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= 0.745 K(o=1.6,f=-0.13) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.87 K(o=1.6,f=-0.13) USER MOD Set 2.1: A 8 THR OG1 : rot -99:sc= 1.27 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 GLY N :NH3+ 162:sc= 0.673 (180deg=0) USER MOD Set 3.2: B 30 THR OG1 : rot -50:sc= 0.735 USER MOD Single : A 12 SER OG : rot 47:sc= 0.209 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.18 K(o=1.2,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ -98:sc= 0.0553 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.18) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,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 180:sc= 0.014 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= 1.32 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.336 4.162 -3.929 1.00 0.00 N ATOM 2 CA GLY A 1 -5.569 4.717 -5.065 1.00 0.00 C ATOM 3 C GLY A 1 -4.215 4.058 -5.229 1.00 0.00 C ATOM 4 O GLY A 1 -3.198 4.670 -4.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.095 4.823 -3.666 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.752 3.249 -4.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.702 4.023 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.144 4.592 -5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.432 5.788 -4.918 1.00 0.00 H new ATOM 10 N ILE A 2 -4.169 2.835 -5.769 1.00 0.00 N ATOM 11 CA ILE A 2 -2.904 2.132 -6.079 1.00 0.00 C ATOM 12 C ILE A 2 -2.216 2.711 -7.315 1.00 0.00 C ATOM 13 O ILE A 2 -0.994 2.740 -7.380 1.00 0.00 O ATOM 14 CB ILE A 2 -3.167 0.630 -6.229 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.887 -0.138 -6.612 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.246 0.392 -7.285 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.008 -1.650 -6.455 1.00 0.00 C ATOM 0 H ILE A 2 -5.004 2.299 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.216 2.283 -5.247 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.507 0.256 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.632 0.092 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.062 0.218 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.427 -0.678 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.168 0.889 -6.982 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.914 0.795 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.069 -2.122 -6.743 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.232 -1.891 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.810 -2.019 -7.094 1.00 0.00 H new ATOM 29 N VAL A 3 -2.993 3.232 -8.265 1.00 0.00 N ATOM 30 CA VAL A 3 -2.534 4.042 -9.394 1.00 0.00 C ATOM 31 C VAL A 3 -1.548 5.109 -8.959 1.00 0.00 C ATOM 32 O VAL A 3 -0.490 5.227 -9.565 1.00 0.00 O ATOM 33 CB VAL A 3 -3.730 4.693 -10.090 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.302 5.427 -11.370 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.809 3.676 -10.500 1.00 0.00 C ATOM 0 H VAL A 3 -4.004 3.095 -8.269 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.020 3.378 -10.089 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.139 5.387 -9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.176 5.878 -11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.582 6.206 -11.119 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.844 4.718 -12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.632 4.196 -10.989 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.380 2.948 -11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.180 3.162 -9.613 1.00 0.00 H new ATOM 45 N GLU A 4 -1.834 5.836 -7.879 1.00 0.00 N ATOM 46 CA GLU A 4 -0.917 6.878 -7.418 1.00 0.00 C ATOM 47 C GLU A 4 0.433 6.279 -6.967 1.00 0.00 C ATOM 48 O GLU A 4 1.492 6.847 -7.235 1.00 0.00 O ATOM 49 CB GLU A 4 -1.588 7.703 -6.310 1.00 0.00 C ATOM 50 CG GLU A 4 -0.747 8.920 -5.907 1.00 0.00 C ATOM 51 CD GLU A 4 -1.503 9.805 -4.896 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.400 9.558 -3.670 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.206 10.755 -5.317 1.00 0.00 O ATOM 0 H GLU A 4 -2.677 5.726 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.692 7.547 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.568 8.037 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.752 7.071 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.195 8.587 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.499 9.505 -6.793 1.00 0.00 H new ATOM 60 N GLN A 5 0.402 5.091 -6.356 1.00 0.00 N ATOM 61 CA GLN A 5 1.576 4.314 -5.943 1.00 0.00 C ATOM 62 C GLN A 5 2.355 3.702 -7.122 1.00 0.00 C ATOM 63 O GLN A 5 3.567 3.896 -7.215 1.00 0.00 O ATOM 64 CB GLN A 5 1.117 3.240 -4.934 1.00 0.00 C ATOM 65 CG GLN A 5 1.392 3.616 -3.471 1.00 0.00 C ATOM 66 CD GLN A 5 2.879 3.545 -3.119 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.469 2.478 -3.011 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.550 4.664 -2.938 1.00 0.00 N ATOM 0 H GLN A 5 -0.476 4.625 -6.126 1.00 0.00 H new ATOM 0 HA GLN A 5 2.287 4.991 -5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.048 3.066 -5.061 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.622 2.301 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.025 4.625 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.834 2.947 -2.816 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.075 5.563 -3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.544 4.632 -2.712 1.00 0.00 H new ATOM 77 N CYS A 6 1.699 3.001 -8.051 1.00 0.00 N ATOM 78 CA CYS A 6 2.397 2.306 -9.134 1.00 0.00 C ATOM 79 C CYS A 6 2.833 3.244 -10.260 1.00 0.00 C ATOM 80 O CYS A 6 3.912 3.078 -10.828 1.00 0.00 O ATOM 81 CB CYS A 6 1.629 1.139 -9.740 1.00 0.00 C ATOM 82 SG CYS A 6 2.830 0.049 -10.535 1.00 0.00 S ATOM 0 H CYS A 6 0.684 2.900 -8.074 1.00 0.00 H new ATOM 0 HA CYS A 6 3.277 1.899 -8.635 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.077 0.602 -8.969 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.898 1.497 -10.465 1.00 0.00 H new ATOM 87 N CYS A 7 1.988 4.216 -10.621 1.00 0.00 N ATOM 88 CA CYS A 7 2.216 5.041 -11.804 1.00 0.00 C ATOM 89 C CYS A 7 3.360 6.048 -11.548 1.00 0.00 C ATOM 90 O CYS A 7 4.152 6.332 -12.447 1.00 0.00 O ATOM 91 CB CYS A 7 0.901 5.756 -12.168 1.00 0.00 C ATOM 92 SG CYS A 7 0.959 6.884 -13.584 1.00 0.00 S ATOM 0 H CYS A 7 1.138 4.448 -10.106 1.00 0.00 H new ATOM 0 HA CYS A 7 2.522 4.416 -12.643 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.144 4.997 -12.367 