USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 18 ASN : amide:sc= 0.9 K(o=3.6,f=1.5) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -177:sc= 1.48 (180deg=0.554) USER MOD Set 1.3: B 30 THR OG1 : rot 150:sc= 1.25 USER MOD Set 2.1: A 5 GLN : amide:sc= 1.61 K(o=2.5,f=-0.061) USER MOD Set 2.2: A 15 GLN : amide:sc= 0.846 K(o=2.5,f=0.85) USER MOD Set 3.1: A 1 GLY N :NH3+ -169:sc= 0.363 (180deg=0) USER MOD Set 3.2: A 19 TYR OH : rot 30:sc= 0.337 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -131:sc= 0.00218 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.874 K(o=0.87,f=-0.17) USER MOD Single : B 1 PHE N :NH3+ 144:sc= 0.0294 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.286 K(o=0.29,f=-1.7) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : B 5 HIS : no HE2:sc= -0.0824 X(o=-0.082,f=-0.43) 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 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.532 3.319 -1.263 1.00 0.00 N ATOM 2 CA GLY A 1 -3.228 3.769 -2.641 1.00 0.00 C ATOM 3 C GLY A 1 -1.917 3.177 -3.129 1.00 0.00 C ATOM 4 O GLY A 1 -0.859 3.540 -2.622 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.509 3.579 -1.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.424 2.286 -1.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.877 3.775 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.036 3.474 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.172 4.857 -2.668 1.00 0.00 H new ATOM 10 N ILE A 2 -1.967 2.269 -4.110 1.00 0.00 N ATOM 11 CA ILE A 2 -0.817 1.447 -4.543 1.00 0.00 C ATOM 12 C ILE A 2 0.297 2.266 -5.216 1.00 0.00 C ATOM 13 O ILE A 2 1.487 2.015 -4.997 1.00 0.00 O ATOM 14 CB ILE A 2 -1.339 0.304 -5.448 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.256 -0.777 -5.642 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.893 0.834 -6.781 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.695 -1.919 -6.561 1.00 0.00 C ATOM 0 H ILE A 2 -2.818 2.077 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.343 1.022 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.180 -0.169 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.640 -0.313 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.016 -1.187 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.248 -0.001 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.719 1.518 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.105 1.361 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.114 -2.643 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.573 -2.408 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.939 -1.520 -7.546 1.00 0.00 H new ATOM 29 N VAL A 3 -0.076 3.297 -5.978 1.00 0.00 N ATOM 30 CA VAL A 3 0.859 4.249 -6.605 1.00 0.00 C ATOM 31 C VAL A 3 1.639 5.032 -5.543 1.00 0.00 C ATOM 32 O VAL A 3 2.842 5.245 -5.684 1.00 0.00 O ATOM 33 CB VAL A 3 0.089 5.149 -7.597 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.888 6.125 -6.926 1.00 0.00 C ATOM 35 CG2 VAL A 3 1.035 5.944 -8.504 1.00 0.00 C ATOM 0 H VAL A 3 -1.054 3.502 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 3 1.612 3.709 -7.179 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.497 4.450 -8.193 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.389 6.721 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.630 5.564 -6.358 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.339 6.784 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.451 6.563 -9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.675 6.581 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.653 5.254 -9.079 1.00 0.00 H new ATOM 45 N GLU A 4 0.997 5.330 -4.410 1.00 0.00 N ATOM 46 CA GLU A 4 1.598 5.943 -3.219 1.00 0.00 C ATOM 47 C GLU A 4 2.338 4.923 -2.318 1.00 0.00 C ATOM 48 O GLU A 4 2.587 5.168 -1.135 1.00 0.00 O ATOM 49 CB GLU A 4 0.518 6.763 -2.481 1.00 0.00 C ATOM 50 CG GLU A 4 1.090 7.958 -1.711 1.00 0.00 C ATOM 51 CD GLU A 4 -0.036 8.791 -1.071 1.00 0.00 C ATOM 52 OE1 GLU A 4 -0.471 8.471 0.062 1.00 0.00 O ATOM 53 OE2 GLU A 4 -0.496 9.782 -1.693 1.00 0.00 O ATOM 0 H GLU A 4 0.001 5.143 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 4 2.389 6.626 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.214 7.122 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.013 6.112 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.771 7.604 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.673 8.585 -2.386 1.00 0.00 H new ATOM 60 N GLN A 5 2.694 3.758 -2.874 1.00 0.00 N ATOM 61 CA GLN A 5 3.570 2.761 -2.253 1.00 0.00 C ATOM 62 C GLN A 5 4.729 2.320 -3.157 1.00 0.00 C ATOM 63 O GLN A 5 5.856 2.239 -2.665 1.00 0.00 O ATOM 64 CB GLN A 5 2.754 1.530 -1.806 1.00 0.00 C ATOM 65 CG GLN A 5 1.706 1.800 -0.714 1.00 0.00 C ATOM 66 CD GLN A 5 2.332 2.013 0.660 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.445 1.094 1.463 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.768 3.212 0.981 1.00 0.00 N ATOM 0 H GLN A 5 2.369 3.476 -3.799 1.00 0.00 H new ATOM 0 HA GLN A 5 4.016 3.247 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.248 1.114 -2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.445 0.768 -1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.124 2.681 -0.984 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.012 0.961 -0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.678 3.982 0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.197 3.372 1.893 1.00 0.00 H new ATOM 77 N CYS A 6 4.485 2.032 -4.446 1.00 0.00 N ATOM 78 CA CYS A 6 5.538 1.526 -5.349 1.00 0.00 C ATOM 79 C CYS A 6 6.028 2.517 -6.420 1.00 0.00 C ATOM 80 O CYS A 6 7.091 2.294 -6.999 1.00 0.00 O ATOM 81 CB CYS A 6 5.102 0.201 -5.981 1.00 0.00 C ATOM 82 SG CYS A 6 6.405 -1.057 -5.895 1.00 0.00 S ATOM 0 H CYS A 6 3.572 2.140 -4.887 1.00 0.00 H new ATOM 0 HA CYS A 6 6.409 1.371 -4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.210 -0.166 -5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.829 0.369 -7.023 1.00 0.00 H new ATOM 87 N CYS A 7 5.289 3.602 -6.683 1.00 0.00 N ATOM 88 CA CYS