 16 -0.570 -4.750 -9.195 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.657 -3.954 -9.891 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.347 -3.731 -8.539 1.00 0.00 C ATOM 0 H LEU A 16 0.218 -5.537 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.291 -4.378 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.411 -6.524 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.974 -6.295 -8.796 1.00 0.00 H new ATOM 0 HG LEU A 16 0.026 -5.352 -9.881 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.202 -3.224 -10.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.290 -4.629 -10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.262 -3.437 -9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.728 -3.044 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.210 -3.171 -7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.182 -4.246 -8.063 1.00 0.00 H new ATOM 238 N GLU A 17 -2.442 -7.353 -5.621 1.00 0.00 N ATOM 239 CA GLU A 17 -3.390 -8.409 -5.211 1.00 0.00 C ATOM 240 C GLU A 17 -4.456 -7.878 -4.233 1.00 0.00 C ATOM 241 O GLU A 17 -5.432 -8.555 -3.907 1.00 0.00 O ATOM 242 CB GLU A 17 -2.642 -9.657 -4.711 1.00 0.00 C ATOM 243 CG GLU A 17 -3.423 -10.944 -5.029 1.00 0.00 C ATOM 244 CD GLU A 17 -2.851 -12.224 -4.382 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.774 -12.195 -3.740 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.498 -13.292 -4.535 1.00 0.00 O ATOM 0 H GLU A 17 -1.512 -7.442 -5.212 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.951 -8.729 -6.089 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.657 -9.703 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.484 -9.582 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.454 -10.817 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.447 -11.080 -6.110 1.00 0.00 H new ATOM 253 N ASN A 18 -4.303 -6.613 -3.831 1.00 0.00 N ATOM 254 CA ASN A 18 -5.309 -5.831 -3.117 1.00 0.00 C ATOM 255 C ASN A 18 -6.458 -5.381 -4.036 1.00 0.00 C ATOM 256 O ASN A 18 -7.522 -5.017 -3.523 1.00 0.00 O ATOM 257 CB ASN A 18 -4.643 -4.600 -2.483 1.00 0.00 C ATOM 258 CG ASN A 18 -3.692 -4.965 -1.355 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.096 -5.348 -0.265 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.405 -4.877 -1.588 1.00 0.00 N ATOM 0 H ASN A 18 -3.444 -6.090 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.739 -6.470 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.097 -4.052 -3.250 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.414 -3.931 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.737 -5.128 -0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.072 -4.557 -2.498 1.00 0.00 H new ATOM 267 N TYR A 19 -6.281 -5.394 -5.366 1.00 0.00 N ATOM 268 CA TYR A 19 -7.361 -5.001 -6.278 1.00 0.00 C ATOM 269 C TYR A 19 -8.334 -6.142 -6.561 1.00 0.00 C ATOM 270 O TYR A 19 -9.490 -5.888 -6.902 1.00 0.00 O ATOM 271 CB TYR A 19 -6.770 -4.619 -7.620 1.00 0.00 C ATOM 272 CG TYR A 19 -6.278 -3.222 -7.835 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.967 -3.087 -8.292 1.00 0.00 C ATOM 274 CD2 TYR A 19 -7.207 -2.182 -7.987 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.649 -2.041 -9.165 1.00 0.00 C ATOM 276 CE2 TYR A 19 -6.863 -1.061 -8.769 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.616 -1.044 -9.440 1.00 0.00 C ATOM 278 OH TYR A 19 -5.350 -0.045 -10.322 1.00 0.00 O ATOM 0 H TYR A 19 -5.413 -5.668 -5.827 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.887 -4.178 -5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.936 -5.293 -7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.526 -4.820 -8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.205 -3.783 -7.975 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.174 -2.240 -7.510 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.673 -1.994 -9.626 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.542 -0.225 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.127 0.548 -10.388 1.00 0.00 H new ATOM 288 N CYS A 20 -7.847 -7.385 -6.508 1.00 0.00 N ATOM 289 CA CYS A 20 -8.640 -8.542 -6.879 1.00 0.00 C ATOM 290 C CYS A 20 -9.932 -8.665 -6.058 1.00 0.00 C ATOM 291 O CYS A 20 -9.988 -8.271 -4.889 1.00 0.00 O ATOM 292 CB CYS A 20 -7.856 -9.846 -6.747 1.00 0.00 C ATOM 293 SG CYS A 20 -6.145 -9.879 -7.322 1.00 0.00 S ATOM 0 H CYS A 20 -6.898 -7.608 -6.208 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.901 -8.379 -7.925 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.858 -10.130 -5.695 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.403 -10.619 -7.287 1.00 0.00 H new ATOM 298 N ASN A 21 -10.959 -9.261 -6.656 1.00 0.00 N ATOM 299 CA ASN A 21 -12.261 -9.399 -6.023 1.00 0.00 C ATOM 300 C ASN A 