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.566 6.319 -11.297 1.00 0.00 H new ATOM 97 N THR A 8 3.478 6.562 -10.310 1.00 0.00 N ATOM 98 CA THR A 8 4.544 7.507 -9.902 1.00 0.00 C ATOM 99 C THR A 8 5.776 6.824 -9.309 1.00 0.00 C ATOM 100 O THR A 8 6.893 7.277 -9.570 1.00 0.00 O ATOM 101 CB THR A 8 4.060 8.584 -8.914 1.00 0.00 C ATOM 102 OG1 THR A 8 3.855 8.085 -7.613 1.00 0.00 O ATOM 103 CG2 THR A 8 2.767 9.253 -9.356 1.00 0.00 C ATOM 0 H THR A 8 2.832 6.333 -9.555 1.00 0.00 H new ATOM 0 HA THR A 8 4.827 7.986 -10.840 1.00 0.00 H new ATOM 0 HB THR A 8 4.869 9.314 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.901 7.903 -7.479 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.475 10.003 -8.620 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.918 9.733 -10.323 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.980 8.503 -9.442 1.00 0.00 H new ATOM 111 N SER A 9 5.592 5.730 -8.554 1.00 0.00 N ATOM 112 CA SER A 9 6.687 4.931 -7.987 1.00 0.00 C ATOM 113 C SER A 9 6.729 3.560 -8.665 1.00 0.00 C ATOM 114 O SER A 9 6.888 3.510 -9.884 1.00 0.00 O ATOM 115 CB SER A 9 6.648 4.888 -6.451 1.00 0.00 C ATOM 116 OG SER A 9 6.747 6.193 -5.900 1.00 0.00 O ATOM 0 H SER A 9 4.667 5.372 -8.318 1.00 0.00 H new ATOM 0 HA SER A 9 7.638 5.417 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.721 4.420 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.466 4.271 -6.081 1.00 0.00 H new ATOM 0 HG SER A 9 6.718 6.138 -4.922 1.00 0.00 H new ATOM 122 N ILE A 10 6.616 2.452 -7.926 1.00 0.00 N ATOM 123 CA ILE A 10 6.669 1.078 -8.447 1.00 0.00 C ATOM 124 C ILE A 10 5.745 0.148 -7.644 1.00 0.00 C ATOM 125 O ILE A 10 5.454 0.420 -6.476 1.00 0.00 O ATOM 126 CB ILE A 10 8.119 0.521 -8.468 1.00 0.00 C ATOM 127 CG1 ILE A 10 8.792 0.671 -7.082 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.964 1.183 -9.570 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.180 0.033 -6.967 1.00 0.00 C ATOM 0 H ILE A 10 6.481 2.485 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 10 6.315 1.113 -9.477 1.00 0.00 H new ATOM 0 HB ILE A 10 8.058 -0.542 -8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.875 1.732 -6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.141 0.228 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.972 0.768 -9.554 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.508 0.992 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.011 2.258 -9.396 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.570 0.190 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.106 -1.036 -7.165 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.852 0.491 -7.693 1.00 0.00 H new ATOM 141 N CYS A 11 5.305 -0.956 -8.252 1.00 0.00 N ATOM 142 CA CYS A 11 4.414 -1.943 -7.636 1.00 0.00 C ATOM 143 C CYS A 11 4.706 -3.403 -8.054 1.00 0.00 C ATOM 144 O CYS A 11 5.506 -3.667 -8.955 1.00 0.00 O ATOM 145 CB CYS A 11 2.967 -1.554 -7.959 1.00 0.00 C ATOM 146 SG CYS A 11 2.500 -1.747 -9.694 1.00 0.00 S ATOM 0 H CYS A 11 5.564 -1.195 -9.209 1.00 0.00 H new ATOM 0 HA CYS A 11 4.590 -1.923 -6.560 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.298 -2.159 -7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.811 -0.515 -7.669 1.00 0.00 H new ATOM 151 N SER A 12 4.047 -4.347 -7.367 1.00 0.00 N ATOM 152 CA SER A 12 4.173 -5.815 -7.471 1.00 0.00 C ATOM 153 C SER A 12 2.873 -6.478 -6.979 1.00 0.00 C ATOM 154 O SER A 12 1.972 -5.771 -6.525 1.00 0.00 O ATOM 155 CB SER A 12 5.388 -6.230 -6.622 1.00 0.00 C ATOM 156 OG SER A 12 5.560 -7.631 -6.570 1.00 0.00 O ATOM 0 H SER A 12 3.354 -4.086 -6.665 1.00 0.00 H new ATOM 0 HA SER A 12 4.326 -6.136 -8.501 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.288 -5.772 -7.033 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.268 -5.844 -5.610 1.00 0.00 H new ATOM 0 HG SER A 12 5.480 -8.004 -7.473 1.00 0.00 H new ATOM 162 N LEU A 13 2.744 -7.812 -6.978 1.00 0.00 N ATOM 163 CA LEU A 13 1.616 -8.505 -6.315 1.00 0.00 C ATOM 164 C LEU A 13 1.455 -8.123 -4.833 1.00 0.00 C ATOM 165 O LEU A 13 0.339 -8.135 -4.314 1.00 0.00 O ATOM 166 CB LEU A 13 1.639 -10.043 -6.485 1.00 0.00 C ATOM 167 CG LEU A 13 2.954 -10.743 -6.844 1.00 0.00 C ATOM 168 CD1 LEU A 13 3.955 -10.692 -5.691 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.683 -12.214 -7.158 1.00 0.00 C ATOM 0 H LEU A 13 3.408 -8.441 -7.430 1.00 0.00 H new ATOM 0 HA LEU A 13 0.736 -8.142 -6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.280 -10.480 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.912 -10.297 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 13 3.372 -10.223 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.874 -11.199 -5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.176 -9.653 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.530 -11.188 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.619 -12.710 -7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.242 -12.697 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.994 -12.285 -7.999 1.00 0.00 H new ATOM 181 N TYR A 14 2.538 -7.671 -4.199 1.00 0.00 N ATOM 182 CA TYR A 14 2.550 -7.056 -2.869 1.00 0.00 C ATOM 183 C TYR A 14 1.603 -5.841 -2.747 1.00 0.00 C ATOM 184 O TYR A 14 1.196 -5.493 -1.639 1.00 0.00 O ATOM 185 CB TYR A 14 3.996 -6.652 -2.536 1.00 0.00 C ATOM 186 CG TYR A 14 4.454 -7.119 -1.166 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.361 -6.268 -0.050 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.966 -8.422 -1.022 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.786 -6.717 1.215 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.389 -8.877 0.241 1.00 0.00 C ATOM 191 CZ TYR A 14 5.302 -8.026 1.363 1.00 0.00 C ATOM 192 OH TYR A 14 5.716 -8.471 2.582 1.00 0.00 O ATOM 0 H TYR A 14 3.468 -7.725 -4.614 1.00 0.00 H new ATOM 0 HA TYR A 14 2.177 -7.790 -2.155 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.663 -7.063 -3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.083 -5.567 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.964 -5.270 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.034 -9.073 -1.881 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.718 -6.063 2.072 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.780 -9.878 0.351 1.00 0.00 H new ATOM 0 HH TYR A 14 6.040 -9.392 2.501 1.00 0.00 H new ATOM 202 N GLN A 15 1.232 -5.207 -3.871 1.00 0.00 N ATOM 203 CA GLN A 15 0.243 -4.130 -3.951 1.00 0.00 C ATOM 204 C GLN A 15 -1.003 -4.579 -4.738 1.00 