USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 476 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 Single : A 1 THR N :NH3+ 148:sc= -0.0452 (180deg=-0.34) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= -1.41! USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 156:sc= -0.0559 (180deg=-0.671) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc=-0.00848 (180deg=-0.24) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= 0.978 (180deg=0.481) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 143:sc= -0.476 (180deg=-0.886) USER MOD Single : A 35 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0064 USER MOD Single : A 44 THR OG1 : rot 74:sc= 0.997 USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= 0.165 (180deg=0.0819) USER MOD Single : A 51 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 53 THR OG1 : rot -59:sc= 0.0069 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.892 25.195 -2.076 1.00 0.00 N ATOM 2 CA THR A 1 7.651 24.391 -2.219 1.00 0.00 C ATOM 3 C THR A 1 7.900 23.140 -3.049 1.00 0.00 C ATOM 4 O THR A 1 8.578 23.191 -4.075 1.00 0.00 O ATOM 5 CB THR A 1 6.581 25.269 -2.880 1.00 0.00 C ATOM 6 OG1 THR A 1 5.380 24.539 -3.063 1.00 0.00 O ATOM 7 CG2 THR A 1 6.997 25.796 -4.238 1.00 0.00 C ATOM 0 H1 THR A 1 8.647 26.204 -2.019 1.00 0.00 H new ATOM 0 H2 THR A 1 9.392 24.911 -1.209 1.00 0.00 H new ATOM 0 H3 THR A 1 9.507 25.034 -2.899 1.00 0.00 H new ATOM 0 HA THR A 1 7.314 24.065 -1.235 1.00 0.00 H new ATOM 0 HB THR A 1 6.439 26.111 -2.203 1.00 0.00 H new ATOM 0 HG1 THR A 1 4.708 25.115 -3.484 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.196 26.409 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 1 7.899 26.399 -4.134 1.00 0.00 H new ATOM 0 HG23 THR A 1 7.196 24.959 -4.908 1.00 0.00 H new ATOM 17 N THR A 2 7.347 22.014 -2.602 1.00 0.00 N ATOM 18 CA THR A 2 7.511 20.755 -3.299 1.00 0.00 C ATOM 19 C THR A 2 6.268 19.882 -3.146 1.00 0.00 C ATOM 20 O THR A 2 5.770 19.677 -2.040 1.00 0.00 O ATOM 21 CB THR A 2 8.736 20.005 -2.775 1.00 0.00 C ATOM 22 OG1 THR A 2 8.996 20.361 -1.428 1.00 0.00 O ATOM 23 CG2 THR A 2 9.994 20.270 -3.571 1.00 0.00 C ATOM 0 H THR A 2 6.780 21.956 -1.756 1.00 0.00 H new ATOM 0 HA THR A 2 7.655 20.976 -4.357 1.00 0.00 H new ATOM 0 HB THR A 2 8.489 18.948 -2.869 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.782 19.872 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.822 19.705 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 2 9.842 19.962 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.227 21.334 -3.540 1.00 0.00 H new ATOM 31 N TYR A 3 5.771 19.378 -4.271 1.00 0.00 N ATOM 32 CA TYR A 3 4.584 18.532 -4.268 1.00 0.00 C ATOM 33 C TYR A 3 4.970 17.052 -4.323 1.00 0.00 C ATOM 34 O TYR A 3 4.340 16.258 -5.023 1.00 0.00 O ATOM 35 CB TYR A 3 3.676 18.878 -5.444 1.00 0.00 C ATOM 36 CG TYR A 3 4.359 18.769 -6.790 1.00 0.00 C ATOM 37 CD1 TYR A 3 5.067 19.844 -7.321 1.00 0.00 C ATOM 38 CD2 TYR A 3 4.296 17.598 -7.531 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.692 19.746 -8.549 1.00 0.00 C ATOM 40 CE2 TYR A 3 4.919 17.489 -8.757 1.00 0.00 C ATOM 41 CZ TYR A 3 5.615 18.566 -9.262 1.00 0.00 C ATOM 42 OH TYR A 3 6.236 18.469 -10.487 1.00 0.00 O ATOM 0 H TYR A 3 6.171 19.541 -5.195 1.00 0.00 H new ATOM 0 HA TYR A 3 4.043 18.715 -3.340 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.810 18.216 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.302 19.894 -5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.128 20.768 -6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.748 16.754 -7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.238 20.588 -8.949 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.862 16.567 -9.317 1.00 0.00 H new ATOM 0 HH TYR A 3 6.088 17.574 -10.859 1.00 0.00 H new ATOM 52 N LYS A 4 6.012 16.693 -3.584 1.00 0.00 N ATOM 53 CA LYS A 4 6.486 15.315 -3.551 1.00 0.00 C ATOM 54 C LYS A 4 7.149 14.996 -2.211 1.00 0.00 C ATOM 55 O LYS A 4 8.372 14.887 -2.126 1.00 0.00 O ATOM 56 CB LYS A 4 7.468 15.054 -4.694 1.00 0.00 C ATOM 57 CG LYS A 4 7.595 13.587 -5.071 1.00 0.00 C ATOM 58 CD LYS A 4 8.807 12.950 -4.418 1.00 0.00 C ATOM 59 CE LYS A 4 8.405 12.042 -3.260 1.00 0.00 C ATOM 60 NZ LYS A 4 7.651 10.846 -3.727 1.00 0.00 N ATOM 0 H LYS A 4 6.545 17.337 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 4 5.621 14.663 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.149 15.618 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.450 15.433 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.694 13.053 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.672 13.494 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.360 12.373 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.478 13.729 -4.055 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.298 11.721 -2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.793 12.604 -2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.746 10.081 -3.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.646 11.091 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.034 10.529 -4.641 1.00 0.00 H new ATOM 74 N LEU A 5 6.333 14.856 -1.172 1.00 0.00 N ATOM 75 CA LEU A 5 6.841 14.547 0.160 1.00 0.00 C ATOM 76 C LEU A 5 5.896 13.614 0.899 1.00 0.00 C ATOM 77 O LEU A 5 6.329 12.633 1.508 1.00 0.00 O ATOM 78 CB LEU A 5 7.028 15.843 0.956 1.00 0.00 C ATOM 79 CG LEU A 5 7.913 16.902 0.292 1.00 0.00 C ATOM 80 CD1 LEU A 5 7.065 18.027 -0.277 1.00 0.00 C ATOM 81 CD2 LEU A 5 8.935 17.440 1.282 1.00 0.00 C ATOM 0 H LEU A 5 5.319 14.951 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 5 7.802 14.044 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.047 16.279 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.456 15.594 1.927 1.00 0.00 H new ATOM 0 HG LEU A 5 8.452 16.435 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.712 18.769 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.378 17.624 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.496 18.496 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.555 18.191 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.418 17.891 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.565 16.623 1.635 1.00 0.00 H new ATOM 93 N ILE A 6 4.602 13.915 0.850 1.00 0.00 N ATOM 94 CA ILE A 6 3.599 13.097 1.521 1.00 0.00 C ATOM 95 C ILE A 6 3.266 11.861 0.697 1.00 0.00 C ATOM 96 O ILE A 6 3.240 11.905 -0.530 1.00 0.00 O ATOM 97 CB ILE A 6 2.298 13.886 1.782 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.873 14.652 0.521 1.00 0.00 C ATOM 99 CG2 ILE A 6 2.479 14.835 2.953 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.407 14.485 0.187 1.00 0.00 C ATOM 0 H ILE A 6 4.224 14.721 0.352 1.00 0.00 H new ATOM 0 HA ILE A 6 4.028 12.798 2.477 1.00 0.00 H new ATOM 0 HB ILE A 6 1.508 13.179 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.089 15.712 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.472 