21 -12.310 -10.627 -5.089 1.00 0.00 C ATOM 301 O ASN A 21 -11.769 -11.693 -5.414 1.00 0.00 O ATOM 302 CB ASN A 21 -13.364 -9.446 -7.097 1.00 0.00 C ATOM 303 CG ASN A 21 -13.553 -8.152 -7.872 1.00 0.00 C ATOM 304 OD1 ASN A 21 -13.036 -7.094 -7.546 1.00 0.00 O ATOM 305 ND2 ASN A 21 -14.314 -8.191 -8.943 1.00 0.00 N ATOM 0 H ASN A 21 -10.909 -9.661 -7.593 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.437 -8.527 -5.394 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.132 -10.245 -7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.307 -9.708 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.467 -7.344 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.752 -9.068 -9.226 1.00 0.00 H new ATOM 312 N SER A 22 -13.006 -10.473 -3.955 1.00 0.00 N ATOM 313 CA SER A 22 -13.211 -11.497 -2.907 1.00 0.00 C ATOM 314 C SER A 22 -14.685 -11.609 -2.492 1.00 0.00 C ATOM 315 O SER A 22 -15.307 -10.565 -2.189 1.00 0.00 O ATOM 316 CB SER A 22 -12.354 -11.189 -1.676 1.00 0.00 C ATOM 317 OG SER A 22 -10.979 -11.258 -2.015 1.00 0.00 O ATOM 318 OXT SER A 22 -15.211 -12.744 -2.470 1.00 0.00 O ATOM 0 H SER A 22 -13.466 -9.591 -3.727 1.00 0.00 H new ATOM 0 HA SER A 22 -12.906 -12.453 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.594 -10.197 -1.294 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.577 -11.899 -0.880 1.00 0.00 H new ATOM 0 HG SER A 22 -10.437 -11.058 -1.224 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.370 -12.161 -9.389 1.00 0.00 N ATOM 326 CA PHE B 1 8.391 -11.181 -9.918 1.00 0.00 C ATOM 327 C PHE B 1 9.026 -9.789 -10.011 1.00 0.00 C ATOM 328 O PHE B 1 9.941 -9.466 -9.251 1.00 0.00 O ATOM 329 CB PHE B 1 7.097 -11.166 -9.077 1.00 0.00 C ATOM 330 CG PHE B 1 5.885 -10.584 -9.784 1.00 0.00 C ATOM 331 CD1 PHE B 1 5.631 -9.197 -9.752 1.00 0.00 C ATOM 332 CD2 PHE B 1 4.994 -11.433 -10.468 1.00 0.00 C ATOM 333 CE1 PHE B 1 4.505 -8.666 -10.410 1.00 0.00 C ATOM 334 CE2 PHE B 1 3.848 -10.910 -11.094 1.00 0.00 C ATOM 335 CZ PHE B 1 3.607 -9.524 -11.068 1.00 0.00 C ATOM 0 H1 PHE B 1 8.875 -12.868 -8.810 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.848 -12.636 -10.181 1.00 0.00 H new ATOM 0 H3 PHE B 1 10.075 -11.667 -8.805 1.00 0.00 H new ATOM 0 HA PHE B 1 8.108 -11.489 -10.925 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.867 -12.187 -8.772 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.278 -10.594 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.303 -8.539 -9.221 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.192 -12.494 -10.512 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.331 -7.600 -10.409 1.00 0.00 H new ATOM 0 HE2 PHE B 1 3.155 -11.571 -11.593 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.732 -9.119 -11.554 1.00 0.00 H new ATOM 347 N VAL B 2 8.568 -8.963 -10.955 1.00 0.00 N ATOM 348 CA VAL B 2 9.150 -7.639 -11.261 1.00 0.00 C ATOM 349 C VAL B 2 8.497 -6.493 -10.484 1.00 0.00 C ATOM 350 O VAL B 2 7.271 -6.390 -10.424 1.00 0.00 O ATOM 351 CB VAL B 2 9.129 -7.350 -12.779 1.00 0.00 C ATOM 352 CG1 VAL B 2 10.128 -8.250 -13.509 1.00 0.00 C ATOM 353 CG2 VAL B 2 7.753 -7.528 -13.439 1.00 0.00 C ATOM 0 H VAL B 2 7.767 -9.193 -11.543 1.00 0.00 H new ATOM 0 HA VAL B 2 10.187 -7.689 -10.928 1.00 0.00 H new ATOM 0 HB VAL B 2 9.399 -6.298 -12.868 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.100 -8.033 -14.577 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.132 -8.064 -13.127 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.865 -9.295 -13.344 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.828 -7.305 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.416 -8.556 -13.306 1.00 0.00 H new ATOM 0 HG23 VAL B 2 7.037 -6.849 -12.976 1.00 0.00 H new ATOM 363 N LYS B 3 9.318 -5.600 -9.916 1.00 0.00 N ATOM 364 CA LYS B 3 8.891 -4.316 -9.335 1.00 0.00 C ATOM 365 C LYS B 3 8.986 -3.228 -10.405 1.00 0.00 C ATOM 366 O LYS B 3 10.064 -2.994 -10.956 1.00 0.00 O ATOM 367 CB LYS B 3 9.753 -3.977 -8.110 1.00 0.00 C ATOM 368 CG LYS B 3 9.604 -5.027 -6.996 1.00 0.00 C ATOM 369 CD LYS B 3 10.487 -4.713 -5.782 1.00 0.00 C ATOM 370 CE LYS B 3 11.986 -4.836 -6.091 1.00 0.00 C ATOM 371 NZ LYS B 3 12.816 -4.605 -4.879 1.00 0.00 N ATOM 0 H LYS B 3 10.324 -5.753 -9.845 1.00 0.00 H new ATOM 0 HA LYS B 3 7.856 -4.384 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.799 -3.911 -8.409 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.469 -2.997 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.561 -5.076 -6.682 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.865 -6.010 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS B 3 10.274 -3.702 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS B 3 10.232 -5.390 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.195 -5.828 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS B 3 12.259 -4.116 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 13.822 -4.696 -5.