0.00 C ATOM 205 O GLN A 15 -2.118 -4.419 -4.255 1.00 0.00 O ATOM 206 CB GLN A 15 0.878 -2.884 -4.580 1.00 0.00 C ATOM 207 CG GLN A 15 2.200 -2.487 -3.910 1.00 0.00 C ATOM 208 CD GLN A 15 2.498 -0.997 -4.042 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.166 -0.348 -5.021 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.130 -0.398 -3.056 1.00 0.00 N ATOM 0 H GLN A 15 1.630 -5.442 -4.780 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.084 -3.880 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.054 -3.067 -5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.178 -2.052 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.163 -2.755 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.015 -3.058 -4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.412 -0.930 -2.233 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.338 0.599 -3.114 1.00 0.00 H new ATOM 219 N LEU A 16 -0.822 -5.166 -5.926 1.00 0.00 N ATOM 220 CA LEU A 16 -1.899 -5.452 -6.888 1.00 0.00 C ATOM 221 C LEU A 16 -2.881 -6.522 -6.414 1.00 0.00 C ATOM 222 O LEU A 16 -4.035 -6.503 -6.838 1.00 0.00 O ATOM 223 CB LEU A 16 -1.304 -5.957 -8.204 1.00 0.00 C ATOM 224 CG LEU A 16 -0.712 -4.978 -9.207 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.798 -4.126 -9.826 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.313 -4.021 -8.652 1.00 0.00 C ATOM 0 H LEU A 16 0.096 -5.463 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.437 -4.511 -7.005 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.521 -6.671 -7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.087 -6.512 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.213 -5.625 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.354 -3.433 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.515 -4.767 -10.340 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.309 -3.564 -9.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.670 -3.368 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.140 -3.418 -7.865 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.151 -4.584 -8.241 1.00 0.00 H new ATOM 238 N GLU A 17 -2.481 -7.454 -5.544 1.00 0.00 N ATOM 239 CA GLU A 17 -3.381 -8.536 -5.117 1.00 0.00 C ATOM 240 C GLU A 17 -4.470 -8.030 -4.146 1.00 0.00 C ATOM 241 O GLU A 17 -5.382 -8.760 -3.755 1.00 0.00 O ATOM 242 CB GLU A 17 -2.568 -9.743 -4.618 1.00 0.00 C ATOM 243 CG GLU A 17 -3.288 -11.066 -4.920 1.00 0.00 C ATOM 244 CD GLU A 17 -2.647 -12.309 -4.266 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.554 -12.233 -3.654 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.253 -13.402 -4.390 1.00 0.00 O ATOM 0 H GLU A 17 -1.552 -7.484 -5.124 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.945 -8.898 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.587 -9.744 -5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.403 -9.654 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.322 -10.987 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.314 -11.212 -6.000 1.00 0.00 H new ATOM 253 N ASN A 18 -4.412 -6.734 -3.819 1.00 0.00 N ATOM 254 CA ASN A 18 -5.464 -5.984 -3.137 1.00 0.00 C ATOM 255 C ASN A 18 -6.583 -5.543 -4.091 1.00 0.00 C ATOM 256 O ASN A 18 -7.680 -5.236 -3.619 1.00 0.00 O ATOM 257 CB ASN A 18 -4.873 -4.733 -2.466 1.00 0.00 C ATOM 258 CG ASN A 18 -3.970 -5.062 -1.289 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.424 -5.345 -0.188 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.674 -5.051 -1.496 1.00 0.00 N ATOM 0 H ASN A 18 -3.597 -6.159 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.893 -6.655 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.307 -4.165 -3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.686 -4.092 -2.125 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.034 -5.280 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.307 -4.814 -2.418 1.00 0.00 H new ATOM 267 N TYR A 19 -6.344 -5.484 -5.410 1.00 0.00 N ATOM 268 CA TYR A 19 -7.394 -5.051 -6.339 1.00 0.00 C ATOM 269 C TYR A 19 -8.399 -6.163 -6.621 1.00 0.00 C ATOM 270 O TYR A 19 -9.556 -5.879 -6.945 1.00 0.00 O ATOM 271 CB TYR A 19 -6.778 -4.699 -7.677 1.00 0.00 C ATOM 272 CG TYR A 19 -6.284 -3.310 -7.926 1.00 0.00 C ATOM 273 CD1 TYR A 19 -7.191 -2.246 -8.066 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.977 -3.203 -8.404 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.808 -1.113 -8.809 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.654 -2.166 -9.285 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.587 -1.127 -9.525 1.00 0.00 C ATOM 278 OH TYR A 19 -5.294 -0.123 -10.396 1.00 0.00 O ATOM 0 H TYR A 19 -5.455 -5.725 -5.848 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.891 -4.201 -5.872 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.939 -5.376 -7.836 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.519 -4.923 -8.445 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.169 -2.297 -7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.223 -3.913 -8.097 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.442 -0.239 -8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.695 -2.157 -9.782 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.720 0.706 -10.094 1.00 0.00 H new ATOM 288 N CYS A 20 -7.943 -7.420 -6.570 1.00 0.00 N ATOM 289 CA CYS A 20 -8.773 -8.551 -6.934 1.00 0.00 C ATOM 290 C CYS A 20 -10.052 -8.606 -6.081 1.00 0.00 C ATOM 291 O CYS A 20 -10.036 -8.267 -4.891 1.00 0.00 O ATOM 292 CB CYS A 20 -8.020 -9.876 -6.797 1.00 0.00 C ATOM 293 SG CYS A 20 -6.301 -9.966 -7.356 1.00 0.00 S ATOM 0 H CYS A 20 -6.998 -7.670 -6.278 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.046 -8.409 -7.980 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.040 -10.159 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.584 -10.633 -7.341 1.00 0.00 H new ATOM 298 N ASN A 21 -11.160 -9.049 -6.674 1.00 0.00 N ATOM 299 CA ASN A 21 -12.438 -9.087 -5.969 1.00 0.00 C ATOM 300 C ASN A 21 -12.481 -10.206 -4.904 1.00 0.00 C ATOM 301 O ASN A 21 -12.075 -11.342 -5.174 1.00 0.00 O ATOM 302 CB ASN A 21 -13.624 -9.119 -6.958 1.00 0.00 C ATOM 303 CG ASN A 21 -13.557 -10.165 -8.068 1.00 0.00 C ATOM 304 OD1 ASN A 21 -13.853 -9.886 -9.221 1.00 0.00 O ATOM 305 ND2 ASN A 21 -13.182 -11.384 -7.778 1.00 0.00 N ATOM 0 H ASN A 21 -11.198 -9.385 -7.636 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.541 -8.158 -5.408 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.539 -9.284 -6.389 