14.310 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.553 15.383 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.733 14.265 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.281 15.538 2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.172 15.051 -0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.190 13.430 0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.199 14.853 1.015 1.00 0.00 H new ATOM 112 N LEU A 7 3.017 10.752 1.383 1.00 0.00 N ATOM 113 CA LEU A 7 2.688 9.497 0.716 1.00 0.00 C ATOM 114 C LEU A 7 2.237 8.446 1.726 1.00 0.00 C ATOM 115 O LEU A 7 2.025 8.750 2.899 1.00 0.00 O ATOM 116 CB LEU A 7 3.896 8.985 -0.073 1.00 0.00 C ATOM 117 CG LEU A 7 3.799 9.150 -1.589 1.00 0.00 C ATOM 118 CD1 LEU A 7 5.186 9.206 -2.211 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.980 8.028 -2.203 1.00 0.00 C ATOM 0 H LEU A 7 3.037 10.696 2.401 1.00 0.00 H new ATOM 0 HA LEU A 7 1.866 9.683 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.786 9.507 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.036 7.928 0.153 1.00 0.00 H new ATOM 0 HG LEU A 7 3.292 10.092 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.096 9.324 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.736 10.052 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.721 8.283 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.925 8.167 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.453 7.071 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.974 8.040 -1.784 1.00 0.00 H new ATOM 131 N ASN A 8 2.092 7.209 1.261 1.00 0.00 N ATOM 132 CA ASN A 8 1.667 6.112 2.125 1.00 0.00 C ATOM 133 C ASN A 8 2.195 4.780 1.603 1.00 0.00 C ATOM 134 O ASN A 8 1.521 3.754 1.686 1.00 0.00 O ATOM 135 CB ASN A 8 0.140 6.067 2.220 1.00 0.00 C ATOM 136 CG ASN A 8 -0.341 5.670 3.601 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.385 4.488 3.939 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.707 6.660 4.408 1.00 0.00 N ATOM 0 H ASN A 8 2.262 6.941 0.292 1.00 0.00 H new ATOM 0 HA ASN A 8 2.078 6.285 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.266 7.046 1.964 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.246 5.360 1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.041 6.454 5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.654 7.626 4.086 1.00 0.00 H new ATOM 145 N LEU A 9 3.405 4.812 1.057 1.00 0.00 N ATOM 146 CA LEU A 9 4.036 3.626 0.509 1.00 0.00 C ATOM 147 C LEU A 9 4.750 2.830 1.598 1.00 0.00 C ATOM 148 O LEU A 9 4.585 1.616 1.705 1.00 0.00 O ATOM 149 CB LEU A 9 5.023 4.061 -0.567 1.00 0.00 C ATOM 150 CG LEU A 9 5.882 2.955 -1.167 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.329 3.359 -2.561 1.00 0.00 C ATOM 152 CD2 LEU A 9 7.081 2.663 -0.276 1.00 0.00 C ATOM 0 H LEU A 9 3.970 5.658 0.984 1.00 0.00 H new ATOM 0 HA LEU A 9 3.275 2.976 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.466 4.539 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.683 4.818 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 9 5.291 2.042 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.944 2.567 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.454 3.521 -3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.910 4.279 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.682 1.870 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.687 3.564 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.735 2.346 0.708 1.00 0.00 H new ATOM 164 N LYS A 10 5.544 3.529 2.403 1.00 0.00 N ATOM 165 CA LYS A 10 6.288 2.903 3.490 1.00 0.00 C ATOM 166 C LYS A 10 5.361 2.086 4.384 1.00 0.00 C ATOM 167 O LYS A 10 5.744 1.035 4.897 1.00 0.00 O ATOM 168 CB LYS A 10 7.006 3.968 4.321 1.00 0.00 C ATOM 169 CG LYS A 10 7.977 3.393 5.340 1.00 0.00 C ATOM 170 CD LYS A 10 9.023 4.413 5.742 1.00 0.00 C ATOM 171 CE LYS A 10 10.008 3.837 6.752 1.00 0.00 C ATOM 172 NZ LYS A 10 10.761 2.680 6.181 1.00 0.00 N ATOM 0 H LYS A 10 5.689 4.535 2.322 1.00 0.00 H new ATOM 0 HA LYS A 10 7.027 2.231 3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.548 4.635 3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.263 4.573 4.841 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.428 3.065 6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.466 2.513 4.923 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.563 4.749 4.857 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.533 5.288 6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.709 4.612 7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.471 3.518 7.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 11.576 2.462 6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.136 1.850 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.096 2.921 5.226 1.00 0.00 H new ATOM 186 N GLN A 11 4.140 2.577 4.562 1.00 0.00 N ATOM 187 CA GLN A 11 3.156 1.892 5.390 1.00 0.00 C ATOM 188 C GLN A 11 2.381 0.871 4.568 1.00 0.00 C ATOM 189 O GLN A 11 1.985 -0.180 5.074 1.00 0.00 O ATOM 190 CB GLN A 11 2.197 2.904 6.023 1.00 0.00 C ATOM 191 CG GLN A 11 2.173 2.853 7.541 1.00 0.00 C ATOM 192 CD GLN A 11 0.770 2.986 8.098 1.00 0.00 C ATOM 193 OE1 GLN A 11 -0.105 2.174 7.828 1.00 0.00 O ATOM 194 NE2 GLN A 11 0.556 4.028 8.898 1.00 0.00 N ATOM 0 H GLN A 11 3.808 3.446 4.144 1.00 0.00 H new ATOM 0 HA GLN A 11 3.683 1.365 6.185 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.480 3.908 5.706 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.190 2.723 5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.608 1.912 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.797 3.653 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.313 4.682 9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.365 4.173 9.312 1.00 0.00 H new ATOM 203 N ALA A 12 2.176 1.181 3.295 1.00 0.00 N ATOM 204 CA ALA A 12 1.462 0.284 2.401 1.00 0.00 C ATOM 205 C ALA A 12 2.169 -1.061 2.327 1.00 0.00 C ATOM 206 O ALA A 12 1.530 -2.109 2.272 1.00 0.00 O ATOM 207 CB ALA A 12 1.342 0.902 1.014 1.00 0.00 C ATOM 0 H ALA A 12 2.494 2.047 2.860 1.00 0.00 H new ATOM 0 HA ALA A 12 0.458 0.125 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.805 0.218 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.797 1.844 1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.338 1.087 0.611 1.00 0.00 H new ATOM 213 N LYS A 13 3.499 -1.017 2.334 1.00 0.00 N ATOM 214 CA LYS A 13 4.302 -2.233 2.273 1.00 0.00 C ATOM 215 C LYS A 13 4.503 -2.828 3.667 1.00 0.00 C ATOM 216 O LYS A 13 4.526 -4.047 3.824 1.00 0.00 O ATOM 217 CB LYS A 13 5.643 -1.969 1.562 1.00 0.00 C ATOM 218 CG LYS A 13 6.815 -1.609 2.468 1.00 0.00 C ATOM 219 CD LYS A 13 7.148 -0.134 2.347 1.00 0.00 C ATOM 220 CE LYS A 13 8.495 0.192 2.972 1.00 0.00 C ATOM 221 NZ LYS A 13 9.453 0.741 1.973 1.00 0.00 N ATOM 0 H LYS A 13 4.041 -0.154 2.381 1.00 0.00 H new ATOM 0 HA LYS A 13 3.760 -2.972 1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.910 -2.857 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.500 -1.160 0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.569 -1.848 3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.686 -2.207 2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.156 0.152 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.370 0.456 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.356 0.914 3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.915 -0.709 3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.359 0.950 2.