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 12.634 -3.649 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 12.572 -5.308 -4.152 1.00 0.00 H new ATOM 385 N GLN B 4 7.863 -2.583 -10.718 1.00 0.00 N ATOM 386 CA GLN B 4 7.739 -1.681 -11.874 1.00 0.00 C ATOM 387 C GLN B 4 6.686 -0.582 -11.685 1.00 0.00 C ATOM 388 O GLN B 4 5.713 -0.767 -10.955 1.00 0.00 O ATOM 389 CB GLN B 4 7.446 -2.493 -13.153 1.00 0.00 C ATOM 390 CG GLN B 4 6.340 -3.551 -12.999 1.00 0.00 C ATOM 391 CD GLN B 4 6.046 -4.323 -14.287 1.00 0.00 C ATOM 392 OE1 GLN B 4 6.706 -4.202 -15.310 1.00 0.00 O ATOM 393 NE2 GLN B 4 5.042 -5.171 -14.274 1.00 0.00 N ATOM 0 H GLN B 4 7.004 -2.669 -10.175 1.00 0.00 H new ATOM 0 HA GLN B 4 8.697 -1.170 -11.971 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.163 -1.804 -13.949 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.363 -2.989 -13.471 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.630 -4.257 -12.221 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.426 -3.062 -12.662 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.481 -5.285 -13.430 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.824 -5.716 -15.108 1.00 0.00 H new ATOM 402 N HIS B 5 6.880 0.551 -12.370 1.00 0.00 N ATOM 403 CA HIS B 5 5.905 1.644 -12.471 1.00 0.00 C ATOM 404 C HIS B 5 4.984 1.471 -13.696 1.00 0.00 C ATOM 405 O HIS B 5 5.429 1.061 -14.768 1.00 0.00 O ATOM 406 CB HIS B 5 6.609 3.008 -12.445 1.00 0.00 C ATOM 407 CG HIS B 5 7.782 3.152 -13.388 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.088 3.405 -13.029 1.00 0.00 N ATOM 409 CD2 HIS B 5 7.760 3.048 -14.754 1.00 0.00 C ATOM 410 CE1 HIS B 5 9.834 3.450 -14.146 1.00 0.00 C ATOM 411 NE2 HIS B 5 9.068 3.232 -15.230 1.00 0.00 N ATOM 0 H HIS B 5 7.742 0.738 -12.883 1.00 0.00 H new ATOM 0 HA HIS B 5 5.256 1.605 -11.596 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.877 3.780 -12.683 1.00 0.00 H new ATOM 0 HB3 HIS B 5 6.956 3.199 -11.429 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.887 2.857 -15.360 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.898 3.635 -14.170 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.376 3.206 -16.202 1.00 0.00 H new ATOM 419 N LEU B 6 3.688 1.738 -13.523 1.00 0.00 N ATOM 420 CA LEU B 6 2.598 1.423 -14.448 1.00 0.00 C ATOM 421 C LEU B 6 1.400 2.364 -14.248 1.00 0.00 C ATOM 422 O LEU B 6 0.936 2.557 -13.128 1.00 0.00 O ATOM 423 CB LEU B 6 2.099 -0.001 -14.162 1.00 0.00 C ATOM 424 CG LEU B 6 3.146 -1.104 -14.105 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.542 -2.334 -13.433 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.707 -1.549 -15.454 1.00 0.00 C ATOM 0 H LEU B 6 3.351 2.208 -12.683 1.00 0.00 H new ATOM 0 HA LEU B 6 2.983 1.530 -15.462 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.568 0.011 -13.210 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.371 -0.265 -14.929 1.00 0.00 H new ATOM 0 HG LEU B 6 3.977 -0.672 -13.548 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.288 -3.128 -13.389 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.225 -2.078 -12.422 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.681 -2.676 -14.007 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.444 -2.337 -15.299 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.897 -1.927 -16.078 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.181 -0.701 -15.948 1.00 0.00 H new ATOM 438 N CYS B 7 0.818 2.853 -15.338 1.00 0.00 N ATOM 439 CA CYS B 7 -0.392 3.683 -15.337 1.00 0.00 C ATOM 440 C CYS B 7 -1.522 2.970 -16.095 1.00 0.00 C ATOM 441 O CYS B 7 -1.291 2.465 -17.197 1.00 0.00 O ATOM 442 CB CYS B 7 -0.095 5.054 -15.964 1.00 0.00 C ATOM 443 SG CYS B 7 -0.419 6.478 -14.889 1.00 0.00 S ATOM 0 H CYS B 7 1.182 2.681 -16.275 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.714 3.840 -14.308 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.952 5.078 -16.268 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.692 5.159 -16.870 1.00 0.00 H new ATOM 448 N GLY B 8 -2.732 2.935 -15.527 1.00 0.00 N ATOM 449 CA GLY B 8 -3.952 2.493 -16.221 1.00 0.00 C ATOM 450 C GLY B 8 -3.825 1.087 -16.821 1.00 0.00 C ATOM 451 O GLY B 8 -3.755 0.102 -16.092 1.00 0.00 O ATOM 0 H GLY B 8 -2.897 3.216 -14.560 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.787 2.509 -15.521 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.188 3.201 -17.015 1.00 0.00 H new ATOM 455 N SER B 9 -3.747 0.994 -18.151 1.00 0.00 N ATOM 456 CA SER B 9 -3.609 -0.270 -18.895 1.00 0.00 C ATOM 457 C SER B 9 -2.359 -1.082 -18.523 1.00 