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.709 -8.136 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.138 -12.092 -8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.933 -11.626 -6.819 1.00 0.00 H new ATOM 312 N SER A 22 -13.002 -9.883 -3.713 1.00 0.00 N ATOM 313 CA SER A 22 -13.119 -10.772 -2.534 1.00 0.00 C ATOM 314 C SER A 22 -14.551 -10.824 -1.986 1.00 0.00 C ATOM 315 O SER A 22 -15.149 -9.748 -1.750 1.00 0.00 O ATOM 316 CB SER A 22 -12.153 -10.335 -1.427 1.00 0.00 C ATOM 317 OG SER A 22 -10.815 -10.437 -1.886 1.00 0.00 O ATOM 318 OXT SER A 22 -15.076 -11.947 -1.798 1.00 0.00 O ATOM 0 H SER A 22 -13.373 -8.951 -3.529 1.00 0.00 H new ATOM 0 HA SER A 22 -12.855 -11.775 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.367 -9.309 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.292 -10.958 -0.544 1.00 0.00 H new ATOM 0 HG SER A 22 -10.203 -10.155 -1.175 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 9.174 -12.020 -8.406 1.00 0.00 N ATOM 326 CA PHE B 1 8.187 -11.218 -9.171 1.00 0.00 C ATOM 327 C PHE B 1 8.781 -9.861 -9.557 1.00 0.00 C ATOM 328 O PHE B 1 9.675 -9.352 -8.877 1.00 0.00 O ATOM 329 CB PHE B 1 6.863 -11.052 -8.396 1.00 0.00 C ATOM 330 CG PHE B 1 5.680 -10.623 -9.245 1.00 0.00 C ATOM 331 CD1 PHE B 1 4.869 -11.599 -9.859 1.00 0.00 C ATOM 332 CD2 PHE B 1 5.369 -9.260 -9.406 1.00 0.00 C ATOM 333 CE1 PHE B 1 3.737 -11.215 -10.601 1.00 0.00 C ATOM 334 CE2 PHE B 1 4.241 -8.877 -10.154 1.00 0.00 C ATOM 335 CZ PHE B 1 3.418 -9.855 -10.738 1.00 0.00 C ATOM 0 H1 PHE B 1 9.647 -12.690 -9.045 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.882 -11.387 -7.983 1.00 0.00 H new ATOM 0 H3 PHE B 1 8.685 -12.546 -7.653 1.00 0.00 H new ATOM 0 HA PHE B 1 7.954 -11.761 -10.087 1.00 0.00 H new ATOM 0 HB2 PHE B 1 6.621 -11.998 -7.911 1.00 0.00 H new ATOM 0 HB3 PHE B 1 7.011 -10.317 -7.605 1.00 0.00 H new ATOM 0 HD1 PHE B 1 5.118 -12.645 -9.759 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.998 -8.507 -8.954 1.00 0.00 H new ATOM 0 HE1 PHE B 1 3.114 -11.966 -11.065 1.00 0.00 H new ATOM 0 HE2 PHE B 1 4.007 -7.830 -10.280 1.00 0.00 H new ATOM 0 HZ PHE B 1 2.539 -9.560 -11.293 1.00 0.00 H new ATOM 347 N VAL B 2 8.316 -9.275 -10.664 1.00 0.00 N ATOM 348 CA VAL B 2 8.877 -8.040 -11.237 1.00 0.00 C ATOM 349 C VAL B 2 8.264 -6.771 -10.628 1.00 0.00 C ATOM 350 O VAL B 2 7.044 -6.590 -10.629 1.00 0.00 O ATOM 351 CB VAL B 2 8.806 -8.087 -12.778 1.00 0.00 C ATOM 352 CG1 VAL B 2 7.385 -8.095 -13.361 1.00 0.00 C ATOM 353 CG2 VAL B 2 9.615 -6.954 -13.409 1.00 0.00 C ATOM 0 H VAL B 2 7.530 -9.647 -11.197 1.00 0.00 H new ATOM 0 HA VAL B 2 9.931 -7.986 -10.966 1.00 0.00 H new ATOM 0 HB VAL B 2 9.246 -9.050 -13.037 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.438 -8.129 -14.449 1.00 0.00 H new ATOM 0 HG12 VAL B 2 6.847 -8.970 -12.997 1.00 0.00 H new ATOM 0 HG13 VAL B 2 6.860 -7.192 -13.051 1.00 0.00 H new ATOM 0 HG21 VAL B 2 9.543 -7.017 -14.495 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.220 -5.995 -13.074 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.659 -7.041 -13.109 1.00 0.00 H new ATOM 363 N LYS B 3 9.118 -5.862 -10.137 1.00 0.00 N ATOM 364 CA LYS B 3 8.733 -4.507 -9.713 1.00 0.00 C ATOM 365 C LYS B 3 8.726 -3.559 -10.915 1.00 0.00 C ATOM 366 O LYS B 3 9.712 -3.502 -11.649 1.00 0.00 O ATOM 367 CB LYS B 3 9.680 -4.010 -8.611 1.00 0.00 C ATOM 368 CG LYS B 3 9.599 -4.885 -7.348 1.00 0.00 C ATOM 369 CD LYS B 3 10.515 -4.386 -6.222 1.00 0.00 C ATOM 370 CE LYS B 3 12.002 -4.481 -6.593 1.00 0.00 C ATOM 371 NZ LYS B 3 12.875 -4.065 -5.463 1.00 0.00 N ATOM 0 H LYS B 3 10.114 -6.050 -10.021 1.00 0.00 H new ATOM 0 HA LYS B 3 7.724 -4.532 -9.302 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.704 -4.007 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.431 -2.980 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.569 -4.906 -6.991 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.869 -5.910 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS B 3 10.267 -3.351 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS B 3 10.330 -4.970 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS B 3 12.241 -5.505 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS B 3 12.203 -3.851 -7.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 13.872 -4.141 -5.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 12.663 -3.080 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 12.701 -4.682 -4.644 1.00 0.00 H new ATOM 385 N GLN B 4 7.629 -2.833 -11.129 1.00 0.00 N ATOM 386 CA GLN B 4 7.421 -1.985 -12.317 1.00 0.00 C ATOM 387 C GLN B 4 6.701 -0.676 -11.988 1.00 0.00 C ATOM 388 O GLN B 4 5.924 -0.626 -11.039 1.00 0.00 O ATOM 389 CB GLN B 4 6.558 -2.712 -13.360 1.00 0.00 C ATOM 390 CG GLN B 4 7.092 -4.066 -13.828 1.00 0.00 C ATOM 391 CD GLN B 4 6.201 -4.681 -14.902 1.00 0.00 C ATOM 392 OE1 GLN B 4 6.484 -4.630 -16.091 1.00 0.00 O ATOM 393 NE2 GLN B 4 5.082 -5.262 -14.523 1.00 0.00 N ATOM 0 H GLN B 4 6.845 -2.813 -10.477 1.00 0.00 H new ATOM 0 HA GLN B 4 8.419 -1.769 -12.700 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.562 -2.858 -12.943 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.448 -2.064 -14.230 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.102 -3.944 -14.219 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.159 -4.745 -12.978 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.841 -5.307 -13.533 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.456 -5.667 -15.219 1.00 0.00 H new ATOM 402 N HIS B 5 6.913 0.349 -12.819 1.00 0.00 N ATOM 403 CA HIS B 5 6.135 1.593 -12.833 1.00 0.00 C ATOM 404 C HIS B 5 4.992 1.480 -13.849 1.00 0.00 C ATOM 405 O HIS B 5 5.241 1.151 -15.008 1.00 0.00 O ATOM 406 CB HIS B 5 7.035 2.797 -13.142 1.00 0.00 C ATOM 407 CG HIS B 5 8.091 2.579 -14.208 1.00 0.00 C ATOM 408 ND1 HIS B 5 9.450 2.497 -13.987 1.00 0.00 N ATOM 409 CD2 HIS B 5 7.898 2.424 -15.555 1.00 0.00 C ATOM 410 CE1 HIS B 5 10.060 2.290 -15.165 1.00 0.00 C ATOM 411 NE2 HIS B 5 9.150 2.234 -16.154 1.00 0.00 N ATOM 0 H HIS B 5 7.652 0.336 -13.522 1.00 0.00 H new ATOM 0 HA HIS B 5 5.705 1.752 -11.844 1.00 0.00 H new ATOM 0 HB2 HIS B 5 6.402 3.629 -13.450 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.533 3.099 -12.221 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.947 2.445 -16.066 1.00 0.00 H new ATOM 0 HE1 HIS B 5 11.126 2.184 -15.299 1.00 0.00 H new ATOM 0 HE2 HIS B 5 9.335 2.083 -17.146 1.00 0.00 H new