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.605 0.042 1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.065 1.614 1.563 1.00 0.00 H new ATOM 235 N GLU A 14 4.633 -1.969 4.681 1.00 0.00 N ATOM 236 CA GLU A 14 4.809 -2.444 6.051 1.00 0.00 C ATOM 237 C GLU A 14 3.620 -3.320 6.438 1.00 0.00 C ATOM 238 O GLU A 14 3.774 -4.390 7.032 1.00 0.00 O ATOM 239 CB GLU A 14 4.975 -1.261 7.022 1.00 0.00 C ATOM 240 CG GLU A 14 3.685 -0.786 7.680 1.00 0.00 C ATOM 241 CD GLU A 14 3.281 -1.646 8.863 1.00 0.00 C ATOM 242 OE1 GLU A 14 4.148 -1.928 9.716 1.00 0.00 O ATOM 243 OE2 GLU A 14 2.097 -2.040 8.934 1.00 0.00 O ATOM 0 H GLU A 14 4.620 -0.954 4.580 1.00 0.00 H new ATOM 0 HA GLU A 14 5.719 -3.041 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.680 -1.547 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.419 -0.425 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.809 0.245 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.883 -0.790 6.942 1.00 0.00 H new ATOM 250 N GLU A 15 2.435 -2.869 6.053 1.00 0.00 N ATOM 251 CA GLU A 15 1.215 -3.612 6.306 1.00 0.00 C ATOM 252 C GLU A 15 1.172 -4.817 5.381 1.00 0.00 C ATOM 253 O GLU A 15 0.621 -5.864 5.721 1.00 0.00 O ATOM 254 CB GLU A 15 -0.006 -2.727 6.060 1.00 0.00 C ATOM 255 CG GLU A 15 -1.319 -3.384 6.457 1.00 0.00 C ATOM 256 CD GLU A 15 -1.984 -2.698 7.635 1.00 0.00 C ATOM 257 OE1 GLU A 15 -1.601 -2.993 8.787 1.00 0.00 O ATOM 258 OE2 GLU A 15 -2.888 -1.866 7.405 1.00 0.00 O ATOM 0 H GLU A 15 2.295 -1.986 5.561 1.00 0.00 H new ATOM 0 HA GLU A 15 1.200 -3.941 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.110 -1.798 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.046 -2.462 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.998 -3.373 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.137 -4.429 6.706 1.00 0.00 H new ATOM 265 N ALA A 16 1.766 -4.648 4.204 1.00 0.00 N ATOM 266 CA ALA A 16 1.814 -5.702 3.210 1.00 0.00 C ATOM 267 C ALA A 16 2.728 -6.837 3.650 1.00 0.00 C ATOM 268 O ALA A 16 2.387 -8.010 3.497 1.00 0.00 O ATOM 269 CB ALA A 16 2.263 -5.142 1.872 1.00 0.00 C ATOM 0 H ALA A 16 2.223 -3.782 3.919 1.00 0.00 H new ATOM 0 HA ALA A 16 0.809 -6.110 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.295 -5.944 1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.561 -4.375 1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.256 -4.704 1.975 1.00 0.00 H new ATOM 275 N ILE A 17 3.887 -6.491 4.215 1.00 0.00 N ATOM 276 CA ILE A 17 4.816 -7.508 4.685 1.00 0.00 C ATOM 277 C ILE A 17 4.145 -8.328 5.773 1.00 0.00 C ATOM 278 O ILE A 17 4.300 -9.546 5.838 1.00 0.00 O ATOM 279 CB ILE A 17 6.135 -6.899 5.208 1.00 0.00 C ATOM 280 CG1 ILE A 17 7.100 -8.001 5.655 1.00 0.00 C ATOM 281 CG2 ILE A 17 5.874 -5.923 6.343 1.00 0.00 C ATOM 282 CD1 ILE A 17 7.997 -8.510 4.548 1.00 0.00 C ATOM 0 H ILE A 17 4.197 -5.529 4.355 1.00 0.00 H new ATOM 0 HA ILE A 17 5.077 -8.146 3.841 1.00 0.00 H new ATOM 0 HB ILE A 17 6.598 -6.348 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.720 -7.621 6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.524 -8.835 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.820 -5.509 6.692 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.234 -5.115 5.988 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.381 -6.443 7.164 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.652 -9.288 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.386 -8.921 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.600 -7.688 4.162 1.00 0.00 H new ATOM 294 N LYS A 18 3.355 -7.649 6.595 1.00 0.00 N ATOM 295 CA LYS A 18 2.607 -8.310 7.648 1.00 0.00 C ATOM 296 C LYS A 18 1.505 -9.157 7.011 1.00 0.00 C ATOM 297 O LYS A 18 1.138 -10.215 7.522 1.00 0.00 O ATOM 298 CB LYS A 18 2.037 -7.270 8.632 1.00 0.00 C ATOM 299 CG LYS A 18 0.522 -7.278 8.770 1.00 0.00 C ATOM 300 CD LYS A 18 0.078 -6.639 10.080 1.00 0.00 C ATOM 301 CE LYS A 18 -0.721 -5.365 9.846 1.00 0.00 C ATOM 302 NZ LYS A 18 -0.107 -4.194 10.528 1.00 0.00 N ATOM 0 H LYS A 18 3.218 -6.639 6.550 1.00 0.00 H new ATOM 0 HA LYS A 18 3.262 -8.966 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.477 -7.442 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.352 -6.277 8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.076 -6.741 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.156 -8.304 8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.527 -7.349 10.644 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.953 -6.412 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.787 -5.169 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.740 -5.503 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.442 -3.317 10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.378 -4.196 11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.928 -4.250 10.449 1.00 0.00 H new ATOM 316 N GLU A 19 0.994 -8.673 5.881 1.00 0.00 N ATOM 317 CA GLU A 19 -0.057 -9.363 5.140 1.00 0.00 C ATOM 318 C GLU A 19 0.420 -10.728 4.659 1.00 0.00 C ATOM 319 O GLU A 19 -0.233 -11.743 4.895 1.00 0.00 O ATOM 320 CB GLU A 19 -0.486 -8.513 3.938 1.00 0.00 C ATOM 321 CG GLU A 19 -1.901 -7.964 4.032 1.00 0.00 C ATOM 322 CD GLU A 19 -2.096 -7.057 5.230 1.00 0.00 C ATOM 323 OE1 GLU A 19 -1.874 -7.520 6.369 1.00 0.00 O ATOM 324 OE2 GLU A 19 -2.469 -5.881 5.031 1.00 0.00 O ATOM 0 H GLU A 19 1.295 -7.796 5.456 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.906 -9.511 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.208 -7.679 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.402 -9.115 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.134 -7.412 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.605 -8.794 4.091 1.00 0.00 H new ATOM 331 N LEU A 20 1.560 -10.744 3.973 1.00 0.00 N ATOM 332 CA LEU A 20 2.114 -11.987 3.449 1.00 0.00 C ATOM 333 C LEU A 20 2.739 -12.824 4.563 1.00 0.00 C ATOM 334 O LEU A 20 2.671 -14.052 4.536 1.00 0.00 O ATOM 335 CB LEU A 20 3.158 -11.695 2.366 1.00 0.00 C ATOM 336 CG LEU A 20 3.165 -12.670 1.179 1.00 0.00 C ATOM 337 CD1 LEU A 20 2.773 -11.952 -0.097 1.00 0.00 C ATOM 338 CD2 LEU A 20 4.533 -13.318 1.029 1.00 0.00 C ATOM 0 H LEU A 20 2.115 -9.913 3.768 1.00 0.00 H new ATOM 0 HA LEU A 20 1.296 -12.557 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.991 -10.687 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.146 -11.702 2.826 1.00 0.00 H new ATOM 0 HG LEU A 20 2.433 -13.455 