0.00 C ATOM 458 O SER B 9 -2.451 -2.297 -18.343 1.00 0.00 O ATOM 459 CB SER B 9 -3.566 0.060 -20.389 1.00 0.00 C ATOM 460 OG SER B 9 -3.636 -1.113 -21.179 1.00 0.00 O ATOM 0 H SER B 9 -3.778 1.812 -18.759 1.00 0.00 H new ATOM 0 HA SER B 9 -4.464 -0.893 -18.633 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.396 0.721 -20.641 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.647 0.600 -20.618 1.00 0.00 H new ATOM 0 HG SER B 9 -3.608 -0.870 -22.128 1.00 0.00 H new ATOM 466 N HIS B 10 -1.207 -0.431 -18.315 1.00 0.00 N ATOM 467 CA HIS B 10 -0.001 -1.106 -17.808 1.00 0.00 C ATOM 468 C HIS B 10 -0.216 -1.641 -16.395 1.00 0.00 C ATOM 469 O HIS B 10 0.264 -2.715 -16.043 1.00 0.00 O ATOM 470 CB HIS B 10 1.170 -0.123 -17.740 1.00 0.00 C ATOM 471 CG HIS B 10 1.589 0.418 -19.074 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.376 -0.187 -20.028 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.232 1.642 -19.560 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.488 0.658 -21.070 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.803 1.794 -20.831 1.00 0.00 N ATOM 0 H HIS B 10 -1.083 0.566 -18.490 1.00 0.00 H new ATOM 0 HA HIS B 10 0.212 -1.927 -18.493 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.896 0.709 -17.092 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.022 -0.620 -17.277 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.615 2.369 -19.052 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.048 0.454 -21.971 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.718 2.601 -21.450 1.00 0.00 H new ATOM 483 N LEU B 11 -0.938 -0.873 -15.572 1.00 0.00 N ATOM 484 CA LEU B 11 -1.164 -1.194 -14.170 1.00 0.00 C ATOM 485 C LEU B 11 -2.099 -2.405 -14.096 1.00 0.00 C ATOM 486 O LEU B 11 -1.815 -3.359 -13.378 1.00 0.00 O ATOM 487 CB LEU B 11 -1.702 0.068 -13.477 1.00 0.00 C ATOM 488 CG LEU B 11 -1.269 0.269 -12.015 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.177 1.315 -11.404 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.374 -0.992 -11.178 1.00 0.00 C ATOM 0 H LEU B 11 -1.383 -0.005 -15.869 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.252 -1.478 -13.645 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.385 0.938 -14.052 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.791 0.042 -13.513 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.221 0.568 -12.020 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.894 1.480 -10.364 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.081 2.248 -11.959 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.210 0.971 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.053 -0.779 -10.158 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.408 -1.338 -11.169 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.736 -1.766 -11.605 1.00 0.00 H new ATOM 502 N VAL B 12 -3.123 -2.430 -14.954 1.00 0.00 N ATOM 503 CA VAL B 12 -3.965 -3.609 -15.192 1.00 0.00 C ATOM 504 C VAL B 12 -3.130 -4.762 -15.751 1.00 0.00 C ATOM 505 O VAL B 12 -3.406 -5.894 -15.407 1.00 0.00 O ATOM 506 CB VAL B 12 -5.165 -3.299 -16.117 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.932 -4.545 -16.572 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.154 -2.391 -15.375 1.00 0.00 C ATOM 0 H VAL B 12 -3.395 -1.621 -15.512 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.378 -3.909 -14.229 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.748 -2.822 -17.004 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.759 -4.248 -17.217 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.261 -5.204 -17.122 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.323 -5.070 -15.700 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.002 -2.170 -16.023 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.507 -2.896 -14.476 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.657 -1.461 -15.098 1.00 0.00 H new ATOM 518 N GLU B 13 -2.066 -4.543 -16.521 1.00 0.00 N ATOM 519 CA GLU B 13 -1.220 -5.644 -17.012 1.00 0.00 C ATOM 520 C GLU B 13 -0.480 -6.362 -15.868 1.00 0.00 C ATOM 521 O GLU B 13 -0.171 -7.548 -15.989 1.00 0.00 O ATOM 522 CB GLU B 13 -0.260 -5.144 -18.106 1.00 0.00 C ATOM 523 CG GLU B 13 0.296 -6.278 -18.978 1.00 0.00 C ATOM 524 CD GLU B 13 1.114 -5.718 -20.160 1.00 0.00 C ATOM 525 OE1 GLU B 13 2.311 -5.385 -19.974 1.00 0.00 O ATOM 526 OE2 GLU B 13 0.566 -5.620 -21.286 1.00 0.00 O ATOM 0 H GLU B 13 -1.764 -3.616 -16.822 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.873 -6.391 -17.462 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.782 -4.428 -18.740 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.569 -4.612 -17.639 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.925 -6.931 -18.373 