ATOM 419 N LEU B 6 3.735 1.702 -13.446 1.00 0.00 N ATOM 420 CA LEU B 6 2.570 1.386 -14.288 1.00 0.00 C ATOM 421 C LEU B 6 1.381 2.313 -14.046 1.00 0.00 C ATOM 422 O LEU B 6 0.957 2.527 -12.913 1.00 0.00 O ATOM 423 CB LEU B 6 2.098 -0.055 -14.038 1.00 0.00 C ATOM 424 CG LEU B 6 3.154 -1.145 -14.053 1.00 0.00 C ATOM 425 CD1 LEU B 6 2.575 -2.417 -13.427 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.644 -1.579 -15.437 1.00 0.00 C ATOM 0 H LEU B 6 3.496 2.101 -12.538 1.00 0.00 H new ATOM 0 HA LEU B 6 2.908 1.519 -15.316 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.598 -0.083 -13.070 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.349 -0.300 -14.791 1.00 0.00 H new ATOM 0 HG LEU B 6 3.992 -0.705 -13.513 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.330 -3.203 -13.436 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.275 -2.213 -12.399 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.707 -2.742 -14.000 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.396 -2.361 -15.328 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.804 -1.961 -16.017 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.082 -0.724 -15.953 1.00 0.00 H new ATOM 438 N CYS B 7 0.791 2.791 -15.132 1.00 0.00 N ATOM 439 CA CYS B 7 -0.344 3.708 -15.142 1.00 0.00 C ATOM 440 C CYS B 7 -1.515 3.067 -15.907 1.00 0.00 C ATOM 441 O CYS B 7 -1.336 2.634 -17.049 1.00 0.00 O ATOM 442 CB CYS B 7 0.119 5.007 -15.816 1.00 0.00 C ATOM 443 SG CYS B 7 1.623 5.767 -15.145 1.00 0.00 S ATOM 0 H CYS B 7 1.102 2.541 -16.071 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.690 3.924 -14.131 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.281 4.805 -16.875 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.690 5.734 -15.751 1.00 0.00 H new ATOM 448 N GLY B 8 -2.699 2.971 -15.290 1.00 0.00 N ATOM 449 CA GLY B 8 -3.940 2.539 -15.951 1.00 0.00 C ATOM 450 C GLY B 8 -3.828 1.151 -16.600 1.00 0.00 C ATOM 451 O GLY B 8 -3.692 0.150 -15.899 1.00 0.00 O ATOM 0 H GLY B 8 -2.825 3.194 -14.303 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.748 2.527 -15.220 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.211 3.269 -16.714 1.00 0.00 H new ATOM 455 N SER B 9 -3.826 1.091 -17.935 1.00 0.00 N ATOM 456 CA SER B 9 -3.683 -0.139 -18.735 1.00 0.00 C ATOM 457 C SER B 9 -2.426 -0.958 -18.414 1.00 0.00 C ATOM 458 O SER B 9 -2.495 -2.187 -18.370 1.00 0.00 O ATOM 459 CB SER B 9 -3.615 0.242 -20.218 1.00 0.00 C ATOM 460 OG SER B 9 -4.770 0.972 -20.601 1.00 0.00 O ATOM 0 H SER B 9 -3.927 1.925 -18.513 1.00 0.00 H new ATOM 0 HA SER B 9 -4.547 -0.758 -18.492 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.723 0.839 -20.405 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.529 -0.658 -20.826 1.00 0.00 H new ATOM 0 HG SER B 9 -4.708 1.208 -21.550 1.00 0.00 H new ATOM 466 N HIS B 10 -1.292 -0.309 -18.125 1.00 0.00 N ATOM 467 CA HIS B 10 -0.082 -1.002 -17.659 1.00 0.00 C ATOM 468 C HIS B 10 -0.273 -1.584 -16.264 1.00 0.00 C ATOM 469 O HIS B 10 0.219 -2.667 -15.961 1.00 0.00 O ATOM 470 CB HIS B 10 1.098 -0.025 -17.605 1.00 0.00 C ATOM 471 CG HIS B 10 1.489 0.524 -18.942 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.215 -0.098 -19.934 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.161 1.766 -19.399 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.321 0.758 -20.966 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.692 1.914 -20.686 1.00 0.00 N ATOM 0 H HIS B 10 -1.186 0.702 -18.206 1.00 0.00 H new ATOM 0 HA HIS B 10 0.117 -1.810 -18.364 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.843 0.803 -16.943 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.957 -0.531 -17.165 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.590 2.508 -18.861 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.839 0.547 -21.890 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.617 2.733 -21.290 1.00 0.00 H new ATOM 483 N LEU B 11 -0.984 -0.862 -15.397 1.00 0.00 N ATOM 484 CA LEU B 11 -1.215 -1.262 -14.013 1.00 0.00 C ATOM 485 C LEU B 11 -2.118 -2.494 -14.005 1.00 0.00 C ATOM 486 O LEU B 11 -1.830 -3.468 -13.319 1.00 0.00 O ATOM 487 CB LEU B 11 -1.815 -0.079 -13.232 1.00 0.00 C ATOM 488 CG LEU B 11 -1.148 0.158 -11.874 1.00 0.00 C ATOM 489 CD1 LEU B 11 -1.909 1.227 -11.128 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.103 -1.080 -10.994 1.00 0.00 C ATOM 0 H LEU B 11 -1.420 0.027 -15.641 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.281 -1.530 -13.518 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.727 0.825 -13.834 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.879 -0.257 -13.079 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.120 0.453 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.439 1.400 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.900 2.151 -11.706 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.939 0.903 -10.978 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.617 -0.837 -10.049 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.118 -1.427 -10.801 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.541 -1.865 -11.499 1.00 0.00 H new ATOM 502 N VAL B 12 -3.133 -2.497 -14.874 1.00 0.00 N ATOM 503 CA VAL B 12 -3.946 -3.678 -15.184 1.00 0.00 C ATOM 504 C VAL B 12 -3.076 -4.796 -15.759 1.00 0.00 C ATOM 505 O VAL B 12 -3.335 -5.944 -15.452 1.00 0.00 O ATOM 506 CB VAL B 12 -5.119 -3.362 -16.142 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.873 -4.607 -16.618 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.122 -2.453 -15.425 1.00 0.00 C ATOM 0 H VAL B 12 -3.418 -1.665 -15.391 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.384 -4.012 -14.243 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.680 -2.884 -17.018 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.681 -4.310 -17.286 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.187 -5.267 -17.150 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.288 -5.132 -15.758 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.951 -2.226 -16.095 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.501 -2.959 -14.537 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.629 -1.526 -15.132 1.00 0.00 H new ATOM 518 N GLU B 13 -2.000 -4.533 -16.510 1.00 0.00 N ATOM 519 CA GLU B 13 -1.125 -5.608 -17.015 1.00 0.00 C ATOM 520 C GLU B 13 -0.408 -6.355 -15.871 1.00 0.00 C ATOM 521 O GLU B 13 -0.067 -7.530 -16.017 1.00 0.00 O ATOM 522 CB GLU B 13 -0.158 -5.060 -18.074 1.00 0.00 C ATOM 523 CG GLU B 13 0.421 -6.157 -18.976 1.00 0.00 C ATOM 524 CD GLU B 13 1.262 -5.549 -20.115 1.00 0.00 C ATOM 525 OE1 GLU B 13 0.739 -5.400 -21.247 1.00 0.00 O ATOM 526 OE2 GLU B 13 2.454 -5.222 -19.891 1.00 0.00 O ATOM 0 H GLU B 13 -1.712 -3.593 -16.782 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.748 -6.356 -17.505 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.679 -4.327 -18.690 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.659 -4.536 -17.577 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.039 -6.832 -18.383 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.389 -6.753 -19.396 1.00 0.00 H new ATOM 533 N ALA B 14 -0.246 -5.713 -14.704 1.00 0.00 N ATOM 534 CA ALA B 14 0.166 -6.382 -13.473 1.00 0.00 C ATOM 535 C ALA B 14 -1.056 -6.978 -12.760 1.00 0.00 C ATOM 536 O ALA B 14 -1.078 -8.164 -12.469 1.00 0.00 O ATOM 537 CB ALA B 14 0.946 -5.396 -12.603 1.00 0.00 C ATOM 0 H ALA B 14 -0.399 -4.711 -14.593 1.00 0.00 H new ATOM 0 HA ALA B 14 0.830 -7.217 -13.696 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.256 -5.890 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.827 -5.051 -13.144 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.312 -4.543 -12.361 1.00 0.00 H new ATOM 543 N LEU B 15 -2.117 -6.208 -12.541 1.00 0.00 N ATOM 544 CA LEU B 15 -3.358 -6.622 -11.893 1.00 0.00 C ATOM 545 C LEU B 15 -3.922 -7.941 -12.459 1.00 0.00 C ATOM 546 O LEU B 15 -4.183 -8.899 -11.737 1.00 0.00 O ATOM 547 CB LEU B 15 -4.349 -5.471 -12.140 1.00 0.00 C ATOM 548 CG LEU B 15 -5.355 -5.248 -11.035 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.334 -4.167 -11.473 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.043 -6.529 -10.654 1.00 0.00 C ATOM 0 H LEU B 15 -2.136 -5.228 -12.825 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.184 -6.814 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.784 -4.551 -12.288 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.887 -5.667 -13.067 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.844 -4.907 -10.135 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.066 -3.997 -10.683 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.791 -3.243 -11.670 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.847 -4.487 -12.380 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.760 -6.334 -9.857 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.565 -6.933 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.303 -7.250 -10.308 1.00 0.00 H new ATOM 562 N TYR B 16 -4.041 -7.995 -13.779 1.00 0.00 N ATOM 563 CA TYR B 16 -4.557 -9.104 -14.576 1.00 0.00 C ATOM 564 C TYR B 16 -3.706 -10.368 -14.382 1.00 0.00 C ATOM 565 O TYR B 16 -4.231 -11.481 -14.376 1.00 0.00 O ATOM 566 CB TYR B 16 -4.566 -8.611 -16.041 1.00 0.00 C ATOM 567 CG TYR B 16 -5.413 -9.373 -17.042 1.00 0.00 C ATOM 568 CD1 TYR B 16 -5.194 -10.741 -17.293 1.00 0.00 C ATOM 569 CD2 TYR B 16 -6.397 -8.675 -17.772 1.00 0.00 C ATOM 570 CE1 TYR B 16 -6.007 -11.437 -18.208 1.00 0.00 C ATOM 571 CE2 TYR B 16 -7.207 -9.364 -18.697 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.026 -10.750 -18.905 1.00 0.00 C ATOM 573 OH TYR B 16 -7.815 -11.434 -19.782 1.00 0.00 O ATOM 0 H TYR B 16 -3.759 -7.209 -14.365 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.563 -9.389 -14.269 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.900 -7.573 -16.042 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.537 -8.616 -16.402 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -4.397 -11.260 -16.780 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.530 -7.614 -17.622 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.852 -12.492 -18.376 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.968 -8.831 -19.248 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.469 -10.822 -20.180 1.00 0.00 H new ATOM 583 N LEU B 17 -2.402 -10.209 -14.131 1.00 0.00 N ATOM 584 CA LEU B 17 -1.458 -11.294 -13.888 1.00 0.00 C ATOM 585 C LEU B 17 -1.510 -11.754 -12.428 1.00 0.00 C ATOM 586 O LEU B 17 -1.494 -12.946 -12.125 1.00 0.00 O ATOM 587 CB LEU B 17 -0.066 -10.733 -14.216 1.00 0.00 C ATOM 588 CG LEU B 17 1.089 -11.717 -13.995 1.00 0.00 C ATOM 589 CD1 LEU B 17 0.956 -12.995 -14.826 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.418 -11.048 -14.355 1.00 0.00 C ATOM 0 H LEU B 17 -1.965 -9.288 -14.091 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.699 -12.161 -14.503 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.056 -10.409 -15.257 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.107 -9.847 -13.605 1.00 0.00 H new ATOM 0 HG LEU B 17 1.057 -11.995 -12.942 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.804 -13.650 -14.625 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.031 -13.507 -14.561 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.938 -12.740 -15.886 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.235 -11.752 -14.196 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.400 -10.743 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.567 -10.171 -13.724 1.00 0.00 H new ATOM 602 N VAL B 18 -1.598 -10.769 -11.540 1.00 0.00 N ATOM 603 CA VAL B 18 -1.625 -10.893 -10.087 1.00 0.00 C ATOM 604 C VAL B 18 -2.906 -11.570 -9.610 1.00 0.00 C ATOM 605 O VAL B 18 -2.869 -12.411 -8.713 1.00 0.00 O ATOM 606 CB VAL B 18 -1.433 -9.485 -9.476 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.736 -9.529 -7.982 1.00 0.00 C ATOM 608 CG2 VAL B 18 0.048 -9.115 -9.691 1.00 0.00 C ATOM 0 H VAL B 18 -1.656 -9.795 -11.838 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.812 -11.536 -9.751 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.098 -8.756 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.600 -8.536 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.766 -9.852 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.059 -10.230 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL B 18 0.240 -8.125 -9.276 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.682 -9.847 -9.191 1.00 0.00 H new ATOM 0 HG23 VAL B 18 0.271 -9.111 -10.758 1.00 0.00 H new ATOM 618 N CYS B 19 -4.026 -11.271 -10.259 1.00 0.00 N ATOM 619 CA CYS B 19 -5.292 -11.942 -10.010 1.00 0.00 C ATOM 620 C CYS B 19 -5.400 -13.207 -10.870 1.00 0.00 C ATOM 621 O CYS B 19 -6.105 -14.142 -10.486 1.00 0.00 O ATOM 622 CB CYS B 19 -6.420 -10.953 -10.296 1.00 0.00 C ATOM 623 SG CYS B 19 -6.397 -9.438 -9.306 1.00 0.00 S ATOM 0 H CYS B 