USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 411 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 33 GLN : amide:sc= 0.211 X(o=0.1,f=0.24) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.106 X(o=0.1,f=0.57) USER MOD Set 2.1: A 9 ASN : amide:sc= -0.195 K(o=-0.19,f=-0.99) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 46 TYR OH : rot -177:sc= 1.22 USER MOD Set 3.3: A 51 LYS NZ :NH3+ 168:sc= 0.607 (180deg=0.397) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 0.536 (180deg=-0.302) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= 0.901 (180deg=0.876) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 1.29 K(o=1.3,f=-0.082) USER MOD Single : A 45 THR OG1 : rot 160:sc= -0.587 USER MOD Single : A 50 THR OG1 : rot -41:sc= 0.352 USER MOD Single : A 52 THR OG1 : rot 56:sc= 1.04 USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00991 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -13.992 -0.377 -2.774 1.00 0.00 N ATOM 19 CA GLY A 2 -13.548 0.406 -3.912 1.00 0.00 C ATOM 20 C GLY A 2 -12.114 0.064 -4.248 1.00 0.00 C ATOM 21 O GLY A 2 -11.519 -0.827 -3.641 1.00 0.00 O ATOM 0 HA2 GLY A 2 -14.188 0.209 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.634 1.469 -3.688 1.00 0.00 H new ATOM 25 N THR A 3 -11.583 0.751 -5.247 1.00 0.00 N ATOM 26 CA THR A 3 -10.224 0.531 -5.695 1.00 0.00 C ATOM 27 C THR A 3 -9.303 1.334 -4.788 1.00 0.00 C ATOM 28 O THR A 3 -9.454 2.552 -4.674 1.00 0.00 O ATOM 29 CB THR A 3 -10.066 0.932 -7.170 1.00 0.00 C ATOM 30 OG1 THR A 3 -11.195 0.505 -7.916 1.00 0.00 O ATOM 31 CG2 THR A 3 -8.797 0.307 -7.756 1.00 0.00 C ATOM 0 H THR A 3 -12.083 1.473 -5.766 1.00 0.00 H new ATOM 0 HA THR A 3 -9.965 -0.526 -5.634 1.00 0.00 H new ATOM 0 HB THR A 3 -9.988 2.018 -7.228 1.00 0.00 H new ATOM 0 HG1 THR A 3 -11.085 0.767 -8.854 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.697 0.599 -8.801 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.928 0.655 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.861 -0.779 -7.687 1.00 0.00 H new ATOM 39 N TYR A 4 -8.434 0.641 -4.066 1.00 0.00 N ATOM 40 CA TYR A 4 -7.450 1.235 -3.182 1.00 0.00 C ATOM 41 C TYR A 4 -6.135 1.246 -3.983 1.00 0.00 C ATOM 42 O TYR A 4 -5.968 0.455 -4.920 1.00 0.00 O ATOM 43 CB TYR A 4 -7.316 0.436 -1.879 1.00 0.00 C ATOM 44 CG TYR A 4 -8.453 0.526 -0.868 1.00 0.00 C ATOM 45 CD1 TYR A 4 -9.636 -0.217 -1.041 1.00 0.00 C ATOM 46 CD2 TYR A 4 -8.290 1.288 0.309 1.00 0.00 C ATOM 47 CE1 TYR A 4 -10.668 -0.142 -0.090 1.00 0.00 C ATOM 48 CE2 TYR A 4 -9.288 1.301 1.302 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.497 0.598 1.095 1.00 0.00 C ATOM 50 OH TYR A 4 -11.538 0.697 1.969 1.00 0.00 O ATOM 0 H TYR A 4 -8.396 -0.378 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.736 2.241 -2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.185 -0.614 -2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.400 0.757 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -9.751 -0.848 -1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.390 1.868 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.600 -0.657 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.130 1.847 2.220 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.267 1.238 2.740 1.00 0.00 H new ATOM 60 N LYS A 5 -5.162 2.070 -3.590 1.00 0.00 N ATOM 61 CA LYS A 5 -3.866 2.216 -4.259 1.00 0.00 C ATOM 62 C LYS A 5 -2.730 2.196 -3.257 1.00 0.00 C ATOM 63 O LYS A 5 -2.920 2.614 -2.117 1.00 0.00 O ATOM 64 CB LYS A 5 -3.843 3.560 -5.004 1.00 0.00 C ATOM 65 CG LYS A 5 -2.691 3.735 -6.013 1.00 0.00 C ATOM 66 CD LYS A 5 -2.604 5.192 -6.484 1.00 0.00 C ATOM 67 CE LYS A 5 -1.771 5.346 -7.764 1.00 0.00 C ATOM 68 NZ LYS A 5 -2.520 4.996 -8.988 1.00 0.00 N ATOM 0 H LYS A 5 -5.256 2.673 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.736 1.384 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.788 