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.525 -6.887 -19.356 1.00 0.00 H new ATOM 533 N ALA B 14 -0.263 -5.687 -14.728 1.00 0.00 N ATOM 534 CA ALA B 14 0.182 -6.331 -13.497 1.00 0.00 C ATOM 535 C ALA B 14 -1.017 -6.907 -12.743 1.00 0.00 C ATOM 536 O ALA B 14 -1.042 -8.090 -12.436 1.00 0.00 O ATOM 537 CB ALA B 14 0.973 -5.330 -12.663 1.00 0.00 C ATOM 0 H ALA B 14 -0.393 -4.679 -14.641 1.00 0.00 H new ATOM 0 HA ALA B 14 0.843 -7.167 -13.725 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.307 -5.808 -11.742 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.839 -4.988 -13.230 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.339 -4.477 -12.420 1.00 0.00 H new ATOM 543 N LEU B 15 -2.065 -6.120 -12.509 1.00 0.00 N ATOM 544 CA LEU B 15 -3.297 -6.507 -11.839 1.00 0.00 C ATOM 545 C LEU B 15 -3.898 -7.820 -12.368 1.00 0.00 C ATOM 546 O LEU B 15 -4.159 -8.754 -11.622 1.00 0.00 O ATOM 547 CB LEU B 15 -4.264 -5.344 -12.091 1.00 0.00 C ATOM 548 CG LEU B 15 -5.263 -5.088 -10.979 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.196 -3.981 -11.444 1.00 0.00 C ATOM 550 CD2 LEU B 15 -5.994 -6.341 -10.595 1.00 0.00 C ATOM 0 H LEU B 15 -2.074 -5.142 -12.799 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.107 -6.693 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.682 -4.436 -12.252 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.812 -5.540 -13.013 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.751 -4.768 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.929 -3.772 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.618 -3.080 -11.649 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.711 -4.296 -12.351 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.701 -6.119 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.533 -6.727 -11.460 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.279 -7.088 -10.250 1.00 0.00 H new ATOM 562 N TYR B 16 -4.044 -7.912 -13.681 1.00 0.00 N ATOM 563 CA TYR B 16 -4.619 -9.031 -14.435 1.00 0.00 C ATOM 564 C TYR B 16 -3.773 -10.300 -14.271 1.00 0.00 C ATOM 565 O TYR B 16 -4.311 -11.405 -14.230 1.00 0.00 O ATOM 566 CB TYR B 16 -4.709 -8.551 -15.900 1.00 0.00 C ATOM 567 CG TYR B 16 -5.594 -9.317 -16.862 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.381 -10.687 -17.120 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.599 -8.619 -17.566 1.00 0.00 C ATOM 570 CE1 TYR B 16 -6.222 -11.383 -18.006 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.435 -9.317 -18.462 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.264 -10.701 -18.676 1.00 0.00 C ATOM 573 OH TYR B 16 -8.090 -11.361 -19.533 1.00 0.00 O ATOM 0 H TYR B 16 -3.745 -7.156 -14.297 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.608 -9.306 -14.069 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.051 -7.516 -15.889 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.699 -8.549 -16.310 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.567 -11.205 -16.634 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.727 -7.557 -17.419 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.072 -12.439 -18.175 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.214 -8.787 -18.990 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.748 -10.735 -19.901 1.00 0.00 H new ATOM 583 N LEU B 17 -2.461 -10.144 -14.091 1.00 0.00 N ATOM 584 CA LEU B 17 -1.503 -11.230 -13.886 1.00 0.00 C ATOM 585 C LEU B 17 -1.504 -11.695 -12.426 1.00 0.00 C ATOM 586 O LEU B 17 -1.511 -12.887 -12.125 1.00 0.00 O ATOM 587 CB LEU B 17 -0.128 -10.667 -14.275 1.00 0.00 C ATOM 588 CG LEU B 17 1.041 -11.640 -14.080 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.891 -12.939 -14.875 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.346 -10.968 -14.498 1.00 0.00 C ATOM 0 H LEU B 17 -2.021 -9.224 -14.084 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.762 -12.100 -14.490 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.158 -10.362 -15.321 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.062 -9.770 -13.686 1.00 0.00 H new ATOM 0 HG LEU B 17 1.047 -11.900 -13.021 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.753 -13.580 -14.690 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.018 -13.454 -14.563 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.831 -12.710 -15.939 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.174 -11.663 -14.358 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.287 -10.680 -15.548 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.510 -10.080 -13.887 1.00 0.00 H new ATOM 602 N VAL B 18 -1.537 -10.710 -11.532 1.00 0.00 N ATOM 603 CA VAL B 18 -1.557 -10.824 -10.076 1.00 0.00 C ATOM 604 C VAL B 18 -2.842 -11.496 -9.602 1.00 0.00 C ATOM 