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.783 -12.657 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.772 -11.535 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.482 -11.148 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.519 -14.005 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.284 -12.547 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.777 -13.867 1.939 1.00 0.00 H new ATOM 350 N VAL A 21 3.340 -12.157 5.546 1.00 0.00 N ATOM 351 CA VAL A 21 3.960 -12.856 6.665 1.00 0.00 C ATOM 352 C VAL A 21 2.909 -13.617 7.459 1.00 0.00 C ATOM 353 O VAL A 21 3.191 -14.670 8.033 1.00 0.00 O ATOM 354 CB VAL A 21 4.720 -11.884 7.597 1.00 0.00 C ATOM 355 CG1 VAL A 21 5.088 -12.559 8.913 1.00 0.00 C ATOM 356 CG2 VAL A 21 5.965 -11.352 6.906 1.00 0.00 C ATOM 0 H VAL A 21 3.410 -11.140 5.589 1.00 0.00 H new ATOM 0 HA VAL A 21 4.683 -13.559 6.252 1.00 0.00 H new ATOM 0 HB VAL A 21 4.060 -11.047 7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.621 -11.852 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.181 -12.888 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.726 -13.420 8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.489 -10.669 7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.622 -12.183 6.649 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.679 -10.822 5.998 1.00 0.00 H new ATOM 366 N ASP A 22 1.698 -13.082 7.485 1.00 0.00 N ATOM 367 CA ASP A 22 0.609 -13.719 8.201 1.00 0.00 C ATOM 368 C ASP A 22 -0.167 -14.652 7.279 1.00 0.00 C ATOM 369 O ASP A 22 -0.677 -15.686 7.709 1.00 0.00 O ATOM 370 CB ASP A 22 -0.329 -12.666 8.799 1.00 0.00 C ATOM 371 CG ASP A 22 -0.855 -13.068 10.162 1.00 0.00 C ATOM 372 OD1 ASP A 22 -0.976 -14.284 10.418 1.00 0.00 O ATOM 373 OD2 ASP A 22 -1.147 -12.165 10.975 1.00 0.00 O ATOM 0 H ASP A 22 1.447 -12.210 7.019 1.00 0.00 H new ATOM 0 HA ASP A 22 1.034 -14.309 9.013 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.201 -11.717 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.168 -12.504 8.122 1.00 0.00 H new ATOM 378 N ALA A 23 -0.251 -14.280 6.003 1.00 0.00 N ATOM 379 CA ALA A 23 -0.964 -15.090 5.023 1.00 0.00 C ATOM 380 C ALA A 23 -0.092 -16.230 4.494 1.00 0.00 C ATOM 381 O ALA A 23 -0.599 -17.173 3.887 1.00 0.00 O ATOM 382 CB ALA A 23 -1.443 -14.221 3.870 1.00 0.00 C ATOM 0 H ALA A 23 0.164 -13.427 5.627 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.826 -15.532 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.974 -14.838 3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.113 -13.450 4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.586 -13.751 3.388 1.00 0.00 H new ATOM 388 N GLY A 24 1.217 -16.142 4.736 1.00 0.00 N ATOM 389 CA GLY A 24 2.137 -17.176 4.285 1.00 0.00 C ATOM 390 C GLY A 24 1.942 -17.553 2.821 1.00 0.00 C ATOM 391 O GLY A 24 0.987 -18.250 2.482 1.00 0.00 O ATOM 0 H GLY A 24 1.657 -15.371 5.238 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.161 -16.832 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.007 -18.064 4.903 1.00 0.00 H new ATOM 395 N ILE A 25 2.847 -17.103 1.949 1.00 0.00 N ATOM 396 CA ILE A 25 2.747 -17.418 0.525 1.00 0.00 C ATOM 397 C ILE A 25 3.927 -16.848 -0.265 1.00 0.00 C ATOM 398 O ILE A 25 4.880 -16.329 0.314 1.00 0.00 O ATOM 399 CB ILE A 25 1.419 -16.913 -0.096 1.00 0.00 C ATOM 400 CG1 ILE A 25 0.833 -15.743 0.703 1.00 0.00 C ATOM 401 CG2 ILE A 25 0.409 -18.051 -0.178 1.00 0.00 C ATOM 402 CD1 ILE A 25 -0.253 -14.988 -0.033 1.00 0.00 C ATOM 0 H ILE A 25 3.649 -16.525 2.202 1.00 0.00 H new ATOM 0 HA ILE A 25 2.767 -18.506 0.457 1.00 0.00 H new ATOM 0 HB ILE A 25 1.638 -16.554 -1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.428 -16.122 1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.635 -15.051 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.519 -17.683 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.812 -18.851 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.211 -18.434 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.620 -14.175 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.152 -14.578 -0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.074 -15.666 -0.265 1.00 0.00 H new ATOM 414 N ALA A 26 3.856 -16.972 -1.594 1.00 0.00 N ATOM 415 CA ALA A 26 4.912 -16.495 -2.491 1.00 0.00 C ATOM 416 C ALA A 26 5.537 -15.193 -2.009 1.00 0.00 C ATOM 417 O ALA A 26 5.036 -14.106 -2.295 1.00 0.00 O ATOM 418 CB ALA A 26 4.368 -16.315 -3.904 1.00 0.00 C ATOM 0 H ALA A 26 3.068 -17.404 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 26 5.694 -17.254 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.165 -15.960 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.993 -17.269 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.557 -15.587 -3.892 1.00 0.00 H new ATOM 424 N GLU A 27 6.647 -15.312 -1.289 1.00 0.00 N ATOM 425 CA GLU A 27 7.354 -14.143 -0.783 1.00 0.00 C ATOM 426 C GLU A 27 7.692 -13.187 -1.922 1.00 0.00 C ATOM 427 O GLU A 27 7.843 -11.985 -1.715 1.00 0.00 O ATOM 428 CB GLU A 27 8.628 -14.564 -0.048 1.00 0.00 C ATOM 429 CG GLU A 27 9.085 -13.564 1.001 1.00 0.00 C ATOM 430 CD GLU A 27 10.022 -14.179 2.022 1.00 0.00 C ATOM 431 OE1 GLU A 27 10.838 -15.043 1.636 1.00 0.00 O ATOM 432 OE2 GLU A 27 9.939 -13.798 3.210 1.00 0.00 O ATOM 0 H GLU A 27 7.075 -16.205 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 27 6.701 -13.626 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.459 -15.528 0.431 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.427 -14.705 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.586 -12.730 0.509 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.213 -13.155 1.513 1.00 0.00 H new ATOM 439 N LYS A 28 7.797 -13.738 -3.128 1.00 0.00 N ATOM 440 CA LYS A 28 8.103 -12.951 -4.322 1.00 0.00 C ATOM 441 C LYS A 28 7.272 -11.664 -4.350 1.00 0.00 C ATOM 442 O LYS A 28 7.799 -10.565 -4.571 1.00 0.00 O ATOM 443 CB LYS A 28 7.833 -13.802 -5.578 1.00 0.00 C ATOM 444 CG LYS A 28 7.567 -13.010 -6.851 1.00 0.00 C ATOM 445 CD LYS A 28 8.736 -13.100 -7.818 1.00 0.00 C ATOM 446 CE LYS A 28 8.395 -12.475 -9.162 1.00 0.00 C ATOM 447 NZ LYS A 28 7.704 -13.437 -10.064 1.00 0.00 N ATOM 0 H LYS A 28 7.674 -14.735 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 28 9.155 -12.667 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.690 -14.454 -5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.976 -14.446 -5.384 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.665 -13.387 -7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.382 -11.966 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.603 -12.596 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.012 -14.145 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.759 -11.603 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.309 -12.122 -9.