3.679 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.785 4.363 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.749 3.439 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.847 3.079 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.609 5.574 -6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.165 5.801 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.421 6.375 -7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.886 4.713 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.906 5.120 -9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.832 4.005 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.350 5.616 -9.076 1.00 0.00 H new ATOM 82 N LEU A 6 -1.576 1.664 -3.637 1.00 0.00 N ATOM 83 CA LEU A 6 -0.380 1.602 -2.807 1.00 0.00 C ATOM 84 C LEU A 6 0.747 2.291 -3.540 1.00 0.00 C ATOM 85 O LEU A 6 0.918 2.056 -4.737 1.00 0.00 O ATOM 86 CB LEU A 6 0.028 0.145 -2.563 1.00 0.00 C ATOM 87 CG LEU A 6 1.315 -0.043 -1.729 1.00 0.00 C ATOM 88 CD1 LEU A 6 1.209 0.542 -0.317 1.00 0.00 C ATOM 89 CD2 LEU A 6 1.646 -1.537 -1.655 1.00 0.00 C ATOM 0 H LEU A 6 -1.442 1.251 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.584 2.084 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.792 -0.366 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.163 -0.345 -3.527 1.00 0.00 H new ATOM 0 HG LEU A 6 2.113 0.506 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.145 0.377 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.011 1.612 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.395 0.054 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.553 -1.680 -1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.821 -2.070 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.800 -1.926 -2.662 1.00 0.00 H new ATOM 101 N ILE A 7 1.527 3.064 -2.797 1.00 0.00 N ATOM 102 CA ILE A 7 2.686 3.791 -3.278 1.00 0.00 C ATOM 103 C ILE A 7 3.866 3.244 -2.478 1.00 0.00 C ATOM 104 O ILE A 7 3.978 3.440 -1.270 1.00 0.00 O ATOM 105 CB ILE A 7 2.492 5.317 -3.177 1.00 0.00 C ATOM 106 CG1 ILE A 7 1.238 5.766 -3.966 1.00 0.00 C ATOM 107 CG2 ILE A 7 3.749 6.033 -3.697 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.992 7.279 -3.960 1.00 0.00 C ATOM 0 H ILE A 7 1.359 3.205 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 7 2.862 3.640 -4.343 1.00 0.00 H new ATOM 0 HB ILE A 7 2.339 5.585 -2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.334 5.430 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.364 5.267 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.610 7.112 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.610 5.737 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.920 5.758 -4.738 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.094 7.504 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.860 7.622 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.846 7.788 -4.406 1.00 0.00 H new ATOM 120 N LEU A 8 4.691 2.440 -3.137 1.00 0.00 N ATOM 121 CA LEU A 8 5.875 1.824 -2.569 1.00 0.00 C ATOM 122 C LEU A 8 6.992 2.845 -2.742 1.00 0.00 C ATOM 123 O LEU A 8 7.461 3.040 -3.862 1.00 0.00 O ATOM 124 CB LEU A 8 6.206 0.527 -3.340 1.00 0.00 C ATOM 125 CG LEU A 8 5.133 -0.565 -3.204 1.00 0.00 C ATOM 126 CD1 LEU A 8 5.213 -1.596 -4.326 1.00 0.00 C ATOM 127 CD2 LEU A 8 5.275 -1.296 -1.877 1.00 0.00 C ATOM 0 H LEU A 8 4.545 2.193 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 8 5.738 1.558 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.337 0.766 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.158 0.135 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 8 4.170 -0.057 -3.259 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.435 -2.347 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.071 -1.100 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.190 -2.078 -4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.506 -2.065 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.259 -1.761 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.162 -0.587 -1.057 1.00 0.00 H new ATOM 139 N ASN A 9 7.396 3.522 -1.671 1.00 0.00 N ATOM 140 CA ASN A 9 8.467 4.515 -1.690 1.00 0.00 C ATOM 141 C ASN A 9 9.666 3.897 -0.970 1.00 0.00 C ATOM 142 O ASN A 9 10.070 4.327 0.117 1.00 0.00 O ATOM 143 CB ASN A 9 8.029 5.790 -0.942 1.00 0.00 C ATOM 144 CG ASN A 9 7.216 6.785 -1.742 1.00 0.00 C ATOM 145 OD1 ASN A 9 7.138 6.737 -2.968 1.00 0.00 O ATOM 146 ND2 ASN A 9 6.632 7.734 -1.035 1.00 0.00 N ATOM 0 H ASN A 9 6.981 3.394 -0.748 1.00 0.00 H new ATOM 0 HA ASN A 9 8.714 4.787 -2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.446 5.493 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.922 6.295 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.093 8.461 -1.505 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.720 7.740 -0.019 1.00 0.00 H new ATOM 153 N GLY A 10 10.341 2.943 -1.605 1.00 0.00 N ATOM 154 CA GLY A 10 11.483 2.330 -0.972 1.00 0.00 C ATOM 155 C GLY A 10 12.729 3.145 -1.225 1.00 0.00 C ATOM 156 O GLY A 10 12.806 3.919 -2.183 1.00 0.00 O ATOM 0 H GLY A 10 10.117 2.590 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.309 2.244 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.619 1.319 -1.355 1.00 0.00 H new ATOM 160 N LYS A 11 13.711 3.007 -0.342 1.00 0.00 N ATOM 161 CA LYS A 11 14.975 3.706 -0.495 1.00 0.00 C ATOM 162 C LYS A 11 15.732 3.130 -1.689 1.00 0.00 C ATOM 163 O LYS A 11 16.491 3.861 -2.324 1.00 0.00 O ATOM 164 CB LYS A 11 15.808 3.568 0.787 1.00 0.00 C ATOM 165 CG LYS A 11 15.139 4.129 2.051 1.00 0.00 C ATOM 166 CD LYS A 11 14.800 5.626 1.955 1.00 0.00 C ATOM 167 CE LYS A 11 13.433 5.938 1.326 1.00 0.00 C ATOM 168 NZ LYS A 11 12.322 5.566 2.219 1.00 0.00 N ATOM 0 H LYS A 11 13.653 2.416 0.487 1.00 0.00 H new ATOM 0 HA LYS A 11 14.787 4.765 -0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.030 2.513 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.761 4.076 0.641 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.224 3.570 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 11 15.799 3.968 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.830 6.056 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.575 6.123 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.373 7.002 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.336 5.401 0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.436 5.533 1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.509 4.631 2.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.236 6.271 2.978 1.00 0.00 H new ATOM 182 N THR A 12 15.449 1.883 -2.062 1.00 0.00 N ATOM 183 CA THR A 12 16.094 1.187 -3.153 1.00 0.00 C ATOM 184 C THR A 12 15.112 0.969 -4.291 1.00 0.00 C ATOM 185 O THR A 12 15.406 1.383 -5.410 1.00 0.00 O ATOM 186 CB THR A 12 16.713 -0.130 -2.654 1.00 0.00 C ATOM 187 OG1 THR A 12 15.761 -0.938 -1.990 1.00 0.00 O ATOM 188 CG2 THR A 12 17.889 0.088 -1.704 1.00 0.00 C ATOM 0 H THR A 12 14.741 1.319 -1.593 1.00 0.00 H new ATOM 0 HA THR A 12 16.908 1.798 -3.542 1.00 0.00 H new ATOM 0 HB THR A 12 17.071 -0.631 -3.553 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.189 -1.767 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.284 -0.877 -1.386 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.671 0.649 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 12 17.553 0.648 -0.831 1.00 0.00 H new ATOM 196 N LEU A 13 13.912 0.437 -4.028 1.00 0.00 N ATOM 197 CA LEU A 13 12.938 0.172 -5.090 1.00 0.00 C ATOM 198 C LEU A 13 11.611 0.837 -4.791 1.00 0.00 C ATOM 199 O LEU A 13 11.108 0.749 -3.670 1.00 0.00 O ATOM 200 CB LEU A 13 12.773 -1.345 -5.264 1.00 0.00 C ATOM 201 CG LEU A 13 11.701 -1.778 -6.280 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.052 -1.361 -7.706 1.00 0.00 C ATOM 203 CD2 LEU A 13 11.539 -3.298 -6.213 1.00 0.00 C ATOM 0 H LEU A 13 13.595 0.183 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 13 13.306 0.596 -6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.731 -1.765 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.529 -1.781 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 13 10.768 -1.279 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.265 -1.689 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.145 -0.276 -7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.997 -1.820 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.781 -3.615 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.489 -3.776 -6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.232 -3.587 -5.208 1.00 0.00 H new ATOM 215 N LYS A 14 11.067 1.519 -5.796 1.00 0.00 N ATOM 216 CA LYS A 14 9.799 2.219 -5.719 1.00 0.00 C ATOM 217 C LYS A 14 8.861 1.613 -6.756 1.00 0.00 C ATOM 218 O LYS A 14 9.319 1.085 -7.777 1.00 0.00 O ATOM 219 CB LYS A 14 9.967 3.740 -5.932 1.00 0.00 C ATOM 220 CG LYS A 14 10.792 4.494 -4.871 1.00 0.00 C ATOM 221 CD LYS A 14 12.228 4.887 -5.262 1.00 0.00 C ATOM 222 CE LYS A 14 13.194 3.701 -5.247 1.00 0.00 C ATOM 223 NZ LYS A 14 14.589 4.095 -5.514 1.00 0.00 N ATOM 0 H LYS A 14 11.513 1.599 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 14 9.378 2.100 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.434 3.899 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.975 4.190 -5.977 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.252 5.402 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.841 3.875 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.220 5.330 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.590 5.653 -4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.140 3.207 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.878 2.972 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.190 3.247 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.642 4.587 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.921 4.730 -4.760 1.00 0.00 H new ATOM 237 N GLY A 15 7.560 1.705 -6.534 1.00 0.00 N ATOM 238 CA GLY A 15 6.543 1.182 -7.432 1.00 0.00 C ATOM 239 C GLY A 15 5.157 1.563 -6.935 1.00 0.00 C ATOM 240 O GLY A 15 5.033 2.283 -5.940 1.00 0.00 O ATOM 0 H GLY A 15 7.173 2.156 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.698 1.575 -8.437 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.628 0.097 -7.497 1.00 0.00 H new ATOM 244 N GLU A 16 4.111 1.112 -7.623 1.00 0.00 N ATOM 245 CA GLU A 16 2.719 1.380 -7.284 1.00 0.00 C ATOM 246 C GLU A 16 1.875 0.171 -7.691 1.00 0.00 C ATOM 247 O GLU A 16 2.243 -0.567 -8.606 1.00 0.00 O ATOM 248 CB GLU A 16 2.205 2.659 -7.991 1.00 0.00 C ATOM 249 CG GLU A 16 2.795 3.931 -7.365 1.00 0.00 C ATOM 250 CD GLU A 16 2.362 5.245 -8.004 1.00 0.00 C ATOM 251 OE1 GLU A 16 1.187 5.641 -7.852 1.00 0.00 O ATOM 252 OE2 GLU A 16 3.267 5.943 -8.528 1.00 0.00 O ATOM 0 H GLU A 16 4.214 0.533 -8.456 1.00 0.00 H new ATOM 0 HA GLU A 16 2.639 1.547 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.465 2.620 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.117 2.695 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.523 3.954 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.882 3.866 -7.412 1.00 0.00 H new ATOM 259 N THR A 17 0.757 -0.052 -7.003 1.00 0.00 N ATOM 260 CA THR A 17 -0.177 -1.140 -7.277 1.00 0.00 C ATOM 261 C THR A 17 -1.571 -0.708 -6.807 1.00 0.00 C ATOM 262 O THR A 17 -1.700 0.268 -6.059 1.00 0.00 O ATOM 263 CB THR A 17 0.319 -2.458 -6.630 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.406 -3.556 -7.151 1.00 0.00 O ATOM 265 CG2 THR A 17 0.249 -2.497 -5.096 1.00 0.00 C ATOM 0 H THR A 17 0.469 0.534 -6.220 1.00 0.00 H new ATOM 0 HA THR A 17 -0.236 -1.347 -8.346 1.00 0.00 H new ATOM 