19 -4.079 -10.550 -10.978 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.362 -12.263 -8.971 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.380 -10.678 -11.350 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.372 -11.458 -10.134 1.00 0.00 H new ATOM 628 N GLY B 20 -4.691 -13.226 -12.006 1.00 0.00 N ATOM 629 CA GLY B 20 -4.592 -14.285 -13.017 1.00 0.00 C ATOM 630 C GLY B 20 -5.880 -14.491 -13.817 1.00 0.00 C ATOM 631 O GLY B 20 -5.920 -14.373 -15.040 1.00 0.00 O ATOM 0 H GLY B 20 -4.118 -12.423 -12.264 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.782 -14.044 -13.705 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.326 -15.221 -12.526 1.00 0.00 H new ATOM 635 N GLU B 21 -6.936 -14.800 -13.074 1.00 0.00 N ATOM 636 CA GLU B 21 -8.291 -15.149 -13.537 1.00 0.00 C ATOM 637 C GLU B 21 -9.405 -14.789 -12.527 1.00 0.00 C ATOM 638 O GLU B 21 -10.585 -14.813 -12.885 1.00 0.00 O ATOM 639 CB GLU B 21 -8.378 -16.663 -13.825 1.00 0.00 C ATOM 640 CG GLU B 21 -7.508 -17.143 -14.994 1.00 0.00 C ATOM 641 CD GLU B 21 -7.810 -18.615 -15.336 1.00 0.00 C ATOM 642 OE1 GLU B 21 -8.663 -18.880 -16.220 1.00 0.00 O ATOM 643 OE2 GLU B 21 -7.194 -19.524 -14.727 1.00 0.00 O ATOM 0 H GLU B 21 -6.872 -14.817 -12.056 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.456 -14.559 -14.438 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.088 -17.207 -12.926 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.417 -16.921 -14.033 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.689 -16.518 -15.868 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.454 -17.034 -14.737 1.00 0.00 H new ATOM 650 N ARG B 22 -9.061 -14.452 -11.269 1.00 0.00 N ATOM 651 CA ARG B 22 -10.014 -14.290 -10.146 1.00 0.00 C ATOM 652 C ARG B 22 -10.976 -13.103 -10.292 1.00 0.00 C ATOM 653 O ARG B 22 -12.069 -13.134 -9.725 1.00 0.00 O ATOM 654 CB ARG B 22 -9.217 -14.194 -8.833 1.00 0.00 C ATOM 655 CG ARG B 22 -8.574 -15.539 -8.450 1.00 0.00 C ATOM 656 CD ARG B 22 -7.703 -15.431 -7.194 1.00 0.00 C ATOM 657 NE ARG B 22 -6.399 -14.795 -7.470 1.00 0.00 N ATOM 658 CZ ARG B 22 -5.493 -14.471 -6.558 1.00 0.00 C ATOM 659 NH1 ARG B 22 -5.671 -14.626 -5.279 1.00 0.00 N ATOM 660 NH2 ARG B 22 -4.339 -13.973 -6.874 1.00 0.00 N ATOM 0 H ARG B 22 -8.093 -14.280 -10.996 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.660 -15.168 -10.146 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.440 -13.437 -8.935 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.878 -13.866 -8.031 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.357 -16.279 -8.284 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.967 -15.898 -9.281 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.233 -14.855 -6.436 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.539 -16.426 -6.781 1.00 0.00 H new ATOM 0 HE ARG B 22 -6.177 -14.588 -8.444 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.546 -15.016 -4.929 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.935 -14.357 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -4.102 -13.818 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.668 -13.736 -6.143 1.00 0.00 H new ATOM 674 N GLY B 23 -10.595 -12.084 -11.063 1.00 0.00 N ATOM 675 CA GLY B 23 -11.367 -10.856 -11.280 1.00 0.00 C ATOM 676 C GLY B 23 -10.973 -9.732 -10.315 1.00 0.00 C ATOM 677 O GLY B 23 -10.391 -9.971 -9.258 1.00 0.00 O ATOM 0 H GLY B 23 -9.711 -12.089 -11.572 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.222 -10.517 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.429 -11.074 -11.164 1.00 0.00 H new ATOM 681 N PHE B 24 -11.247 -8.495 -10.725 1.00 0.00 N ATOM 682 CA PHE B 24 -10.789 -7.233 -10.130 1.00 0.00 C ATOM 683 C PHE B 24 -11.591 -6.020 -10.637 1.00 0.00 C ATOM 684 O PHE B 24 -12.357 -6.134 -11.597 1.00 0.00 O ATOM 685 CB PHE B 24 -9.318 -7.050 -10.508 1.00 0.00 C ATOM 686 CG PHE B 24 -8.980 -7.150 -11.988 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.682 -8.403 -12.564 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.836 -5.983 -12.760 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.287 -8.485 -13.912 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.376 -6.056 -14.088 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.122 -7.310 -14.669 1.00 0.00 C ATOM 0 H PHE B 24 -11.838 -8.333 -11.541 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.931 -7.286 -9.051 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -8.992 -6.074 -10.149 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.733 -7.798 -9.973 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -8.757 -9.301 -11.969 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -9.080 -5.023 -12.330 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.111 -9.449 -14.366 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.219 -5.152 -14.658 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.800 -7.372 -15.698 1.00 0.00 H new ATOM 701 N PHE B 25 -11.383 -4.842 -10.024 1.00 0.00 N ATOM 702 CA PHE B 25 -12.109 -3.604 -10.373 1.00 0.00 C ATOM 703 C PHE B 25 -11.287 -2.540 -11.111 1.00 0.00 C ATOM 704 O PHE B 25 -11.874 -1.664 -11.745 1.00 0.00 O ATOM 705 CB PHE B 25 -12.689 -2.968 -9.099 1.00 0.00 C ATOM 706 CG PHE B 25 -13.283 -3.931 -8.094 1.00 0.00 C ATOM 707 CD1 PHE B 25 -14.460 -4.634 -8.403 1.00 0.00 C ATOM 708 CD2 PHE B 25 -12.645 -4.127 -6.859 1.00 0.00 C ATOM 709 CE1 PHE B 25 -15.006 -5.529 -7.469 1.00 0.00 C ATOM 710 CE2 PHE B 25 -13.192 -5.022 -5.923 1.00 0.00 C ATOM 711 CZ PHE B 25 -14.373 -5.719 -6.226 1.00 0.00 C ATOM 0 H PHE B 25 -10.706 -4.719 -9.271 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.884 -3.925 -11.069 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -11.899 -2.400 -8.607 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -13.460 -2.255 -9.390 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -14.944 -4.486 -9.357 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.736 -3.591 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -15.910 -6.071 -7.704 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.704 -5.174 -4.971 1.00 0.00 H new ATOM 0 HZ PHE B 25 -14.796 -6.402 -5.504 1.00 0.00 H new ATOM 721 N TYR B 26 -9.956 -2.587 -10.978 1.00 0.00 N ATOM 722 CA TYR B 26 -8.980 -1.593 -11.469 1.00 0.00 C ATOM 723 C TYR B 26 -9.283 -0.109 -11.138 1.00 0.00 C ATOM 724 O TYR B 26 -8.730 0.795 -11.764 1.00 0.00 O ATOM 725 CB TYR B 26 -8.617 -1.841 -12.945 1.00 0.00 C ATOM 