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.489 -12.972 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.320 -14.257 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.819 -13.755 -9.620 1.00 0.00 H new ATOM 461 N TYR A 29 5.974 -11.800 -4.112 1.00 0.00 N ATOM 462 CA TYR A 29 5.093 -10.644 -4.105 1.00 0.00 C ATOM 463 C TYR A 29 5.477 -9.708 -2.967 1.00 0.00 C ATOM 464 O TYR A 29 5.336 -8.487 -3.067 1.00 0.00 O ATOM 465 CB TYR A 29 3.634 -11.069 -3.993 1.00 0.00 C ATOM 466 CG TYR A 29 2.908 -11.058 -5.322 1.00 0.00 C ATOM 467 CD1 TYR A 29 3.004 -12.136 -6.195 1.00 0.00 C ATOM 468 CD2 TYR A 29 2.130 -9.973 -5.701 1.00 0.00 C ATOM 469 CE1 TYR A 29 2.343 -12.127 -7.410 1.00 0.00 C ATOM 470 CE2 TYR A 29 1.468 -9.958 -6.913 1.00 0.00 C ATOM 471 CZ TYR A 29 1.578 -11.038 -7.765 1.00 0.00 C ATOM 472 OH TYR A 29 0.919 -11.026 -8.972 1.00 0.00 O ATOM 0 H TYR A 29 5.513 -12.690 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 29 5.208 -10.112 -5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.585 -12.071 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.120 -10.403 -3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.603 -12.992 -5.921 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.041 -9.126 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.426 -12.971 -8.078 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.867 -9.105 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 29 0.424 -10.185 -9.066 1.00 0.00 H new ATOM 482 N ILE A 30 6.001 -10.287 -1.893 1.00 0.00 N ATOM 483 CA ILE A 30 6.447 -9.504 -0.757 1.00 0.00 C ATOM 484 C ILE A 30 7.567 -8.567 -1.196 1.00 0.00 C ATOM 485 O ILE A 30 7.776 -7.507 -0.606 1.00 0.00 O ATOM 486 CB ILE A 30 6.921 -10.411 0.409 1.00 0.00 C ATOM 487 CG1 ILE A 30 6.232 -9.998 1.713 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.437 -10.370 0.572 1.00 0.00 C ATOM 489 CD1 ILE A 30 6.635 -10.842 2.903 1.00 0.00 C ATOM 0 H ILE A 30 6.125 -11.294 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 30 5.605 -8.918 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 30 6.643 -11.437 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.465 -8.954 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.152 -10.063 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.732 -11.017 1.398 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.911 -10.715 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.753 -9.348 0.781 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.109 -10.493 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.377 -11.884 2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.710 -10.757 3.062 1.00 0.00 H new ATOM 501 N LYS A 31 8.282 -8.967 -2.247 1.00 0.00 N ATOM 502 CA LYS A 31 9.374 -8.165 -2.778 1.00 0.00 C ATOM 503 C LYS A 31 8.836 -6.982 -3.578 1.00 0.00 C ATOM 504 O LYS A 31 9.391 -5.886 -3.509 1.00 0.00 O ATOM 505 CB LYS A 31 10.306 -9.014 -3.650 1.00 0.00 C ATOM 506 CG LYS A 31 11.432 -8.216 -4.293 1.00 0.00 C ATOM 507 CD LYS A 31 11.654 -8.627 -5.742 1.00 0.00 C ATOM 508 CE LYS A 31 11.402 -7.470 -6.697 1.00 0.00 C ATOM 509 NZ LYS A 31 9.949 -7.196 -6.868 1.00 0.00 N ATOM 0 H LYS A 31 8.121 -9.843 -2.745 1.00 0.00 H new ATOM 0 HA LYS A 31 9.948 -7.783 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.737 -9.808 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.720 -9.495 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.197 -7.153 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.352 -8.363 -3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.675 -8.986 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.992 -9.456 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.898 -6.575 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.845 -7.697 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.796 -6.170 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.606 -7.666 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.428 -7.560 -6.045 1.00 0.00 H new ATOM 523 N LEU A 32 7.750 -7.190 -4.328 1.00 0.00 N ATOM 524 CA LEU A 32 7.179 -6.089 -5.112 1.00 0.00 C ATOM 525 C LEU A 32 6.743 -4.962 -4.182 1.00 0.00 C ATOM 526 O LEU A 32 6.801 -3.786 -4.540 1.00 0.00 O ATOM 527 CB LEU A 32 5.989 -6.523 -5.988 1.00 0.00 C ATOM 528 CG LEU A 32 5.685 -8.014 -6.023 1.00 0.00 C ATOM 529 CD1 LEU A 32 4.386 -8.276 -6.767 1.00 0.00 C ATOM 530 CD2 LEU A 32 6.832 -8.784 -6.664 1.00 0.00 C ATOM 0 H LEU A 32 7.260 -8.081 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 32 7.964 -5.746 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.099 -6.001 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.175 -6.188 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 32 5.572 -8.363 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.185 -9.347 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.568 -7.760 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.472 -7.909 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.593 -9.847 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.981 -8.432 -7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.744 -8.625 -6.088 1.00 0.00 H new ATOM 542 N ILE A 33 6.317 -5.335 -2.978 1.00 0.00 N ATOM 543 CA ILE A 33 5.883 -4.359 -1.982 1.00 0.00 C ATOM 544 C ILE A 33 7.040 -3.942 -1.088 1.00 0.00 C ATOM 545 O ILE A 33 7.245 -2.756 -0.830 1.00 0.00 O ATOM 546 CB ILE A 33 4.757 -4.900 -1.086 1.00 0.00 C ATOM 547 CG1 ILE A 33 5.030 -6.352 -0.704 1.00 0.00 C ATOM 548 CG2 ILE A 33 3.408 -4.758 -1.773 1.00 0.00 C ATOM 549 CD1 ILE A 33 3.966 -6.948 0.174 1.00 0.00 C ATOM 0 H ILE A 33 6.263 -6.305 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 33 5.509 -3.503 -2.543 1.00 0.00 H new ATOM 0 HB ILE A 33 4.729 -4.309 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.118 -6.949 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.990 -6.411 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.625 -5.147 -1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.216 -3.706 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.415 -5.319 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.223 -7.981 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.894 -6.375 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.008 -6.921 -0.346 1.00 0.00 H new ATOM 561 N ALA A 34 7.795 -4.928 -0.613 1.00 0.00 N ATOM 562 CA ALA A 34 8.928 -4.666 0.257 1.00 0.00 C ATOM 563 C ALA A 34 9.939 -3.755 -0.430 1.00 0.00 C ATOM 564 O ALA A 34 10.657 -2.998 0.223 1.00 0.00 O ATOM 565 CB ALA A 34 9.592 -5.969 0.676 1.00 0.00 C ATOM 0 H ALA A 34 7.640 -5.915 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 34 8.560 -4.160 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.439 -5.753 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.872 -6.589 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.942 -6.500 -0.209 1.00 0.00 H new ATOM 571 N ASN A 35 9.988 -3.837 -1.758 1.00 0.00 N ATOM 572 CA ASN A 35 10.908 -3.024 -2.542 1.00 0.00 C ATOM 573 C ASN A 35 10.270 -1.684 -2.919 1.00 0.00 C ATOM 574 O ASN A 35 10.968 -0.746 -3.305 1.00 0.00 O ATOM 