0 HB THR A 17 1.377 -2.517 -6.887 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.085 -4.385 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.617 -3.459 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.864 -1.697 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.784 -2.363 -4.775 1.00 0.00 H new ATOM 273 N THR A 18 -2.619 -1.420 -7.215 1.00 0.00 N ATOM 274 CA THR A 18 -3.996 -1.147 -6.832 1.00 0.00 C ATOM 275 C THR A 18 -4.695 -2.480 -6.583 1.00 0.00 C ATOM 276 O THR A 18 -4.305 -3.514 -7.139 1.00 0.00 O ATOM 277 CB THR A 18 -4.755 -0.365 -7.922 1.00 0.00 C ATOM 278 OG1 THR A 18 -4.618 -0.987 -9.179 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.291 1.081 -8.073 1.00 0.00 C ATOM 0 H THR A 18 -2.528 -2.223 -7.837 1.00 0.00 H new ATOM 0 HA THR A 18 -3.991 -0.530 -5.933 1.00 0.00 H new ATOM 0 HB THR A 18 -5.794 -0.364 -7.592 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.110 -0.473 -9.853 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.869 1.569 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.438 1.610 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.234 1.098 -8.338 1.00 0.00 H new ATOM 287 N THR A 19 -5.644 -2.488 -5.652 1.00 0.00 N ATOM 288 CA THR A 19 -6.423 -3.673 -5.351 1.00 0.00 C ATOM 289 C THR A 19 -7.833 -3.224 -4.954 1.00 0.00 C ATOM 290 O THR A 19 -7.990 -2.133 -4.394 1.00 0.00 O ATOM 291 CB THR A 19 -5.659 -4.539 -4.331 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.921 -5.915 -4.548 1.00 0.00 O ATOM 293 CG2 THR A 19 -5.953 -4.149 -2.881 1.00 0.00 C ATOM 0 H THR A 19 -5.890 -1.674 -5.089 1.00 0.00 H new ATOM 0 HA THR A 19 -6.559 -4.332 -6.208 1.00 0.00 H new ATOM 0 HB THR A 19 -4.597 -4.352 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.426 -6.450 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 19 -5.387 -4.794 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.664 -3.111 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.018 -4.264 -2.682 1.00 0.00 H new ATOM 301 N GLU A 20 -8.865 -4.010 -5.260 1.00 0.00 N ATOM 302 CA GLU A 20 -10.231 -3.671 -4.884 1.00 0.00 C ATOM 303 C GLU A 20 -10.484 -4.418 -3.588 1.00 0.00 C ATOM 304 O GLU A 20 -10.608 -5.643 -3.590 1.00 0.00 O ATOM 305 CB GLU A 20 -11.246 -4.033 -5.967 1.00 0.00 C ATOM 306 CG GLU A 20 -11.212 -2.965 -7.063 1.00 0.00 C ATOM 307 CD GLU A 20 -12.154 -3.296 -8.213 1.00 0.00 C ATOM 308 OE1 GLU A 20 -13.337 -3.586 -7.979 1.00 0.00 O ATOM 309 OE2 GLU A 20 -11.693 -3.235 -9.388 1.00 0.00 O ATOM 0 H GLU A 20 -8.777 -4.889 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.350 -2.595 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.014 -5.011 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.246 -4.100 -5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.486 -2.000 -6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.195 -2.869 -7.444 1.00 0.00 H new ATOM 316 N ALA A 21 -10.495 -3.679 -2.484 1.00 0.00 N ATOM 317 CA ALA A 21 -10.702 -4.219 -1.156 1.00 0.00 C ATOM 318 C ALA A 21 -12.066 -3.799 -0.654 1.00 0.00 C ATOM 319 O ALA A 21 -12.579 -2.737 -1.010 1.00 0.00 O ATOM 320 CB ALA A 21 -9.633 -3.695 -0.200 1.00 0.00 C ATOM 0 H ALA A 21 -10.357 -2.668 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.638 -5.306 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.800 -4.108 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.648 -3.995 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.687 -2.607 -0.155 1.00 0.00 H new ATOM 326 N VAL A 22 -12.630 -4.621 0.215 1.00 0.00 N ATOM 327 CA VAL A 22 -13.933 -4.394 0.812 1.00 0.00 C ATOM 328 C VAL A 22 -13.855 -3.286 1.861 1.00 0.00 C ATOM 329 O VAL A 22 -14.751 -2.442 1.931 1.00 0.00 O ATOM 330 CB VAL A 22 -14.486 -5.726 1.340 1.00 0.00 C ATOM 331 CG1 VAL A 22 -13.644 -6.341 2.468 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.960 -5.561 1.720 1.00 0.00 C ATOM 