A 7 5.722 4.656 -7.612 1.00 0.00 C ATOM 89 C CYS A 7 6.347 5.856 -6.864 1.00 0.00 C ATOM 90 O CYS A 7 7.235 6.523 -7.400 1.00 0.00 O ATOM 91 CB CYS A 7 4.535 5.049 -8.503 1.00 0.00 C ATOM 92 SG CYS A 7 4.929 6.109 -9.920 1.00 0.00 S ATOM 0 H CYS A 7 4.377 3.775 -6.260 1.00 0.00 H new ATOM 0 HA CYS A 7 6.518 4.278 -8.254 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.066 4.138 -8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.795 5.559 -7.886 1.00 0.00 H new ATOM 97 N THR A 8 5.949 6.098 -5.604 1.00 0.00 N ATOM 98 CA THR A 8 6.550 7.129 -4.726 1.00 0.00 C ATOM 99 C THR A 8 7.751 6.614 -3.920 1.00 0.00 C ATOM 100 O THR A 8 8.686 7.371 -3.646 1.00 0.00 O ATOM 101 CB THR A 8 5.510 7.658 -3.729 1.00 0.00 C ATOM 102 OG1 THR A 8 4.920 6.577 -3.037 1.00 0.00 O ATOM 103 CG2 THR A 8 4.383 8.422 -4.422 1.00 0.00 C ATOM 0 H THR A 8 5.193 5.580 -5.157 1.00 0.00 H new ATOM 0 HA THR A 8 6.896 7.918 -5.394 1.00 0.00 H new ATOM 0 HB THR A 8 6.037 8.331 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.258 6.918 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.672 8.777 -3.676 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.798 9.273 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.874 7.762 -5.124 1.00 0.00 H new ATOM 111 N SER A 9 7.734 5.324 -3.578 1.00 0.00 N ATOM 112 CA SER A 9 8.703 4.597 -2.743 1.00 0.00 C ATOM 113 C SER A 9 8.927 3.178 -3.297 1.00 0.00 C ATOM 114 O SER A 9 8.405 2.831 -4.356 1.00 0.00 O ATOM 115 CB SER A 9 8.184 4.533 -1.296 1.00 0.00 C ATOM 116 OG SER A 9 8.107 5.829 -0.719 1.00 0.00 O ATOM 0 H SER A 9 6.986 4.710 -3.901 1.00 0.00 H new ATOM 0 HA SER A 9 9.657 5.123 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.199 4.066 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.844 3.905 -0.698 1.00 0.00 H new ATOM 0 HG SER A 9 7.773 5.759 0.200 1.00 0.00 H new ATOM 122 N ILE A 10 9.700 2.338 -2.600 1.00 0.00 N ATOM 123 CA ILE A 10 9.840 0.907 -2.911 1.00 0.00 C ATOM 124 C ILE A 10 8.818 0.106 -2.083 1.00 0.00 C ATOM 125 O ILE A 10 8.796 0.221 -0.856 1.00 0.00 O ATOM 126 CB ILE A 10 11.295 0.444 -2.674 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.345 1.296 -3.431 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.450 -1.035 -3.052 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.187 1.349 -4.956 1.00 0.00 C ATOM 0 H ILE A 10 10.253 2.633 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 10 9.626 0.728 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 10 11.490 0.581 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.306 2.315 -3.045 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.336 0.906 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.480 -1.348 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.780 -1.639 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.201 -1.170 -4.104 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.974 1.972 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.261 0.341 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.214 1.772 -5.207 1.00 0.00 H new ATOM 141 N CYS A 11 7.978 -0.697 -2.744 1.00 0.00 N ATOM 142 CA CYS A 11 6.907 -1.471 -2.102 1.00 0.00 C ATOM 143 C CYS A 11 7.308 -2.909 -1.707 1.00 0.00 C ATOM 144 O CYS A 11 8.408 -3.389 -1.995 1.00 0.00 O ATOM 145 CB CYS A 11 5.642 -1.443 -2.976 1.00 0.00 C ATOM 146 SG CYS A 11 5.677 -2.380 -4.532 1.00 0.00 S ATOM 0 H CYS A 11 8.022 -0.830 -3.754 1.00 0.00 H new ATOM 0 HA CYS A 11 6.696 -0.981 -1.151 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.811 -1.816 -2.377 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.421 -0.403 -3.215 1.00 0.00 H new ATOM 151 N SER A 12 6.383 -3.613 -1.052 1.00 0.00 N ATOM 152 CA SER A 12 6.485 -5.026 -0.670 1.00 0.00 C ATOM 153 C SER A 12 5.231 -5.782 -1.102 1.00 0.00 C ATOM 154 O SER A 12 4.130 -5.229 -1.122 1.00 0.00 O ATOM 155 CB SER A 12 6.699 -5.126 0.843 1.00 0.00 C ATOM 156 OG SER A 12 6.759 -6.477 1.251 1.00 0.00 O ATOM 0 H SER A 12 5.500 -3.195 -0.759 1.00 0.00 H new ATOM 0 HA SER A 12 7.337 -5.482 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.622 -4.616 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.887 -4.619 1.364 1.00 0.00 H new ATOM 0 HG SER A 12 6.169 -6.612 2.022 1.00 0.00 H new ATOM 162 N LEU A 13 5.379 -7.069 -1.414 1.00 0.00 N ATOM 163 CA LEU A 13 4.268 -7.948 -1.787 1.00 0.00 C ATOM 164 C LEU A 13 3.174 -8.037 -0.706 1.00 0.00 C ATOM 165 O LEU A 13 2.001 -8.199 -1.036 1.00 0.00 O ATOM 166 CB LEU A 13 4.816 -9.327 -2.200 1.00 0.00 C ATOM 167 CG LEU A 13 5.272 -10.292 -1.084 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.690 -11.617 -1.724 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.471 -9.788 -0.278 1.00 0.00 C ATOM 0 H LEU A 13 6.285 -7.538 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 13 3.763 -7.507 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.045 -9.831 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.663 -9.163 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 13 4.427 -10.390 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.015 -12.310 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.843 -12.045 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.510 -11.442 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.730 -10.521 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.321 -9.642 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.217 -8.842 0.199 1.00 0.00 H new ATOM 181 N TYR A 14 3.524 -7.814 0.566 1.00 0.00 N ATOM 182 CA TYR A 14 2.564 -7.736 1.673 1.00 0.00 C ATOM 183 C TYR A 14 1.666 -6.485 1.597 1.00 0.00 C ATOM 184 O TYR A 14 0.517 -6.524 2.042 1.00 0.00 O ATOM 185 CB TYR A 14 3.335 -7.782 2.999 1.00 0.00 C ATOM 186 CG TYR A 14 4.258 -8.985 3.158 1.00 0.00 C ATOM 187 CD1 TYR A 14 3.783 -10.287 2.910 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.600 -8.798 3.550 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.643 -11.396 3.031 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.466 -9.902 3.677 1.00 0.00 C ATOM 191 CZ TYR A 14 5.989 -11.206 3.417 1.00 0.00 C ATOM 192 OH TYR A 14 6.815 -12.279 3.538 1.00 0.00 O ATOM 0 H TYR A 14 4.492 -7.681 0.859 1.00 0.00 H new ATOM 0 HA TYR A 14 1.891 -8.590 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.928 -6.872 3.091 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.619 -7.780 3.820 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.752 -10.436 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.966 -7.803 3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.274 -12.391 2.829 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.494 -9.751 3.973 1.00 0.00 H new ATOM 0 HH TYR A 14 7.707 -11.976 3.810 1.00 0.00 H new ATOM 202 N GLN A 15 2.151 -5.403 0.973 1.00 0.00 N ATOM 203 CA GLN A 15 1.354 -4.217 0.626 1.00 0.00 C ATOM 204 C GLN A 15 0.522 -4.457 -0.644 1.00 0.00 C ATOM 205 O GLN A 15 -0.603 -3.969 -0.737 1.00 0.00 O ATOM 206 CB GLN A 15 2.249 -2.977 0.456 1.00 0.00 C ATOM 207 CG GLN A 15 3.145 -2.665 1.664 1.00 0.00 C ATOM 208 CD GLN A 15 2.354 -2.400 2.943 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.128 -3.287 3.758 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.894 -1.188 3.168 1.00 0.00 N ATOM 0 H GLN A 15 3.128 -5.325 0.689 1.00 0.00 H new ATOM 0 HA GLN A 15 0.667 -4.032 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.880 -3.118 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.616 -2.112 0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.824 -3.501 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.760 -1.794 1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.075 -0.441 2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.356 -0.995 4.013 1.00 0.00 H new ATOM 219 N LEU A 16 1.035 -5.245 -1.601 1.00 0.00 N ATOM 220 CA LEU A 16 0.307 -5.610 -2.826 1.00 0.00 C ATOM 221 C LEU A 16 -0.866 -6.574 -2.560 1.00 0.00 C ATOM 222 O LEU A 16 -1.913 -6.461 -3.202 1.00 0.00 O ATOM 223 CB LEU A 16 1.274 -6.187 -3.882 1.00 0.00 C ATOM 224 CG LEU A 16 2.418 -5.266 -4.365 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.905 -5.728 -5.737 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.027 -3.797 -4.513 1.00 0.00 C ATOM 0 H LEU A 16 1.970 -5.649 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.133 -4.693 -3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.719 -7.094 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.688 -6.483 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 16 3.184 -5.338 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.711 -5.077 -6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.271 -6.752 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.081 -5.685 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.889 -3.224 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.219 -3.707 -5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.694 -3.410 -3.550 1.00 0.00 H new ATOM 238 N GLU A 17 -0.757 -7.461 -1.564 1.00 0.00 N ATOM 239 CA GLU A 17 -1.834 -8.379 -1.151 1.00 0.00 C ATOM 240 C GLU A 17 -3.107 -7.684 -0.626 1.00 0.00 C ATOM 241 O GLU A 17 -4.174 -8.302 -0.600 1.00 0.00 O ATOM 242 CB GLU A 17 -1.310 -9.398 -0.120 1.00 0.00 C ATOM 243 CG GLU A 17 -0.578 -10.565 -0.793 1.00 0.00 C ATOM 244 CD GLU A 17 -0.203 -11.642 0.243 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.831 -11.493 0.937 1.00 0.00 O ATOM 246 OE2 GLU A 17 -0.944 -12.647 0.379 1.00 0.00 O ATOM 0 H GLU A 17 0.094 -7.566 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.140 -8.894 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.635 -8.898 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.144 -9.782 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.211 -11.001 -1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.322 -10.200 -1.287 1.00 0.00 H new ATOM 253 N ASN A 18 -3.044 -6.390 -0.289 1.00 0.00 N ATOM 254 CA ASN A 18 -4.216 -5.558 0.016 1.00 0.00 C ATOM 255 C ASN A 18 -5.226 -5.524 -1.155 1.00 0.00 C ATOM 256 O ASN A 18 -6.437 -5.498 -0.934 1.00 0.00 O ATOM 257 CB ASN A 18 -3.698 -4.137 0.315 1.00 0.00 C ATOM 258 CG ASN A 18 -4.777 -3.109 0.624 1.00 0.00 C ATOM 259 OD1 ASN A 18 -5.819 -3.389 1.201 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.563 -1.870 0.247 1.00 0.00 N ATOM 0 H ASN A 18 -2.162 -5.882 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.749 -5.976 0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.013 -4.187 1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.121 -3.789 -0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.262 -1.152 0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.698 -1.626 -0.235 1.00 0.00 H new ATOM 267 N TYR A 19 -4.733 -5.529 -2.395 1.00 0.00 N ATOM 268 CA TYR A 19 -5.527 -5.286 -3.606 1.00 0.00 C ATOM 269 C TYR A 19 -5.999 -6.574 -4.304 1.00 0.00 C ATOM 270 O TYR A 19 -6.799 -6.493 -5.234 1.00 0.00 O ATOM 271 CB TYR A 19 -4.714 -4.391 -4.563 1.00 0.00 C ATOM 272 CG TYR A 19 -4.219 -3.089 -3.951 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.001 -3.055 -3.241 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.995 -1.919 -4.046 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.593 -1.881 -2.582 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.596 -0.743 -3.376 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.404 -0.731 -2.625 1.00 0.00 C ATOM 278 OH TYR A 19 -3.040 0.389 -1.941 1.00 0.00 O ATOM 0 H TYR A 19 -3.748 -5.706 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.444 -4.778 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.855 -4.956 -4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.330 -4.157 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.377 -3.936 -3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.900 -1.921 -4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.657 -1.862 -2.043 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.204 0.147 -3.439 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.063 0.434 -1.884 1.00 0.00 H new ATOM 288 N CYS A 20 -5.540 -7.754 -3.873 1.00 0.00 N ATOM 289 CA CYS A 20 -5.920 -9.034 -4.477 1.00 0.00 C ATOM 290 C