575 CB ASN A 35 11.346 -3.787 -3.799 1.00 0.00 C ATOM 576 CG ASN A 35 12.160 -2.931 -4.752 1.00 0.00 C ATOM 577 OD1 ASN A 35 11.611 -2.129 -5.508 1.00 0.00 O ATOM 578 ND2 ASN A 35 13.476 -3.101 -4.720 1.00 0.00 N ATOM 0 H ASN A 35 9.400 -4.460 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 35 11.788 -2.816 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.935 -4.656 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.463 -4.161 -4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.076 -2.555 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 35 13.887 -3.777 -4.077 1.00 0.00 H new ATOM 585 N ALA A 36 8.946 -1.597 -2.799 1.00 0.00 N ATOM 586 CA ALA A 36 8.231 -0.365 -3.122 1.00 0.00 C ATOM 587 C ALA A 36 8.399 -0.004 -4.603 1.00 0.00 C ATOM 588 O ALA A 36 8.361 -0.888 -5.460 1.00 0.00 O ATOM 589 CB ALA A 36 8.721 0.762 -2.222 1.00 0.00 C ATOM 0 H ALA A 36 8.350 -2.361 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 36 7.166 -0.517 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.186 1.680 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.539 0.501 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.789 0.913 -2.377 1.00 0.00 H new ATOM 595 N LYS A 37 8.575 1.293 -4.897 1.00 0.00 N ATOM 596 CA LYS A 37 8.743 1.782 -6.272 1.00 0.00 C ATOM 597 C LYS A 37 7.412 2.262 -6.840 1.00 0.00 C ATOM 598 O LYS A 37 7.373 3.136 -7.705 1.00 0.00 O ATOM 599 CB LYS A 37 9.348 0.710 -7.187 1.00 0.00 C ATOM 600 CG LYS A 37 9.983 1.274 -8.448 1.00 0.00 C ATOM 601 CD LYS A 37 11.023 2.335 -8.123 1.00 0.00 C ATOM 602 CE LYS A 37 10.496 3.733 -8.398 1.00 0.00 C ATOM 603 NZ LYS A 37 11.553 4.768 -8.225 1.00 0.00 N ATOM 0 H LYS A 37 8.605 2.029 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 37 9.437 2.621 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 37 10.100 0.151 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.568 0.002 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.449 0.467 -9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.210 1.704 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.312 2.254 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.921 2.160 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.104 3.780 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.665 3.947 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.154 5.708 -8.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.909 4.740 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.335 4.579 -8.884 1.00 0.00 H new ATOM 617 N THR A 38 6.321 1.688 -6.343 1.00 0.00 N ATOM 618 CA THR A 38 4.988 2.061 -6.793 1.00 0.00 C ATOM 619 C THR A 38 4.019 2.091 -5.618 1.00 0.00 C ATOM 620 O THR A 38 3.302 1.121 -5.371 1.00 0.00 O ATOM 621 CB THR A 38 4.489 1.083 -7.857 1.00 0.00 C ATOM 622 OG1 THR A 38 5.578 0.479 -8.534 1.00 0.00 O ATOM 623 CG2 THR A 38 3.604 1.731 -8.899 1.00 0.00 C ATOM 0 H THR A 38 6.336 0.962 -5.627 1.00 0.00 H new ATOM 0 HA THR A 38 5.041 3.058 -7.231 1.00 0.00 H new ATOM 0 HB THR A 38 3.901 0.343 -7.314 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.238 -0.144 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.285 0.981 -9.623 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.728 2.163 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.160 2.516 -9.411 1.00 0.00 H new ATOM 631 N VAL A 39 4.008 3.208 -4.892 1.00 0.00 N ATOM 632 CA VAL A 39 3.126 3.370 -3.731 1.00 0.00 C ATOM 633 C VAL A 39 1.735 2.797 -4.000 1.00 0.00 C ATOM 634 O VAL A 39 1.200 2.032 -3.194 1.00 0.00 O ATOM 635 CB VAL A 39 2.991 4.852 -3.327 1.00 0.00 C ATOM 636 CG1 VAL A 39 2.401 5.671 -4.465 1.00 0.00 C ATOM 637 CG2 VAL A 39 2.146 4.989 -2.067 1.00 0.00 C ATOM 0 H VAL A 39 4.599 4.016 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 39 3.586 2.818 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 39 3.987 5.240 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.315 6.713 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.051 5.603 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.413 5.285 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.062 6.042 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.152 4.581 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.618 4.442 -1.251 1.00 0.00 H new ATOM 647 N GLU A 40 1.157 3.160 -5.142 1.00 0.00 N ATOM 648 CA GLU A 40 -0.164 2.668 -5.509 1.00 0.00 C ATOM 649 C GLU A 40 -0.127 1.151 -5.652 1.00 0.00 C ATOM 650 O GLU A 40 -1.037 0.454 -5.204 1.00 0.00 O ATOM 651 CB GLU A 40 -0.655 3.333 -6.805 1.00 0.00 C ATOM 652 CG GLU A 40 -1.892 2.678 -7.401 1.00 0.00 C ATOM 653 CD GLU A 40 -3.014 3.663 -7.649 1.00 0.00 C ATOM 654 OE1 GLU A 40 -3.459 4.315 -6.680 1.00 0.00 O ATOM 655 OE2 GLU A 40 -3.449 3.784 -8.813 1.00 0.00 O ATOM 0 H GLU A 40 1.581 3.789 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.869 2.927 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.872 4.382 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.148 3.309 -7.542 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.625 2.194 -8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.243 1.896 -6.728 1.00 0.00 H new ATOM 662 N GLY A 41 0.944 0.644 -6.256 1.00 0.00 N ATOM 663 CA GLY A 41 1.086 -0.788 -6.420 1.00 0.00 C ATOM 664 C GLY A 41 1.286 -1.490 -5.093 1.00 0.00 C ATOM 665 O GLY A 41 0.629 -2.486 -4.810 1.00 0.00 O ATOM 0 H GLY A 41 1.712 1.199 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.199 -1.187 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.934 -0.997 -7.073 1.00 0.00 H new ATOM 669 N VAL A 42 2.188 -0.958 -4.264 1.00 0.00 N ATOM 670 CA VAL A 42 2.454 -1.537 -2.949 1.00 0.00 C ATOM 671 C VAL A 42 1.142 -1.875 -2.247 1.00 0.00 C ATOM 672 O VAL A 42 1.008 -2.923 -1.614 1.00 0.00 O ATOM 673 CB VAL A 42 3.267 -0.571 -2.062 1.00 0.00 C ATOM 674 CG1 VAL A 42 3.811 -1.296 -0.844 1.00 0.00 C ATOM 675 CG2 VAL A 42 4.401 0.063 -2.856 1.00 0.00 C ATOM 0 H VAL A 42 2.743 -0.130 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 42 3.038 -2.445 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 42 2.602 0.223 -1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.382 -0.599 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.983 -1.699 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.459 -2.111 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.962 0.741 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.065 -0.717 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.989 0.620 -3.697 1.00 0.00 H new ATOM 685 N TRP A 43 0.169 -0.981 -2.388 1.00 0.00 N ATOM 686 CA TRP A 43 -1.144 -1.179 -1.788 1.00 0.00 C ATOM 687 C TRP A 43 -1.977 -2.164 -2.607 1.00 0.00 C ATOM 688 O TRP A 43 -2.800 -2.897 -2.057 1.00 0.00 O ATOM 689 CB TRP A 43 -1.883 0.155 -1.667 1.00 0.00 C ATOM 690 CG TRP A 43 -3.116 0.076 -0.820 1.00 0.00 C ATOM 691 CD1 TRP A 43 -4.402 -0.053 -1.256 1.00 0.00 C ATOM 692 CD2 TRP A 43 -3.177 0.122 0.610 1.00 0.00 C ATOM 693 NE1 TRP A 43 -5.262 -0.090 -0.184 1.00 0.00 N ATOM 694 CE2 TRP A 43 -4.534 0.015 0.972 1.00 0.00 C ATOM 695 CE3 TRP A 43 -2.218 0.240 1.619 1.00 0.00 C ATOM 696 CZ2 TRP A 43 -4.953 0.024 2.299 1.00 0.00 C ATOM 697 CZ3 TRP A 43 -2.635 0.250 2.938 1.00 0.00 C ATOM 698 CH2 TRP A 43 -3.992 0.141 3.267 1.00 0.00 C ATOM 0 H TRP A 43 0.266 -0.112 -2.913 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.998 -1.596 -0.791 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.208 0.899 -1.245 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.157 0.502 -2.663 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.701 -0.117 -2.292 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.276 -0.181 -0.240 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.169 0.322 1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.999 -0.058 2.