726 CG TYR B 26 -9.760 -1.757 -13.933 1.00 0.00 C ATOM 727 CD1 TYR B 26 -10.456 -2.929 -14.280 1.00 0.00 C ATOM 728 CD2 TYR B 26 -10.162 -0.511 -14.454 1.00 0.00 C ATOM 729 CE1 TYR B 26 -11.585 -2.856 -15.118 1.00 0.00 C ATOM 730 CE2 TYR B 26 -11.288 -0.434 -15.297 1.00 0.00 C ATOM 731 CZ TYR B 26 -12.004 -1.604 -15.627 1.00 0.00 C ATOM 732 OH TYR B 26 -13.105 -1.510 -16.426 1.00 0.00 O ATOM 0 H TYR B 26 -9.500 -3.363 -10.498 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.084 -1.771 -10.874 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.856 -1.117 -13.238 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.165 -2.829 -13.026 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -10.124 -3.885 -13.903 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.608 0.383 -14.208 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.130 -3.753 -15.372 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -11.603 0.521 -15.691 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.245 -0.574 -16.682 1.00 0.00 H new ATOM 742 N THR B 27 -10.142 0.174 -10.150 1.00 0.00 N ATOM 743 CA THR B 27 -10.604 1.541 -9.847 1.00 0.00 C ATOM 744 C THR B 27 -9.544 2.396 -9.131 1.00 0.00 C ATOM 745 O THR B 27 -8.741 1.867 -8.355 1.00 0.00 O ATOM 746 CB THR B 27 -11.893 1.539 -9.008 1.00 0.00 C ATOM 747 OG1 THR B 27 -11.714 0.756 -7.849 1.00 0.00 O ATOM 748 CG2 THR B 27 -13.098 0.993 -9.767 1.00 0.00 C ATOM 0 H THR B 27 -10.538 -0.537 -9.536 1.00 0.00 H new ATOM 0 HA THR B 27 -10.802 1.991 -10.820 1.00 0.00 H new ATOM 0 HB THR B 27 -12.093 2.580 -8.755 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.539 0.762 -7.320 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.976 1.018 -9.122 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.280 1.605 -10.650 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.901 -0.035 -10.072 1.00 0.00 H new ATOM 756 N PRO B 28 -9.574 3.737 -9.288 1.00 0.00 N ATOM 757 CA PRO B 28 -8.757 4.652 -8.484 1.00 0.00 C ATOM 758 C PRO B 28 -9.156 4.652 -6.994 1.00 0.00 C ATOM 759 O PRO B 28 -8.349 5.024 -6.141 1.00 0.00 O ATOM 760 CB PRO B 28 -8.930 6.026 -9.139 1.00 0.00 C ATOM 761 CG PRO B 28 -10.315 5.947 -9.778 1.00 0.00 C ATOM 762 CD PRO B 28 -10.396 4.489 -10.230 1.00 0.00 C ATOM 0 HA PRO B 28 -7.711 4.345 -8.473 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.872 6.830 -8.405 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -8.156 6.216 -9.882 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -11.103 6.195 -9.067 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -10.414 6.637 -10.616 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.426 4.133 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.028 4.374 -11.249 1.00 0.00 H new ATOM 770 N LYS B 29 -10.365 4.185 -6.650 1.00 0.00 N ATOM 771 CA LYS B 29 -10.803 3.917 -5.264 1.00 0.00 C ATOM 772 C LYS B 29 -10.201 2.618 -4.694 1.00 0.00 C ATOM 773 O LYS B 29 -10.021 2.517 -3.482 1.00 0.00 O ATOM 774 CB LYS B 29 -12.341 3.937 -5.220 1.00 0.00 C ATOM 775 CG LYS B 29 -12.889 4.013 -3.783 1.00 0.00 C ATOM 776 CD LYS B 29 -14.373 4.420 -3.732 1.00 0.00 C ATOM 777 CE LYS B 29 -15.328 3.421 -4.402 1.00 0.00 C ATOM 778 NZ LYS B 29 -15.555 2.214 -3.567 1.00 0.00 N ATOM 0 H LYS B 29 -11.086 3.977 -7.341 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.424 4.703 -4.611 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.706 4.791 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.727 3.041 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.766 3.044 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.300 4.731 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.668 4.543 -2.690 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.487 5.392 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.282 3.909 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.919 3.121 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.392 1.704 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.723 1.592 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -15.708 2.499 -2.579 1.00 0.00 H new ATOM 792 N THR B 30 -9.824 1.664 -5.553 1.00 0.00 N ATOM 793 CA THR B 30 -9.085 0.409 -5.270 1.00 0.00 C ATOM 794 C THR B 30 -9.829 -0.637 -4.417 1.00 0.00 C ATOM 795 O THR B 30 -9.531 -1.831 -4.519 1.00 0.00 O ATOM 796 CB THR B 30 -7.680 0.725 -4.706 1.00 0.00 C ATOM 797 OG1 THR B 30 -7.077 1.782 -5.440 1.00 0.00 O ATOM 798 CG2 THR B 30 -6.694 -0.437 -4.758 1.00 0.00 C ATOM 0 H THR B 30 -10.041 1.748 -6.546 1.00 0.00 H new ATOM 0 HA THR B 30 -8.989 -0.085 -6.237 1.00 0.00 H new ATOM 0 HB THR B 30 -7.865 0.979 -3.662 1.00 0.00 H new ATOM 0 HG1 THR B 30 -7.134 1.588 -6.399 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.737 -0.121 -4.342 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.085 -1.272 -4.177 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.554 -0.749 -5.793 1.00 0.00 H new ATOM 806 N ARG B 31 -10.833 -0.227 -3.630 1.00 0.00 N ATOM 807 CA ARG B 31 -11.698 -1.067 -2.783 1.00 0.00 C ATOM 808 C ARG B 31 -13.176 -0.812 -3.095 1.00 0.00 C ATOM 809 O ARG B 31 -13.562 0.375 -3.192 1.00 0.00 O ATOM 810 CB ARG B 31 -11.359 -0.792 -1.305 1.00 0.00 C ATOM 811 CG ARG B 31 -12.081 -1.683 -0.275 1.00 0.00 C ATOM 812 CD ARG B 31 -11.390 -3.023 0.023 1.00 0.00 C ATOM 813 NE ARG B 31 -11.376 -3.952 -1.124 1.00 0.00 N ATOM 814 CZ ARG B 31 -10.333 -4.283 -1.865 1.00 0.00 C ATOM 815 NH1 ARG B 31 -9.163 -3.732 -1.734 1.00 0.00 N ATOM 816 NH2 ARG B 31 -10.430 -5.199 -2.778 1.00 0.00 N ATOM 817 OXT ARG B 31 -13.936 -1.795 -3.248 1.00 0.00 O ATOM 0 H ARG B 31 -11.080 0.760 -3.562 1.00 0.00 H new ATOM 0 HA ARG B 31 -11.516 -2.121 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -10.284 -0.911 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.595 0.249 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.180 -1.127 0.657 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -13.090 -1.884 -0.635 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.364 -2.831 0.336 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.894 -3.503 0.862 1.00 0.00 H new ATOM 0 HE ARG B 31 -12.266 -4.385 -1.371 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -9.017 -3.006 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -8.391 -4.025 -2.333 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -11.320 -5.674 -2.931 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -9.617 -5.444 -3.343 1.00 0.00 H new TER 831 ARG B 31