605 O VAL B 18 -2.820 -12.373 -8.740 1.00 0.00 O ATOM 606 CB VAL B 18 -1.384 -9.397 -9.499 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.676 -9.404 -8.009 1.00 0.00 C ATOM 608 CG2 VAL B 18 0.089 -9.000 -9.728 1.00 0.00 C ATOM 0 H VAL B 18 -1.552 -9.735 -11.830 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.744 -11.457 -9.720 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.066 -8.697 -9.981 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.553 -8.397 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.700 -9.738 -7.840 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.986 -10.081 -7.506 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.261 -7.997 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.740 -9.707 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.308 -9.015 -10.796 1.00 0.00 H new ATOM 618 N CYS B 19 -3.956 -11.145 -10.234 1.00 0.00 N ATOM 619 CA CYS B 19 -5.258 -11.766 -9.997 1.00 0.00 C ATOM 620 C CYS B 19 -5.430 -13.045 -10.823 1.00 0.00 C ATOM 621 O CYS B 19 -6.199 -13.919 -10.434 1.00 0.00 O ATOM 622 CB CYS B 19 -6.361 -10.748 -10.279 1.00 0.00 C ATOM 623 SG CYS B 19 -6.284 -9.275 -9.240 1.00 0.00 S ATOM 0 H CYS B 19 -3.982 -10.408 -10.939 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.324 -12.069 -8.952 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.304 -10.446 -11.325 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.329 -11.229 -10.139 1.00 0.00 H new ATOM 628 N GLY B 20 -4.706 -13.177 -11.937 1.00 0.00 N ATOM 629 CA GLY B 20 -4.708 -14.368 -12.795 1.00 0.00 C ATOM 630 C GLY B 20 -6.115 -14.811 -13.225 1.00 0.00 C ATOM 631 O GLY B 20 -6.477 -15.981 -13.095 1.00 0.00 O ATOM 0 H GLY B 20 -4.086 -12.442 -12.277 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -4.111 -14.166 -13.685 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.223 -15.188 -12.266 1.00 0.00 H new ATOM 635 N GLU B 21 -6.925 -13.851 -13.681 1.00 0.00 N ATOM 636 CA GLU B 21 -8.334 -14.023 -14.082 1.00 0.00 C ATOM 637 C GLU B 21 -9.329 -14.399 -12.947 1.00 0.00 C ATOM 638 O GLU B 21 -10.483 -14.739 -13.222 1.00 0.00 O ATOM 639 CB GLU B 21 -8.422 -14.913 -15.344 1.00 0.00 C ATOM 640 CG GLU B 21 -9.554 -14.524 -16.305 1.00 0.00 C ATOM 641 CD GLU B 21 -9.569 -15.450 -17.537 1.00 0.00 C ATOM 642 OE1 GLU B 21 -10.302 -16.468 -17.537 1.00 0.00 O ATOM 643 OE2 GLU B 21 -8.854 -15.161 -18.527 1.00 0.00 O ATOM 0 H GLU B 21 -6.607 -12.888 -13.787 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.700 -13.031 -14.345 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.473 -14.863 -15.878 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -8.561 -15.949 -15.036 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.512 -14.583 -15.788 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.427 -13.489 -16.624 1.00 0.00 H new ATOM 650 N ARG B 22 -8.946 -14.278 -11.662 1.00 0.00 N ATOM 651 CA ARG B 22 -9.877 -14.376 -10.504 1.00 0.00 C ATOM 652 C ARG B 22 -10.886 -13.215 -10.432 1.00 0.00 C ATOM 653 O ARG B 22 -11.903 -13.324 -9.747 1.00 0.00 O ATOM 654 CB ARG B 22 -9.093 -14.460 -9.177 1.00 0.00 C ATOM 655 CG ARG B 22 -8.382 -15.810 -8.979 1.00 0.00 C ATOM 656 CD ARG B 22 -7.556 -15.842 -7.682 1.00 0.00 C ATOM 657 NE ARG B 22 -6.341 -15.014 -7.786 1.00 0.00 N ATOM 658 CZ ARG B 22 -5.553 -14.613 -6.803 1.00 0.00 C ATOM 659 NH1 ARG B 22 -5.779 -14.864 -5.547 1.00 0.00 N ATOM 660 NH2 ARG B 22 -4.473 -13.933 -7.023 1.00 0.00 N ATOM 0 H ARG B 22 -7.978 -14.108 -11.388 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.449 -15.291 -10.658 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.354 -13.659 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.778 -14.292 -8.346 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.122 -16.610 -8.957 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.729 -16.004 -9.830 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.168 -15.487 -6.853 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.276 -16.871 -7.454 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.078 -14.716 -8.725 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.604 -15.399 -5.274 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -5.132 -14.526 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.208 -13.691 -7.978 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.887 -13.639 -6.241 1.00 0.00 H new ATOM 674 N GLY B 23 -10.620 -12.119 -11.146 1.00 0.00 N ATOM 675 CA GLY B 23 -11.423 -10.892 -11.193 1.00 0.00 C ATOM 676 C GLY B 23 -10.931 -9.817 -10.219 1.00 0.00 C ATOM 677 O GLY B 23 -10.236 -10.108 -9.247 1.00 0.00 O ATOM 0 H GLY B 23 -9.793 -12.059 -11.740 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.405 -10.492 