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.903 0.343 3.726 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.286 0.149 4.306 1.00 0.00 H new ATOM 709 N THR A 44 -1.761 -2.181 -3.922 1.00 0.00 N ATOM 710 CA THR A 44 -2.502 -3.083 -4.799 1.00 0.00 C ATOM 711 C THR A 44 -1.936 -4.497 -4.732 1.00 0.00 C ATOM 712 O THR A 44 -2.662 -5.456 -4.472 1.00 0.00 O ATOM 713 CB THR A 44 -2.470 -2.580 -6.245 1.00 0.00 C ATOM 714 OG1 THR A 44 -2.534 -1.167 -6.286 1.00 0.00 O ATOM 715 CG2 THR A 44 -3.608 -3.113 -7.088 1.00 0.00 C ATOM 0 H THR A 44 -1.084 -1.585 -4.399 1.00 0.00 H new ATOM 0 HA THR A 44 -3.536 -3.105 -4.455 1.00 0.00 H new ATOM 0 HB THR A 44 -1.529 -2.945 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.676 -0.792 -5.998 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.526 -2.718 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.560 -4.202 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.559 -2.804 -6.654 1.00 0.00 H new ATOM 723 N LEU A 45 -0.634 -4.614 -4.961 1.00 0.00 N ATOM 724 CA LEU A 45 0.037 -5.906 -4.921 1.00 0.00 C ATOM 725 C LEU A 45 -0.214 -6.590 -3.586 1.00 0.00 C ATOM 726 O LEU A 45 -0.333 -7.810 -3.517 1.00 0.00 O ATOM 727 CB LEU A 45 1.540 -5.734 -5.146 1.00 0.00 C ATOM 728 CG LEU A 45 1.919 -4.823 -6.316 1.00 0.00 C ATOM 729 CD1 LEU A 45 3.239 -4.115 -6.040 1.00 0.00 C ATOM 730 CD2 LEU A 45 1.990 -5.615 -7.612 1.00 0.00 C ATOM 0 H LEU A 45 -0.021 -3.828 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.368 -6.529 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.985 -5.334 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.982 -6.716 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 45 1.144 -4.065 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.491 -3.472 -6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.146 -3.510 -5.138 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.027 -4.855 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.261 -4.949 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.741 -6.399 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.019 -6.066 -7.817 1.00 0.00 H new ATOM 741 N LYS A 46 -0.301 -5.787 -2.531 1.00 0.00 N ATOM 742 CA LYS A 46 -0.551 -6.307 -1.193 1.00 0.00 C ATOM 743 C LYS A 46 -1.960 -6.887 -1.107 1.00 0.00 C ATOM 744 O LYS A 46 -2.147 -8.064 -0.800 1.00 0.00 O ATOM 745 CB LYS A 46 -0.373 -5.189 -0.159 1.00 0.00 C ATOM 746 CG LYS A 46 -0.985 -5.492 1.200 1.00 0.00 C ATOM 747 CD LYS A 46 -0.970 -4.270 2.107 1.00 0.00 C ATOM 748 CE LYS A 46 -2.351 -3.974 2.670 1.00 0.00 C ATOM 749 NZ LYS A 46 -3.208 -3.251 1.690 1.00 0.00 N ATOM 0 H LYS A 46 -0.202 -4.773 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 46 0.164 -7.102 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.692 -4.995 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.819 -4.274 -0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.011 -5.836 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.435 -6.305 1.674 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.270 -4.433 2.926 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.611 -3.406 1.548 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.835 -4.908 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.253 -3.377 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.202 -3.305 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.915 -2.254 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.107 -3.688 0.752 1.00 0.00 H new ATOM 763 N ASP A 47 -2.949 -6.048 -1.382 1.00 0.00 N ATOM 764 CA ASP A 47 -4.341 -6.475 -1.341 1.00 0.00 C ATOM 765 C ASP A 47 -4.582 -7.599 -2.344 1.00 0.00 C ATOM 766 O ASP A 47 -5.436 -8.461 -2.135 1.00 0.00 O ATOM 767 CB ASP A 47 -5.268 -5.296 -1.645 1.00 0.00 C ATOM 768 CG ASP A 47 -6.597 -5.404 -0.920 1.00 0.00 C ATOM 769 OD1 ASP A 47 -7.532 -6.015 -1.481 1.00 0.00 O ATOM 770 OD2 ASP A 47 -6.701 -4.880 0.209 1.00 0.00 O ATOM 0 H ASP A 47 -2.814 -5.069 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.558 -6.845 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.775 -4.367 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.446 -5.245 -2.719 1.00 0.00 H new ATOM 775 N GLU A 48 -3.818 -7.583 -3.432 1.00 0.00 N ATOM 776 CA GLU A 48 -3.941 -8.599 -4.469 1.00 0.00 C ATOM 777 C GLU A 48 -3.245 -9.891 -4.057 1.00 0.00 C ATOM 778 O GLU A 48 -3.848 -10.968 -4.084 1.00 0.00 O ATOM 779 CB GLU A 48 -3.356 -8.086 -5.786 1.00 0.00 C ATOM 780 CG GLU A 48 -4.034 -8.663 -7.016 1.00 0.00 C ATOM 781 CD GLU A 48 -3.050 -9.005 -8.118 1.00 0.00 C ATOM 782 OE1 GLU A 48 -2.248 -9.943 -7.929 1.00 0.00 O ATOM 783 OE2 GLU A 48 -3.080 -8.333 -9.172 1.00 0.00 O ATOM 0 H GLU A 48 -3.107 -6.876 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.001 -8.811 -4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.438 -6.999 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.293 -8.326 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.585 -9.560 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.763 -7.946 -7.394 1.00 0.00 H new ATOM 790 N ILE A 49 -1.972 -9.790 -3.674 1.00 0.00 N ATOM 791 CA ILE A 49 -1.217 -10.967 -3.263 1.00 0.00 C ATOM 792 C ILE A 49 -1.927 -11.701 -2.131 1.00 0.00 C ATOM 793 O ILE A 49 -1.742 -12.901 -1.949 1.00 0.00 O ATOM 794 CB ILE A 49 0.237 -10.642 -2.849 1.00 0.00 C ATOM 795 CG1 ILE A 49 0.984 -11.933 -2.500 1.00 0.00 C ATOM 796 CG2 ILE A 49 0.277 -9.677 -1.678 1.00 0.00 C ATOM 797 CD1 ILE A 49 0.852 -13.023 -3.546 1.00 0.00 C ATOM 0 H ILE A 49 -1.449 -8.915 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.165 -11.613 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 49 0.729 -10.160 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.040 -11.703 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.611 -12.310 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.314 -9.470 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.219 -8.747 -1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.235 -10.120 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.408 -13.904 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.199 -13.283 