0 H VAL A 22 -12.184 -5.482 0.531 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.642 -4.035 0.066 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.417 -6.454 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.096 -7.279 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.634 -6.530 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -13.604 -5.650 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.348 -6.509 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -16.053 -4.800 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.530 -5.257 0.842 1.00 0.00 H new ATOM 342 N ASP A 23 -12.784 -3.256 2.647 1.00 0.00 N ATOM 343 CA ASP A 23 -12.546 -2.267 3.691 1.00 0.00 C ATOM 344 C ASP A 23 -11.054 -1.966 3.786 1.00 0.00 C ATOM 345 O ASP A 23 -10.230 -2.597 3.112 1.00 0.00 O ATOM 346 CB ASP A 23 -13.175 -2.663 5.039 1.00 0.00 C ATOM 347 CG ASP A 23 -12.656 -3.960 5.652 1.00 0.00 C ATOM 348 OD1 ASP A 23 -11.436 -4.065 5.872 1.00 0.00 O ATOM 349 OD2 ASP A 23 -13.507 -4.822 5.998 1.00 0.00 O ATOM 0 H ASP A 23 -12.033 -3.942 2.572 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.054 -1.344 3.414 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.008 -1.854 5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.253 -2.751 4.905 1.00 0.00 H new ATOM 354 N ALA A 24 -10.723 -0.929 4.562 1.00 0.00 N ATOM 355 CA ALA A 24 -9.353 -0.491 4.744 1.00 0.00 C ATOM 356 C ALA A 24 -8.499 -1.545 5.442 1.00 0.00 C ATOM 357 O ALA A 24 -7.305 -1.585 5.157 1.00 0.00 O ATOM 358 CB ALA A 24 -9.314 0.854 5.480 1.00 0.00 C ATOM 0 H ALA A 24 -11.406 -0.375 5.079 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.915 -0.350 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.278 1.169 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.851 1.603 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.785 0.748 6.457 1.00 0.00 H new ATOM 364 N ALA A 25 -9.061 -2.389 6.316 1.00 0.00 N ATOM 365 CA ALA A 25 -8.274 -3.414 6.990 1.00 0.00 C ATOM 366 C ALA A 25 -7.828 -4.427 5.942 1.00 0.00 C ATOM 367 O ALA A 25 -6.642 -4.745 5.858 1.00 0.00 O ATOM 368 CB ALA A 25 -9.057 -4.087 8.126 1.00 0.00 C ATOM 0 H ALA A 25 -10.049 -2.379 6.568 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.404 -2.955 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.432 -4.844 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.343 -3.338 8.864 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.953 -4.558 7.721 1.00 0.00 H new ATOM 374 N THR A 26 -8.753 -4.927 5.120 1.00 0.00 N ATOM 375 CA THR A 26 -8.424 -5.886 4.076 1.00 0.00 C ATOM 376 C THR A 26 -7.351 -5.301 3.153 1.00 0.00 C ATOM 377 O THR A 26 -6.398 -6.010 2.806 1.00 0.00 O ATOM 378 CB THR A 26 -9.672 -6.243 3.263 1.00 0.00 C ATOM 379 OG1 THR A 26 -10.778 -6.520 4.094 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.462 -7.448 2.349 1.00 0.00 C ATOM 0 H THR A 26 -9.741 -4.678 5.162 1.00 0.00 H new ATOM 0 HA THR A 26 -8.042 -6.793 4.543 1.00 0.00 H new ATOM 0 HB THR A 26 -9.869 -5.362 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.280 -7.278 3.729 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.381 -7.652 1.799 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.658 -7.235 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.197 -8.318 2.949 1.00 0.00 H new ATOM 388 N ALA A 27 -7.495 -4.021 2.782 1.00 0.00 N ATOM 389 CA ALA A 27 -6.564 -3.331 1.909 1.00 0.00 C ATOM 390 C ALA A 27 -5.183 -3.244 2.552 1.00 0.00 C ATOM 391 O ALA A 27 -4.203 -3.658 1.942 1.00 0.00 O ATOM 392 CB ALA A 27 -7.095 -1.919 1.614 1.00 0.00 C ATOM 0 H ALA A 27 -8.274 -3.438 3.089 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.472 -3.891 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.398 -1.398 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.067 -1.990 1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.197 -1.366 