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.461 -11.134 -10.964 1.00 0.00 H new ATOM 681 N PHE B 24 -11.247 -8.560 -10.531 1.00 0.00 N ATOM 682 CA PHE B 24 -10.707 -7.350 -9.906 1.00 0.00 C ATOM 683 C PHE B 24 -11.492 -6.071 -10.249 1.00 0.00 C ATOM 684 O PHE B 24 -12.294 -6.032 -11.186 1.00 0.00 O ATOM 685 CB PHE B 24 -9.254 -7.181 -10.374 1.00 0.00 C ATOM 686 CG PHE B 24 -8.977 -7.187 -11.865 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.753 -5.976 -12.542 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.805 -8.405 -12.550 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.368 -5.972 -13.898 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.481 -8.405 -13.916 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.264 -7.189 -14.589 1.00 0.00 C ATOM 0 H PHE B 24 -11.922 -8.346 -11.265 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.783 -7.480 -8.826 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.881 -6.240 -9.970 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.664 -7.978 -9.922 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.877 -5.040 -12.018 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.922 -9.341 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.155 -5.040 -14.401 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.398 -9.340 -14.451 1.00 0.00 H new ATOM 0 HZ PHE B 24 -8.017 -7.192 -15.640 1.00 0.00 H new ATOM 701 N PHE B 25 -11.203 -5.015 -9.489 1.00 0.00 N ATOM 702 CA PHE B 25 -11.598 -3.623 -9.716 1.00 0.00 C ATOM 703 C PHE B 25 -10.360 -2.850 -10.212 1.00 0.00 C ATOM 704 O PHE B 25 -9.248 -3.220 -9.843 1.00 0.00 O ATOM 705 CB PHE B 25 -12.138 -3.075 -8.389 1.00 0.00 C ATOM 706 CG PHE B 25 -12.604 -1.633 -8.411 1.00 0.00 C ATOM 707 CD1 PHE B 25 -11.740 -0.603 -7.988 1.00 0.00 C ATOM 708 CD2 PHE B 25 -13.920 -1.328 -8.805 1.00 0.00 C ATOM 709 CE1 PHE B 25 -12.206 0.722 -7.933 1.00 0.00 C ATOM 710 CE2 PHE B 25 -14.384 -0.003 -8.746 1.00 0.00 C ATOM 711 CZ PHE B 25 -13.530 1.020 -8.299 1.00 0.00 C ATOM 0 H PHE B 25 -10.648 -5.116 -8.639 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.378 -3.524 -10.471 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -12.972 -3.701 -8.071 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -11.359 -3.174 -7.633 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.723 -0.831 -7.707 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.574 -2.113 -9.153 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.545 1.513 -7.609 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -15.396 0.229 -9.044 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.891 2.036 -8.237 1.00 0.00 H new ATOM 721 N TYR B 26 -10.505 -1.817 -11.050 1.00 0.00 N ATOM 722 CA TYR B 26 -9.352 -1.119 -11.662 1.00 0.00 C ATOM 723 C TYR B 26 -9.571 0.368 -12.002 1.00 0.00 C ATOM 724 O TYR B 26 -8.773 0.967 -12.726 1.00 0.00 O ATOM 725 CB TYR B 26 -8.875 -1.910 -12.892 1.00 0.00 C ATOM 726 CG TYR B 26 -9.936 -2.189 -13.938 1.00 0.00 C ATOM 727 CD1 TYR B 26 -10.147 -1.289 -14.998 1.00 0.00 C ATOM 728 CD2 TYR B 26 -10.710 -3.359 -13.837 1.00 0.00 C ATOM 729 CE1 TYR B 26 -11.147 -1.553 -15.953 1.00 0.00 C ATOM 730 CE2 TYR B 26 -11.719 -3.623 -14.782 1.00 0.00 C ATOM 731 CZ TYR B 26 -11.939 -2.722 -15.847 1.00 0.00 C ATOM 732 OH TYR B 26 -12.912 -2.985 -16.762 1.00 0.00 O ATOM 0 H TYR B 26 -11.412 -1.439 -11.325 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.579 -1.093 -10.894 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.061 -1.360 -13.363 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.463 -2.861 -12.554 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -9.543 -0.397 -15.079 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -10.530 -4.056 -13.032 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -11.310 -0.863 -16.768 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -12.324 -4.513 -14.693 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.355 -3.829 -16.535 1.00 0.00 H new ATOM 742 N THR B 27 -10.647 0.981 -11.507 1.00 0.00 N ATOM 743 CA THR B 27 -11.045 2.359 -11.848 1.00 0.00 C ATOM 744 C THR B 27 -9.979 3.394 -11.425 1.00 0.00 C ATOM 745 O THR B 27 -9.697 3.513 -10.228 1.00 0.00 O ATOM 746 CB THR B 27 -12.378 2.692 -11.165 1.00 0.00 C ATOM 747 OG1 THR B 27 -13.354 1.760 -11.584 1.00 0.00 O ATOM 748 CG2 THR B 27 -12.912 4.085 -11.512 1.00 0.00 C ATOM 0 H THR B 27 -11.281 0.532 -10.846 1.00 0.00 H new ATOM 0 HA THR B 27 -11.149 2.413 -12.932 1.00 0.00 H new ATOM 0 HB THR B 27 -12.189 2.656 -10.092 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.697 1.273 -10.806 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.856 4.252 -10.994 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.189 4.840 -11.201 