CYS A 20 -7.396 -9.401 -4.227 1.00 0.00 C ATOM 291 O CYS A 20 -7.964 -9.074 -3.180 1.00 0.00 O ATOM 292 CB CYS A 20 -4.995 -10.152 -3.984 1.00 0.00 C ATOM 293 SG CYS A 20 -3.223 -9.943 -4.305 1.00 0.00 S ATOM 0 H CYS A 20 -4.891 -7.847 -3.091 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.806 -8.921 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.136 -10.261 -2.909 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.316 -11.087 -4.443 1.00 0.00 H new ATOM 298 N ASN A 21 -7.995 -10.119 -5.186 1.00 0.00 N ATOM 299 CA ASN A 21 -9.368 -10.645 -5.121 1.00 0.00 C ATOM 300 C ASN A 21 -9.487 -11.868 -4.185 1.00 0.00 C ATOM 301 O ASN A 21 -8.869 -12.918 -4.482 1.00 0.00 O ATOM 302 CB ASN A 21 -9.815 -10.949 -6.567 1.00 0.00 C ATOM 303 CG ASN A 21 -11.229 -11.491 -6.709 1.00 0.00 C ATOM 304 OD1 ASN A 21 -12.116 -11.263 -5.898 1.00 0.00 O ATOM 305 ND2 ASN A 21 -11.487 -12.212 -7.774 1.00 0.00 N ATOM 306 OXT ASN A 21 -10.196 -11.778 -3.158 1.00 0.00 O ATOM 0 H ASN A 21 -7.523 -10.359 -6.058 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.034 -9.903 -4.680 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.733 -10.035 -7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.122 -11.670 -7.000 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.426 -12.581 -7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.749 -12.403 -8.451 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.415 -11.668 -6.263 1.00 0.00 N ATOM 315 CA PHE B 1 9.551 -10.461 -6.266 1.00 0.00 C ATOM 316 C PHE B 1 10.371 -9.204 -6.589 1.00 0.00 C ATOM 317 O PHE B 1 11.546 -9.118 -6.216 1.00 0.00 O ATOM 318 CB PHE B 1 8.792 -10.316 -4.933 1.00 0.00 C ATOM 319 CG PHE B 1 7.909 -9.084 -4.860 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.770 -8.980 -5.679 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.258 -8.014 -4.013 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.998 -7.805 -5.669 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.476 -6.846 -3.990 1.00 0.00 C ATOM 324 CZ PHE B 1 6.346 -6.739 -4.820 1.00 0.00 C ATOM 0 H1 PHE B 1 10.093 -12.324 -5.523 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.359 -12.137 -7.189 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.399 -11.390 -6.075 1.00 0.00 H new ATOM 0 HA PHE B 1 8.805 -10.580 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.176 -11.202 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.514 -10.283 -4.117 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.488 -9.805 -6.317 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.129 -8.091 -3.379 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.136 -7.721 -6.314 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.743 -6.030 -3.334 1.00 0.00 H new ATOM 0 HZ PHE B 1 5.747 -5.841 -4.806 1.00 0.00 H new ATOM 336 N VAL B 2 9.778 -8.228 -7.294 1.00 0.00 N ATOM 337 CA VAL B 2 10.411 -6.969 -7.728 1.00 0.00 C ATOM 338 C VAL B 2 9.500 -5.777 -7.435 1.00 0.00 C ATOM 339 O VAL B 2 8.278 -5.868 -7.543 1.00 0.00 O ATOM 340 CB VAL B 2 10.770 -7.028 -9.230 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.197 -5.684 -9.833 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.929 -7.998 -9.457 1.00 0.00 C ATOM 0 H VAL B 2 8.804 -8.296 -7.590 1.00 0.00 H new ATOM 0 HA VAL B 2 11.334 -6.838 -7.163 1.00 0.00 H new ATOM 0 HB VAL B 2 9.851 -7.348 -9.721 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.431 -5.817 -10.889 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.385 -4.964 -9.729 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.079 -5.314 -9.310 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.173 -8.031 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.800 -7.662 -8.895 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.642 -8.994 -9.119 1.00 0.00 H new ATOM 352 N ASN B 3 10.126 -4.660 -7.066 1.00 0.00 N ATOM 353 CA ASN B 3 9.491 -3.459 -6.521 1.00 0.00 C ATOM 354 C ASN B 3 10.168 -2.131 -6.923 1.00 0.00 C ATOM 355 O ASN B 3 9.903 -1.084 -6.328 1.00 0.00 O ATOM 356 CB ASN B 3 9.449 -3.640 -4.993 1.00 0.00 C ATOM 357 CG ASN B 3 10.795 -4.015 -4.375 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.863 -3.905 -4.969 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.785 -4.518 -3.167 1.00 0.00 N ATOM 0 H ASN B 3 11.138 -4.563 -7.142 1.00 0.00 H new ATOM 0 HA ASN B 3 8.492 -3.367 -6.947 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.097 -2.715 -4.537 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.721 -4.413 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.658 -4.813 -2.730 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.904 -4.615 -2.662 1.00 0.00 H new ATOM 366 N GLN B 4 11.055 -2.161 -7.919 1.00 0.00 N ATOM 367 CA GLN B 4 11.939 -1.049 -8.286 1.00 0.00 C ATOM 368 C GLN B 4 11.184 0.072 -9.022 1.00 0.00 C ATOM 369 O GLN B 4 11.062 0.049 -10.248 1.00 0.00 O ATOM 370 CB GLN B 4 13.131 -1.591 -9.091 1.00 0.00 C ATOM 371 CG GLN B 4 13.972 -2.585 -8.266 1.00 0.00 C ATOM 372 CD GLN B 4 15.216 -3.094 -9.000 1.00 0.00 C ATOM 373 OE1 GLN B 4 15.494 -2.773 -10.149 1.00 0.00 O ATOM 374 NE2 GLN B 4 16.019 -3.917 -8.359 1.00 0.00 N ATOM 0 H GLN B 4 11.183 -2.982 -8.510 1.00 0.00 H new ATOM 0 HA GLN B 4 12.323 -0.587 -7.377 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.767 -2.083 -9.993 1.00 0.00 H new ATOM 0 HB3 GLN B 4 13.760 -0.761 -9.413 1.00 0.00 H new ATOM 0 HG2 GLN B 4 14.280 -2.104 -7.338 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.348 -3.436 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.805 -4.196 -7.402 1.00 0.00 H new ATOM 0 HE22 GLN B 4 16.855 -4.275 -8.820 1.00 0.00 H new ATOM 383 N HIS B 5 10.670 1.040 -8.250 1.00 0.00 N ATOM 384 CA HIS B 5 9.972 2.254 -8.710 1.00 0.00 C ATOM 385 C HIS B 5 8.890 1.978 -9.779 1.00 0.00 C ATOM 386 O HIS B 5 8.838 2.607 -10.839 1.00 0.00 O ATOM 387 CB HIS B 5 10.975 3.377 -9.041 1.00 0.00 C ATOM 388 CG HIS B 5 11.972 3.073 -10.132 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.702 2.995 -11.479 1.00 0.00 N ATOM 390 CD2 HIS B 5 13.307 2.812 -9.975 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.840 2.685 -12.123 1.00 0.00 C ATOM 392 NE2 HIS B 5 13.856 2.571 -11.245 1.00 0.00 N ATOM 0 H HIS B 5 10.732 0.997 -7.233 1.00 0.00 H new ATOM 0 HA HIS B 5 9.379 2.637 -7.879 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.413 4.266 -9.327 1.00 0.00 H new ATOM 0 HB3 HIS B 5 11.524 3.626 -8.133 1.00 0.00 H new ATOM 0 HD1 HIS B 5 10.792 3.147 -11.915 1.00 0.00 H new ATOM 0 HD2 HIS B 5 13.844 2.795 -9.038 1.00 0.00 H new ATOM 0 HE1 HIS B 5 12.928 2.547 -13.191 1.00 0.00 H new ATOM 400 N LEU B 6 8.044 0.976 -9.510 1.00 0.00 N ATOM 401 CA LEU B 6 6.982 0.505 -10.401 1.00 0.00 C ATOM 402 C LEU B 6 5.879 1.561 -10.549 1.00 0.00 C ATOM 403 O LEU B 6 5.315 2.008 -9.553 1.00 0.00 O ATOM 404 CB LEU B 6 6.375 -0.795 -9.859 1.00 0.00 C ATOM 405 CG LEU B 6 7.370 -1.926 -9.570 1.00 0.00 C ATOM 406 CD1 LEU B 6 6.565 -3.147 -9.168 1.00 0.00 C ATOM 407 CD2 LEU B 6 8.254 -2.297 -10.760 1.00 0.00 C ATOM 0 H LEU B 6 8.083 0.454 -8.635 1.00 0.00 H new ATOM 0 HA LEU B 6 7.423 0.321 -11.381 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.836 -0.567 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.640 -1.158 -10.577 1.00 0.00 H new ATOM 0 HG LEU B 6 8.042 -1.579 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.241 -3.975 -8.954 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.978 -2.919 -8.278 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.896 -3.426 -9.982 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.929 -3.104 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU B 6 7.628 -2.625 -11.590 1.00 0.00 H new ATOM 0 HD23 LEU B 6 8.836 -1.428 -11.066 1.00 0.00 H new ATOM 419 N CYS B 7 5.524 1.913 -11.784 1.00 0.00 N ATOM 420 CA CYS B 7 4.458 2.870 -12.084 1.00 0.00 C ATOM 421 C CYS B 7 3.614 2.383 -13.272 1.00 0.00 C ATOM 422 O CYS B 7 4.142 1.754 -14.197 1.00 0.00 O ATOM 423 CB CYS B 7 5.074 4.249 -12.385 1.00 0.00 C ATOM 424 SG CYS B 7 6.147 4.987 -11.116 1.00 0.00 S ATOM 0 H CYS B 7 5.975 1.536 -12.617 1.00 0.00 H new ATOM 0 HA CYS B 7 3.801 2.955 -11.218 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.651 4.165 -13.306 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.259 4.945 -12.582 1.00 0.00 H new ATOM 429 N GLY B 8 2.308 2.673 -13.257 1.00 0.00 N ATOM 430 CA GLY B 8 1.374 2.287 -14.322 1.00 0.00 C ATOM 431 C GLY B 8 1.384 0.778 -14.591 1.00 0.00 C ATOM 432 O GLY B 8 1.279 -0.031 -13.665 1.00 0.00 O ATOM 0 H GLY B 8 1.864 3.188 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY B 8 0.366 2.597 -14.047 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.633 2.818 -15.238 1.00 0.00 H new ATOM 436 N SER B 9 1.565 0.392 -15.857 1.00 0.00 N ATOM 437 CA SER B 9 1.607 -1.011 -16.303 1.00 0.00 C ATOM 438 C SER B 9 2.617 -1.883 -15.542 1.00 0.00 C ATOM 439 O SER B 9 2.355 -3.066 -15.342 1.00 0.00 O ATOM 440 CB SER B 9 1.942 -1.073 -17.798 1.00 0.00 C ATOM 441 OG SER B 9 1.039 -0.270 -18.547 1.00 0.00 O ATOM 0 H SER B 9 1.690 1.057 -16.620 1.00 0.00 H new ATOM 0 HA SER B 9 0.616 -1.414 -16.096 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.964 -0.730 -17.962 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.893 -2.105 -18.145 1.00 0.00 H new ATOM 0 HG SER B 9 1.269 -0.320 -19.498 1.00 0.00 H new ATOM 447 N HIS B 10 3.730 -1.318 -15.060 1.00 0.00 N ATOM 448 CA HIS B 10 4.738 -2.049 -14.278 1.00 0.00 C ATOM 449 C HIS B 10 4.254 -2.411 -12.868 1.00 0.00 C ATOM 450 O HIS B 10 4.608 -3.459 -12.326 1.00 0.00 O ATOM 451 CB HIS B 10 6.008 -1.194 -14.184 1.00 0.00 C ATOM 452 CG HIS B 10 6.555 -0.812 -15.529 1.00 0.00 C ATOM 453 ND1 HIS B 10 6.475 0.422 -16.135 1.00 0.00 N ATOM 454 CD2 HIS B 10 7.157 -1.664 -16.409 1.00 0.00 C ATOM 455 CE1 HIS B 10 7.029 0.319 -17.357 1.00 0.00 C ATOM 456 NE2 HIS B 10 7.463 -0.940 -17.571 1.00 0.00 N ATOM 0 H HIS B 10 3.960 -0.334 -15.202 1.00 0.00 H new ATOM 0 HA HIS B 10 4.937 -2.989 -14.793 1.00 0.00 H new ATOM 0 HB2 HIS B 10 5.790 -0.290 -13.616 1.00 0.00 H new ATOM 0 HB3 HIS B 10 6.770 -1.743 -13.630 1.00 0.00 H new ATOM 0 HD2 HIS B 10 7.362 -2.711 -16.241 1.00 0.00 H new ATOM 0 HE1 HIS B 10 7.114 1.129 -18.066 1.00 0.00 H new ATOM 0 HE2 HIS B 10 7.922 -1.295 -18.410 1.00 0.00 H new ATOM 464 N LEU B 11 3.420 -1.553 -12.273 1.00 0.00 N ATOM 465 CA LEU B 11 2.830 -1.779 -10.955 1.00 0.00 C ATOM 466 C LEU B 11 1.631 -2.742 -11.058 1.00 0.00 C ATOM 467 O LEU B 11 1.480 -3.636 -10.228 1.00 0.00 O ATOM 468 CB LEU B 11 2.483 -0.400 -10.374 1.00 0.00 C ATOM 469 CG LEU B 11 1.966 -0.389 -8.929 1.00 0.00 C ATOM 470 CD1 LEU B 11 2.749 -1.318 -7.996 1.00 0.00 C ATOM 471 CD2 LEU B 11 2.058 1.046 -8.407 1.00 0.00 C ATOM 0 H LEU B 11 3.134 -0.672 -12.700 1.00 0.00 H new ATOM 0 HA LEU B 11 3.523 -2.273 -10.273 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.372 0.228 -10.425 1.00 0.00 H new ATOM 0 HB3 LEU B 11 1.729 0.062 -11.012 1.00 0.00 H new ATOM 0 HG LEU B 11 0.940 -0.756 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.331 -1.261 -6.991 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.679 -2.343 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.795 -1.012 -7.972 1.00 0.00 H new ATOM 0 HD21 LEU B 11 1.696 1.083 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU B 11 3.095 1.379 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU B 11 1.448 1.700 -9.030 1.00 0.00 H new ATOM 483 N VAL B 12 0.842 -2.636 -12.135 1.00 0.00 N ATOM 484 CA VAL B 12 -0.205 -3.610 -12.495 1.00 0.00 C ATOM 485 C VAL B 12 0.401 -5.000 -12.752 1.00 0.00 C ATOM 486 O VAL B 12 -0.139 -6.007 -12.304 1.00 0.00 O ATOM 487 CB VAL B 12 -0.987 -3.116 -13.733 1.00 0.00 C ATOM 488 CG1 VAL B 12 -2.042 -4.118 -14.216 1.00 0.00 C ATOM 489 CG2 VAL B 12 -1.734 -1.805 -13.443 1.00 0.00 C ATOM 0 H VAL B 12 0.912 -1.860 -12.793 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.897 -3.698 -11.657 1.00 0.00 H new ATOM 0 HB VAL B 12 -0.226 -2.979 -14.501 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.556 -3.713 -15.087 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.557 -5.056 -14.485 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.764 -4.298 -13.420 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.273 -1.488 -14.336 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.442 -1.962 -12.629 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.018 -1.034 -13.158 1.00 0.00 H new ATOM 499 N GLU B 13 1.562 -5.067 -13.411 1.00 0.00 N ATOM 500 CA GLU B 13 2.313 -6.305 -13.663 1.00 0.00 C ATOM 501 C GLU B 13 2.812 -6.968 -12.362 1.00 0.00 C ATOM 502 O GLU B 13 2.734 -8.191 -12.232 1.00 0.00 O ATOM 503 CB GLU B 13 3.456 -5.979 -14.644 1.00 0.00 C ATOM 504 CG GLU B 13 4.449 -7.119 -14.888 1.00 0.00 C ATOM 505 CD GLU B 13 5.381 -6.788 -16.072 1.00 0.00 C ATOM 506 OE1 GLU B 13 6.374 -6.041 -15.877 1.00 0.00 O ATOM 507 OE2 GLU B 13 5.141 -7.282 -17.201 1.00 0.00 O ATOM 0 H GLU B 13 2.019 -4.240 -13.795 1.00 0.00 H new ATOM 0 HA GLU B 13 1.654 -7.048 -14.113 1.00 0.00 H new ATOM 0 HB2 GLU B 13 3.021 -5.686 -15.600 1.00 0.00 H new ATOM 0 HB3 GLU B 13 4.004 -5.116 -14.265 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.042 -7.290 -13.989 1.00 0.00 H new ATOM 0 HG3 GLU B 13 3.907 -8.042 -15.093 1.00 0.00 H new ATOM 514 N ALA B 14 3.230 -6.188 -11.361 1.00 0.00 N ATOM 515 CA ALA B 14 3.574 -6.712 -10.038 1.00 0.00 C ATOM 516 C ALA B 14 2.335 -7.199 -9.269 1.00 0.00 C ATOM 517 O ALA B 14 2.396 -8.200 -8.555 1.00 0.00 O ATOM 518 CB ALA B 14 4.316 -5.622 -9.271 1.00 0.00 C ATOM 0 H ALA B 14 3.339 -5.177 -11.446 1.00 0.00 H new ATOM 0 HA ALA B 14 4.215 -7.586 -10.153 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.582 -5.991 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.222 -5.349 -9.812 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.675 -4.746 -9.171 1.00 0.00 H new ATOM 524 N LEU B 15 1.189 -6.544 -9.459 1.00 0.00 N ATOM 525 CA LEU B 15 -0.079 -6.961 -8.866 1.00 0.00 C ATOM 526 C LEU B 15 -0.582 -8.279 -9.471 1.00 0.00 C ATOM 527 O LEU B 15 -1.029 -9.158 -8.735 1.00 0.00 O ATOM 528 CB LEU B 15 -1.086 -5.806 -9.012 1.00 0.00 C ATOM 529 CG LEU B 15 -2.050 -5.633 -7.826 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.298 -5.485 -6.502 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.857 -4.364 -8.081 1.00 0.00 C ATOM 0 H LEU B 15 1.116 -5.704 -10.033 1.00 0.00 H new ATOM 0 HA LEU B 15 0.056 -7.171 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.533 -4.877 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.672 -5.966 -9.917 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.686 -6.514 -7.747 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.014 -5.365 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.694 -6.375 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.650 -4.610 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -3.555 -4.205 -7.259 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.182 -3.512 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.412 -4.467 -9.014 1.00 0.00 H new ATOM 543 N TYR B 16 -0.413 -8.480 -10.782 1.00 0.00 N ATOM 544 CA TYR B 16 -0.653 -9.770 -11.434 1.00 0.00 C ATOM 545 C TYR B 16 0.309 -10.867 -10.935 1.00 0.00 C ATOM 546 O TYR B 16 -0.112 -12.004 -10.722 1.00 0.00 O ATOM 547 CB TYR B 16 -0.548 -9.600 -12.955 1.00 0.00 C ATOM 548 CG TYR B 16 -0.863 -10.872 -13.723 1.00 0.00 C ATOM 549 CD1 TYR B 16 -2.192 -11.337 -13.803 1.00 0.00 C ATOM 550 CD2 TYR B 16 0.175 -11.613 -14.324 1.00 0.00 C ATOM 551 CE1 TYR B 16 -2.488 -12.534 -14.483 1.00 0.00 C ATOM 552 CE2 TYR B 16 -0.118 -12.809 -15.007 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.447 -13.274 -15.088 1.00 0.00 C ATOM 554 OH TYR B 16 -1.717 -14.434 -15.747 1.00 0.00 O ATOM 0 H TYR B 16 -0.105 -7.749 -11.423 1.00 0.00 H new ATOM 0 HA TYR B 16 -1.659 -10.099 -11.172 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.231 -8.812 -13.274 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.460 -9.270 -13.208 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.987 -10.772 -13.340 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.195 -11.263 -14.261 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.507 -12.886 -14.542 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.678 -13.372 -15.471 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.884 -14.810 -16.102 1.00 0.00 H new ATOM 564 N LEU B 17 1.579 -10.536 -10.677 1.00 0.00 N ATOM 565 CA LEU B 17 2.578 -11.481 -10.162 1.00 0.00 C ATOM 566 C LEU B 17 2.247 -11.965 -8.734 1.00 0.00 C ATOM 567 O LEU B 17 2.473 -13.129 -8.407 1.00 0.00 O ATOM 568 CB LEU B 17 3.966 -10.816 -10.244 1.00 0.00 C ATOM 569 CG LEU B 17 5.152 -11.690 -9.793 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.329 -12.926 -10.679 1.00 0.00 C ATOM 571 CD2 LEU B 17 6.440 -10.868 -9.842 1.00 0.00 C ATOM 0 H LEU B 17 1.947 -9.595 -10.821 1.00 0.00 H new ATOM 0 HA LEU B 17 2.571 -12.381 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.139 -10.504 -11.274 1.00 0.00 H new ATOM 0 HB3 LEU B 17 3.952 -9.912 -9.635 1.00 0.00 H new ATOM 0 HG LEU B 17 4.940 -12.025 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.177 -13.511 -10.322 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.426 -13.535 -10.639 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.511 -12.614 -11.707 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.279 -11.487 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.612 -10.521 -10.861 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.349 -10.009 -9.177 1.00 0.00 H new ATOM 583 N VAL B 18 1.684 -11.086 -7.899 1.00 0.00 N ATOM 584 CA VAL B 18 1.306 -11.385 -6.504 1.00 0.00 C ATOM 585 C VAL B 18 -0.083 -12.029 -6.394 1.00 0.00 C ATOM 586 O VAL B 18 -0.243 -13.013 -5.667 1.00 0.00 O ATOM 587 CB VAL B 18 1.429 -10.111 -5.642 1.00 0.00 C ATOM 588 CG1 VAL B 18 0.851 -10.267 -4.230 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.911 -9.742 -5.487 1.00 0.00 C ATOM 0 H VAL B 18 1.472 -10.127 -8.174 1.00 0.00 H new ATOM 0 HA VAL B 18 2.002 -12.130 -6.119 1.00 0.00 H new ATOM 0 HB VAL B 18 0.859 -9.341 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL B 18 0.972 -9.333 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -0.209 -10.514 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL B 18 1.378 -11.065 -3.707 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.000 -8.842 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.441 -10.562 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.345 -9.560 -6.470 1.00 0.00 H new ATOM 599 N CYS B 19 -1.086 -11.520 -7.115 1.00 0.00 N ATOM 600 CA CYS B 19 -2.479 -11.978 -7.004 1.00 0.00 C ATOM 601 C CYS B 19 -2.835 -13.144 -7.951 1.00 0.00 C ATOM 602 O CYS B 19 -3.826 -13.842 -7.718 1.00 0.00 O ATOM 603 CB CYS B 19 -3.415 -10.786 -7.238 1.00 0.00 C ATOM 604 SG CYS B 19 -3.096 -9.306 -6.234 1.00 0.00 S ATOM 0 H CYS B 19 -0.956 -10.773 -7.798 1.00 0.00 H new ATOM 0 HA CYS B 19 -2.606 -12.377 -5.998 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.356 -10.506 -8.290 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.438 -11.112 -7.052 1.00 0.00 H new ATOM 609 N GLY B 20 -2.044 -13.376 -9.006 1.00 0.00 N ATOM 610 CA GLY B 20 -2.210 -14.492 -9.943 1.00 0.00 C ATOM 611 C GLY B 20 -3.517 -14.470 -10.745 1.00 0.00 C ATOM 612 O GLY B 20 -4.140 -13.423 -10.949 1.00 0.00 O ATOM 0 H GLY B 20 -1.251 -12.777 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.372 -14.490 -10.640 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.158 -15.427 -9.385 1.00 0.00 H new ATOM 616 N GLU B 21 -3.962 -15.651 -11.179 1.00 0.00 N ATOM 617 CA GLU B 21 -5.132 -15.863 -12.051 1.00 0.00 C ATOM 618 C GLU B 21 -6.496 -15.691 -11.344 1.00 0.00 C ATOM 619 O GLU B 21 -7.532 -16.146 -11.839 1.00 0.00 O ATOM 620 CB GLU B 21 -5.019 -17.227 -12.761 1.00 0.00 C ATOM 621 CG GLU B 21 -3.770 -17.334 -13.652 1.00 0.00 C ATOM 622 CD GLU B 21 -3.747 -18.678 -14.406 1.00 0.00 C ATOM 623 OE1 GLU B 21 -3.216 -19.676 -13.861 1.00 0.00 O ATOM 624 OE2 GLU B 21 -4.257 -18.745 -15.552 1.00 0.00 O ATOM 0 H GLU B 21 -3.502 -16.525 -10.925 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.112 -15.067 -12.795 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -4.995 -18.020 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -5.909 -17.389 -13.369 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.756 -16.511 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.873 -17.240 -13.040 1.00 0.00 H new ATOM 631 N ARG B 22 -6.524 -15.057 -10.164 1.00 0.00 N ATOM 632 CA ARG B 22 -7.738 -14.607 -9.450 1.00 0.00 C ATOM 633 C ARG B 22 -7.998 -13.103 -9.601 1.00 0.00 C ATOM 634 O ARG B 22 -9.120 -12.667 -9.356 1.00 0.00 O ATOM 635 CB ARG B 22 -7.660 -15.020 -7.966 1.00 0.00 C ATOM 636 CG ARG B 22 -7.460 -16.527 -7.685 1.00 0.00 C ATOM 637 CD ARG B 22 -8.625 -17.434 -8.108 1.00 0.00 C ATOM 638 NE ARG B 22 -8.723 -17.575 -9.574 1.00 0.00 N ATOM 639 CZ ARG B 22 -9.575 -18.302 -10.267 1.00 0.00 C ATOM 640 NH1 ARG B 22 -10.444 -19.094 -9.707 1.00 0.00 N ATOM 641 NH2 ARG B 22 -9.554 -18.222 -11.564 1.00 0.00 N ATOM 0 H ARG B 22 -5.669 -14.832 -9.656 1.00 0.00 H new ATOM 0 HA ARG B 22 -8.591 -15.103 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -6.840 -14.473 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -8.577 -14.699 -7.473 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.558 -16.859 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.286 -16.661 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -8.497 -18.419 -7.658 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.559 -17.026 -7.721 1.00 0.00 H new ATOM 0 HE ARG B 22 -8.045 -17.042 -10.119 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -10.484 -19.170 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.085 -19.638 -10.285 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -8.886 -17.605 -12.026 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.205 -18.776 -12.120 1.00 0.00 H new ATOM 655 N GLY B 23 -7.008 -12.324 -10.050 1.00 0.00 N ATOM 656 CA GLY B 23 -7.133 -10.883 -10.305 1.00 0.00 C ATOM 657 C GLY B 23 -7.076 -9.996 -9.056 1.00 0.00 C ATOM 658 O GLY B 23 -6.785 -10.447 -7.944 1.00 0.00 O ATOM 0 H GLY B 23 -6.076 -12.685 -10.251 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.337 -10.579 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -8.077 -10.701 -10.819 1.00 0.00 H new ATOM 662 N PHE B 24 -7.318 -8.699 -9.256 1.00 0.00 N ATOM 663 CA PHE B 24 -7.121 -7.628 -8.271 1.00 0.00 C ATOM 664 C PHE B 24 -8.031 -6.415 -8.539 1.00 0.00 C ATOM 665 O PHE B 24 -8.579 -6.256 -9.634 1.00 0.00 O ATOM 666 CB PHE B 24 -5.637 -7.210 -8.287 1.00 0.00 C ATOM 667 CG PHE B 24 -5.060 -6.966 -9.671 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.331 -5.764 -10.355 1.00 0.00 C ATOM 669 CD2 PHE B 24 -4.290 -7.966 -10.297 1.00 0.00 C ATOM 670 CE1 PHE B 24 -4.850 -5.571 -11.661 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.820 -7.775 -11.608 1.00 0.00 C ATOM 672 CZ PHE B 24 -4.105 -6.580 -12.289 1.00 0.00 C ATOM 0 H PHE B 24 -7.672 -8.349 -10.146 1.00 0.00 H new ATOM 0 HA PHE B 24 -7.394 -8.007 -7.286 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.523 -6.301 -7.696 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.050 -7.986 -7.795 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.910 -4.989 -9.874 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.061 -8.880 -9.769 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.054 -4.647 -12.181 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.240 -8.547 -12.092 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.750 -6.438 -13.299 1.00 0.00 H new ATOM 682 N PHE B 25 -8.144 -5.532 -7.543 1.00 0.00 N ATOM 683 CA PHE B 25 -8.893 -4.275 -7.586 1.00 0.00 C ATOM 684 C PHE B 25 -7.923 -3.092 -7.422 1.00 0.00 C ATOM 685 O PHE B 25 -7.614 -2.665 -6.308 1.00 0.00 O ATOM 686 CB PHE B 25 -9.989 -4.309 -6.507 1.00 0.00 C ATOM 687 CG PHE B 25 -10.961 -5.468 -6.652 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.929 -5.450 -7.673 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.895 -6.562 -5.768 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.827 -6.523 -7.816 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.799 -7.630 -5.905 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.765 -7.613 -6.929 1.00 0.00 C ATOM 0 H PHE B 25 -7.693 -5.683 -6.641 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.387 -4.146 -8.549 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.517 -4.364 -5.526 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -10.547 -3.373 -6.541 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.983 -4.610 -8.349 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.151 -6.581 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.563 -6.510 -8.606 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.752 -8.466 -5.223 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.457 -8.435 -7.033 1.00 0.00 H new ATOM 702 N TYR B 26 -7.394 -2.582 -8.537 1.00 0.00 N ATOM 703 CA TYR B 26 -6.404 -1.498 -8.540 1.00 0.00 C ATOM 704 C TYR B 26 -6.992 -0.204 -7.935 1.00 0.00 C ATOM 705 O TYR B 26 -8.129 0.166 -8.240 1.00 0.00 O ATOM 706 CB TYR B 26 -5.884 -1.296 -9.973 1.00 0.00 C ATOM 707 CG TYR B 26 -4.569 -0.542 -10.077 1.00 0.00 C ATOM 708 CD1 TYR B 26 -3.351 -1.252 -10.046 1.00 0.00 C ATOM 709 CD2 TYR B 26 -4.554 0.858 -10.240 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.124 -0.572 -10.173 1.00 0.00 C ATOM 711 CE2 TYR B 26 -3.329 1.542 -10.370 1.00 0.00 C ATOM 712 CZ TYR B 26 -2.111 0.828 -10.341 1.00 0.00 C ATOM 713 OH TYR B 26 -0.923 1.483 -10.477 1.00 0.00 O ATOM 0 H TYR B 26 -7.641 -2.911 -9.470 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.560 -1.770 -7.906 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.764 -2.273 -10.441 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.640 -0.759 -10.546 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.359 -2.325 -9.924 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.483 1.408 -10.265 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -1.195 -1.122 -10.142 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -3.322 2.615 -10.492 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.089 2.443 -10.585 1.00 0.00 H new ATOM 723 N THR B 27 -6.228 0.457 -7.052 1.00 0.00 N ATOM 724 CA THR B 27 -6.597 1.709 -6.341 1.00 0.00 C ATOM 725 C THR B 27 -7.973 1.712 -5.647 1.00 0.00 C ATOM 726 O THR B 27 -8.649 2.742 -5.567 1.00 0.00 O ATOM 727 CB THR B 27 -6.348 2.982 -7.181 1.00 0.00 C ATOM 728 OG1 THR B 27 -6.925 2.930 -8.470 1.00 0.00 O ATOM 729 CG2 THR B 27 -4.849 3.199 -7.364 1.00 0.00 C ATOM 0 H THR B 27 -5.297 0.128 -6.798 1.00 0.00 H new ATOM 0 HA THR B 27 -5.893 1.733 -5.509 1.00 0.00 H new ATOM 0 HB THR B 27 -6.816 3.796 -6.627 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.733 3.764 -8.948 1.00 0.00 H new ATOM 0 HG21 THR B 27 -4.681 4.098 -7.957 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.376 3.314 -6.389 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.417 2.340 -7.877 1.00 0.00 H new ATOM 737 N LYS B 28 -8.387 0.560 -5.102 1.00 0.00 N ATOM 738 CA LYS B 28 -9.619 0.431 -4.290 1.00 0.00 C ATOM 739 C LYS B 28 -9.491 1.094 -2.897 1.00 0.00 C ATOM 740 O LYS B 28 -8.360 1.293 -2.434 1.00 0.00 O ATOM 741 CB LYS B 28 -10.110 -1.036 -4.245 1.00 0.00 C ATOM 742 CG LYS B 28 -9.714 -1.885 -3.022 1.00 0.00 C ATOM 743 CD LYS B 28 -8.205 -2.113 -2.877 1.00 0.00 C ATOM 744 CE LYS B 28 -7.842 -2.912 -1.618 1.00 0.00 C ATOM 745 NZ LYS B 28 -8.023 -2.150 -0.353 1.00 0.00 N ATOM 0 H LYS B 28 -7.878 -0.318 -5.209 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.403 0.999 -4.790 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.198 -1.028 -4.310 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -9.741 -1.541 -5.138 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.085 -1.398 -2.120 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.211 -2.853 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.836 -2.642 -3.756 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.698 -1.149 -2.849 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.455 -3.812 -1.580 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -6.804 -3.236 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.712 -2.732 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.457 -1.278 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.027 -1.906 -0.235 1.00 0.00 H new ATOM 759 N PRO B 29 -10.602 1.406 -2.201 1.00 0.00 N ATOM 760 CA PRO B 29 -10.572 1.957 -0.842 1.00 0.00 C ATOM 761 C PRO B 29 -9.813 1.067 0.161 1.00 0.00 C ATOM 762 O PRO B 29 -9.960 -0.160 0.156 1.00 0.00 O ATOM 763 CB PRO B 29 -12.039 2.143 -0.436 1.00 0.00 C ATOM 764 CG PRO B 29 -12.759 2.296 -1.770 1.00 0.00 C ATOM 765 CD PRO B 29 -11.978 1.349 -2.677 1.00 0.00 C ATOM 0 HA PRO B 29 -10.023 2.899 -0.830 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.412 1.287 0.126 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.173 3.021 0.196 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.810 2.015 -1.699 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.728 3.323 -2.133 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.372 0.335 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.046 1.658 -3.720 1.00 0.00 H new ATOM 773 N THR B 30 -9.001 1.688 1.023 1.00 0.00 N ATOM 774 CA THR B 30 -8.172 1.034 2.062 1.00 0.00 C ATOM 775 C THR B 30 -8.267 1.796 3.385 1.00 0.00 C ATOM 776 O THR B 30 -7.978 3.016 3.401 1.00 0.00 O ATOM 777 CB THR B 30 -6.706 0.926 1.625 1.00 0.00 C ATOM 778 OG1 THR B 30 -6.627 0.267 0.378 1.00 0.00 O ATOM 779 CG2 THR B 30 -5.859 0.115 2.606 1.00 0.00 C ATOM 780 OXT THR B 30 -8.658 1.182 4.405 1.00 0.00 O ATOM 0 H THR B 30 -8.893 2.702 1.022 1.00 0.00 H new ATOM 0 HA THR B 30 -8.560 0.025 2.203 1.00 0.00 H new ATOM 0 HB THR B 30 -6.325 1.946 1.577 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.848 0.596 -0.117 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.830 0.070 2.248 1.00 0.00 H new ATOM 0 HG22 THR B 30 -5.882 0.591 3.586 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.260 -0.895 2.684 1.00 0.00 H new TER 788 THR B 30