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.252 -12.667 -4.495 1.00 0.00 H new ATOM 809 N LEU A 50 -2.755 -10.987 -1.384 1.00 0.00 N ATOM 810 CA LEU A 50 -3.502 -11.606 -0.301 1.00 0.00 C ATOM 811 C LEU A 50 -4.745 -12.280 -0.867 1.00 0.00 C ATOM 812 O LEU A 50 -5.182 -13.321 -0.377 1.00 0.00 O ATOM 813 CB LEU A 50 -3.889 -10.572 0.759 1.00 0.00 C ATOM 814 CG LEU A 50 -3.792 -11.070 2.199 1.00 0.00 C ATOM 815 CD1 LEU A 50 -2.388 -10.854 2.735 1.00 0.00 C ATOM 816 CD2 LEU A 50 -4.817 -10.366 3.077 1.00 0.00 C ATOM 0 H LEU A 50 -2.925 -9.989 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.872 -12.354 0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.247 -9.698 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.911 -10.243 0.570 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.008 -12.138 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.332 -11.213 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.675 -11.402 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.148 -9.791 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.733 -10.733 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.633 -9.292 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.819 -10.568 2.700 1.00 0.00 H new ATOM 828 N THR A 51 -5.299 -11.679 -1.918 1.00 0.00 N ATOM 829 CA THR A 51 -6.483 -12.221 -2.575 1.00 0.00 C ATOM 830 C THR A 51 -6.224 -13.635 -3.100 1.00 0.00 C ATOM 831 O THR A 51 -7.156 -14.421 -3.263 1.00 0.00 O ATOM 832 CB THR A 51 -6.914 -11.302 -3.723 1.00 0.00 C ATOM 833 OG1 THR A 51 -7.406 -10.073 -3.223 1.00 0.00 O ATOM 834 CG2 THR A 51 -7.991 -11.900 -4.606 1.00 0.00 C ATOM 0 H THR A 51 -4.946 -10.816 -2.332 1.00 0.00 H new ATOM 0 HA THR A 51 -7.285 -12.275 -1.839 1.00 0.00 H new ATOM 0 HB THR A 51 -6.016 -11.157 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.665 -9.551 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.246 -11.195 -5.397 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.625 -12.826 -5.050 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.877 -12.110 -4.007 1.00 0.00 H new ATOM 842 N PHE A 52 -4.955 -13.956 -3.366 1.00 0.00 N ATOM 843 CA PHE A 52 -4.593 -15.278 -3.870 1.00 0.00 C ATOM 844 C PHE A 52 -4.369 -16.266 -2.717 1.00 0.00 C ATOM 845 O PHE A 52 -3.744 -17.313 -2.888 1.00 0.00 O ATOM 846 CB PHE A 52 -3.354 -15.169 -4.784 1.00 0.00 C ATOM 847 CG PHE A 52 -2.128 -15.916 -4.316 1.00 0.00 C ATOM 848 CD1 PHE A 52 -1.264 -15.343 -3.401 1.00 0.00 C ATOM 849 CD2 PHE A 52 -1.840 -17.183 -4.799 1.00 0.00 C ATOM 850 CE1 PHE A 52 -0.134 -16.012 -2.971 1.00 0.00 C ATOM 851 CE2 PHE A 52 -0.713 -17.861 -4.374 1.00 0.00 C ATOM 852 CZ PHE A 52 0.142 -17.275 -3.459 1.00 0.00 C ATOM 0 H PHE A 52 -4.167 -13.321 -3.241 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.419 -15.669 -4.464 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.623 -15.534 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.096 -14.115 -4.892 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.476 -14.356 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.503 -17.645 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.531 -15.550 -2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.500 -18.848 -4.757 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.023 -17.803 -3.126 1.00 0.00 H new ATOM 862 N THR A 53 -4.904 -15.938 -1.543 1.00 0.00 N ATOM 863 CA THR A 53 -4.769 -16.806 -0.376 1.00 0.00 C ATOM 864 C THR A 53 -5.991 -16.704 0.539 1.00 0.00 C ATOM 865 O THR A 53 -5.868 -16.444 1.736 1.00 0.00 O ATOM 866 CB THR A 53 -3.480 -16.483 0.393 1.00 0.00 C ATOM 867 OG1 THR A 53 -3.142 -17.544 1.268 1.00 0.00 O ATOM 868 CG2 THR A 53 -3.555 -15.220 1.221 1.00 0.00 C ATOM 0 H THR A 53 -5.432 -15.082 -1.375 1.00 0.00 H new ATOM 0 HA THR A 53 -4.708 -17.835 -0.730 1.00 0.00 H new ATOM 0 HB THR A 53 -2.724 -16.339 -0.379 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.877 -17.695 1.898 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.605 -15.063 1.732 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.761 -14.370 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.352 -15.315 1.958 1.00 0.00 H new ATOM 876 N VAL A 54 -7.172 -16.917 -0.034 1.00 0.00 N ATOM 877 CA VAL A 54 -8.404 -16.850 0.728 1.00 0.00 C ATOM 878 C VAL A 54 -9.423 -17.869 0.221 1.00 0.00 C ATOM 879 O VAL A 54 -9.887 -17.781 -0.915 1.00 0.00 O ATOM 880 CB VAL A 54 -9.030 -15.445 0.663 1.00 0.00 C ATOM 881 CG1 VAL A 54 -10.204 -15.334 1.636 1.00 0.00 C ATOM 882 CG2 VAL A 54 -7.984 -14.379 0.950 1.00 0.00 C ATOM 0 H VAL A 54 -7.297 -17.137 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.146 -17.079 1.762 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.410 -15.283 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.633 -14.334 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.963 -16.071 1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.853 -15.518 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.446 -13.393 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.569 -14.535 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.186 -14.444 0.211 1.00 0.00 H new ATOM 892 N THR A 55 -9.762 -18.834 1.070 1.00 0.00 N ATOM 893 CA THR A 55 -10.724 -19.869 0.707 1.00 0.00 C ATOM 894 C THR A 55 -11.744 -20.075 1.820 1.00 0.00 C ATOM 895 O THR A 55 -11.709 -21.084 2.524 1.00 0.00 O ATOM 896 CB THR A 55 -9.993 -21.184 0.407 1.00 0.00 C ATOM 897 OG1 THR A 55 -8.786 -21.264 1.135 1.00 0.00 O ATOM 898 CG2 THR A 55 -9.670 -21.367 -1.057 1.00 0.00 C ATOM 0 H THR A 55 -9.385 -18.921 2.014 1.00 0.00 H new ATOM 0 HA THR A 55 -11.256 -19.546 -0.188 1.00 0.00 H new ATOM 0 HB THR A 55 -10.682 -21.974 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.336 -22.110 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.154 -22.316 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.593 -21.365 -1.636 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.029 -20.552 -1.393 1.00 0.00 H new ATOM 906 N GLU A 56 -12.645 -19.111 1.972 1.00 0.00 N ATOM 907 CA GLU A 56 -13.675 -19.187 2.999 1.00 0.00 C ATOM 908 C GLU A 56 -15.066 -19.265 2.373 1.00 0.00 C ATOM 909 O GLU A 56 -15.304 -18.549 1.379 1.00 0.00 O ATOM 910 CB GLU A 56 -13.596 -17.973 3.928 1.00 0.00 C ATOM 911 CG GLU A 56 -13.912 -18.293 5.380 1.00 0.00 C ATOM 912 CD GLU A 56 -12.780 -19.035 6.070 1.00 0.00 C ATOM 913 OE1 GLU A 56 -12.331 -20.069 5.531 1.00 0.00 O ATOM 914 OE2 GLU A 56 -12.349 -18.583 7.151 1.00 0.00 O ATOM 915 OXT GLU A 56 -15.901 -20.044 2.882 1.00 0.00 O ATOM 0 H GLU A 56 -12.682 -18.269 1.397 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.502 -20.094 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.595 -17.546 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.289 -17.210 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.116 -17.367 5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -14.819 -18.895 5.427 1.00 0.00 H new TER 922 GLU A 56