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.071 4.156 -12.588 1.00 0.00 H new ATOM 756 N PRO B 28 -9.410 4.190 -12.358 1.00 0.00 N ATOM 757 CA PRO B 28 -8.361 5.171 -12.046 1.00 0.00 C ATOM 758 C PRO B 28 -8.900 6.547 -11.612 1.00 0.00 C ATOM 759 O PRO B 28 -8.140 7.377 -11.114 1.00 0.00 O ATOM 760 CB PRO B 28 -7.541 5.267 -13.337 1.00 0.00 C ATOM 761 CG PRO B 28 -8.600 5.092 -14.424 1.00 0.00 C ATOM 762 CD PRO B 28 -9.565 4.078 -13.807 1.00 0.00 C ATOM 0 HA PRO B 28 -7.773 4.850 -11.186 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -7.030 6.226 -13.421 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -6.776 4.492 -13.389 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -9.098 6.033 -14.657 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.167 4.722 -15.353 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -10.592 4.288 -14.105 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.335 3.068 -14.145 1.00 0.00 H new ATOM 770 N LYS B 29 -10.205 6.806 -11.797 1.00 0.00 N ATOM 771 CA LYS B 29 -10.849 8.119 -11.600 1.00 0.00 C ATOM 772 C LYS B 29 -10.725 8.667 -10.172 1.00 0.00 C ATOM 773 O LYS B 29 -10.558 9.877 -10.003 1.00 0.00 O ATOM 774 CB LYS B 29 -12.314 8.008 -12.073 1.00 0.00 C ATOM 775 CG LYS B 29 -13.083 9.343 -12.047 1.00 0.00 C ATOM 776 CD LYS B 29 -14.352 9.304 -12.920 1.00 0.00 C ATOM 777 CE LYS B 29 -15.413 8.273 -12.498 1.00 0.00 C ATOM 778 NZ LYS B 29 -16.223 8.721 -11.334 1.00 0.00 N ATOM 0 H LYS B 29 -10.863 6.086 -12.097 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.320 8.859 -12.201 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.328 7.612 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.835 7.288 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -13.359 9.581 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.430 10.143 -12.395 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.808 10.294 -12.912 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.058 9.097 -13.949 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.075 8.075 -13.341 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.921 7.332 -12.251 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.062 8.113 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.651 8.657 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.523 9.706 -11.479 1.00 0.00 H new ATOM 792 N THR B 30 -10.772 7.790 -9.162 1.00 0.00 N ATOM 793 CA THR B 30 -10.580 8.091 -7.718 1.00 0.00 C ATOM 794 C THR B 30 -11.505 9.207 -7.174 1.00 0.00 C ATOM 795 O THR B 30 -11.175 9.900 -6.209 1.00 0.00 O ATOM 796 CB THR B 30 -9.081 8.284 -7.382 1.00 0.00 C ATOM 797 OG1 THR B 30 -8.287 7.330 -8.064 1.00 0.00 O ATOM 798 CG2 THR B 30 -8.728 8.055 -5.908 1.00 0.00 C ATOM 0 H THR B 30 -10.953 6.800 -9.326 1.00 0.00 H new ATOM 0 HA THR B 30 -10.911 7.211 -7.167 1.00 0.00 H new ATOM 0 HB THR B 30 -8.888 9.318 -7.669 1.00 0.00 H new ATOM 0 HG1 THR B 30 -8.261 7.549 -9.019 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.659 8.211 -5.761 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.286 8.756 -5.287 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.988 7.035 -5.626 1.00 0.00 H new ATOM 806 N ARG B 31 -12.672 9.396 -7.807 1.00 0.00 N ATOM 807 CA ARG B 31 -13.706 10.415 -7.532 1.00 0.00 C ATOM 808 C ARG B 31 -15.103 9.822 -7.748 1.00 0.00 C ATOM 809 O ARG B 31 -15.973 10.020 -6.871 1.00 0.00 O ATOM 810 CB ARG B 31 -13.503 11.634 -8.456 1.00 0.00 C ATOM 811 CG ARG B 31 -12.367 12.571 -8.001 1.00 0.00 C ATOM 812 CD ARG B 31 -11.881 13.470 -9.145 1.00 0.00 C ATOM 813 NE ARG B 31 -11.091 12.694 -10.118 1.00 0.00 N ATOM 814 CZ ARG B 31 -10.538 13.115 -11.234 1.00 0.00 C ATOM 815 NH1 ARG B 31 -10.671 14.338 -11.660 1.00 0.00 N ATOM 816 NH2 ARG B 31 -9.829 12.283 -11.939 1.00 0.00 N ATOM 817 OXT ARG B 31 -15.298 9.147 -8.785 1.00 0.00 O ATOM 0 H ARG B 31 -12.942 8.796 -8.586 1.00 0.00 H new ATOM 0 HA ARG B 31 -13.616 10.736 -6.494 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.290 11.283 -9.466 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -14.433 12.201 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.715 13.190 -7.174 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.534 11.977 -7.626 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -12.736 13.926 -9.644 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.276 14.283 -8.743 1.00 0.00 H new ATOM 0 HE ARG B 31 -10.957 11.707 -9.898 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.220 15.008 -11.122 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -10.226 14.626 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -9.709 11.320 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -9.393 12.593 -12.807 1.00 0.00 H new TER 831 ARG B 31