2.548 1.00 0.00 H new ATOM 398 N GLU A 28 -5.113 -2.765 3.793 1.00 0.00 N ATOM 399 CA GLU A 28 -3.885 -2.592 4.558 1.00 0.00 C ATOM 400 C GLU A 28 -3.087 -3.895 4.598 1.00 0.00 C ATOM 401 O GLU A 28 -1.882 -3.904 4.346 1.00 0.00 O ATOM 402 CB GLU A 28 -4.252 -2.120 5.981 1.00 0.00 C ATOM 403 CG GLU A 28 -3.029 -1.817 6.860 1.00 0.00 C ATOM 404 CD GLU A 28 -3.367 -1.505 8.319 1.00 0.00 C ATOM 405 OE1 GLU A 28 -4.451 -1.882 8.814 1.00 0.00 O ATOM 406 OE2 GLU A 28 -2.507 -0.898 9.001 1.00 0.00 O ATOM 0 H GLU A 28 -5.943 -2.477 4.310 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.255 -1.841 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.870 -1.225 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.857 -2.887 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.353 -2.672 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.491 -0.970 6.434 1.00 0.00 H new ATOM 413 N LYS A 29 -3.764 -5.003 4.896 1.00 0.00 N ATOM 414 CA LYS A 29 -3.151 -6.320 5.001 1.00 0.00 C ATOM 415 C LYS A 29 -2.638 -6.800 3.656 1.00 0.00 C ATOM 416 O LYS A 29 -1.503 -7.272 3.567 1.00 0.00 O ATOM 417 CB LYS A 29 -4.189 -7.281 5.575 1.00 0.00 C ATOM 418 CG LYS A 29 -4.514 -6.918 7.031 1.00 0.00 C ATOM 419 CD LYS A 29 -5.602 -7.817 7.615 1.00 0.00 C ATOM 420 CE LYS A 29 -6.962 -7.585 6.966 1.00 0.00 C ATOM 421 NZ LYS A 29 -7.985 -8.489 7.514 1.00 0.00 N ATOM 0 H LYS A 29 -4.768 -5.008 5.073 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.286 -6.273 5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.098 -7.245 4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.814 -8.303 5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.611 -7.002 7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.837 -5.878 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.315 -8.860 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.680 -7.638 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.268 -6.551 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.882 -7.735 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.897 -8.303 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.704 -9.476 7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.078 -8.328 8.537 1.00 0.00 H new ATOM 435 N VAL A 30 -3.461 -6.694 2.610 1.00 0.00 N ATOM 436 CA VAL A 30 -3.044 -7.123 1.279 1.00 0.00 C ATOM 437 C VAL A 30 -1.829 -6.312 0.844 1.00 0.00 C ATOM 438 O VAL A 30 -0.823 -6.872 0.407 1.00 0.00 O ATOM 439 CB VAL A 30 -4.237 -7.009 0.317 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.861 -7.014 -1.167 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.161 -8.194 0.606 1.00 0.00 C ATOM 0 H VAL A 30 -4.408 -6.319 2.660 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.736 -8.169 1.278 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.711 -6.043 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.764 -6.930 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.203 -6.171 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.348 -7.945 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.025 -8.152 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.621 -9.126 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.497 -8.149 1.642 1.00 0.00 H new ATOM 451 N PHE A 31 -1.891 -4.990 0.991 1.00 0.00 N ATOM 452 CA PHE A 31 -0.793 -4.129 0.614 1.00 0.00 C ATOM 453 C PHE A 31 0.452 -4.449 1.426 1.00 0.00 C ATOM 454 O PHE A 31 1.527 -4.486 0.838 1.00 0.00 O ATOM 455 CB PHE A 31 -1.215 -2.670 0.728 1.00 0.00 C ATOM 456 CG PHE A 31 -2.278 -2.258 -0.274 1.00 0.00 C ATOM 457 CD1 PHE A 31 -2.153 -2.569 -1.646 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.361 -1.478 0.160 1.00 0.00 C ATOM 459 CE1 PHE A 31 -3.077 -2.063 -2.576 1.00 0.00 C ATOM 460 CE2 PHE A 31 -4.273 -0.964 -0.769 1.00 0.00 C ATOM 461 CZ PHE A 31 -4.128 -1.243 -2.139 1.00 0.00 C ATOM 0 H PHE A 31 -2.699 -4.498 1.372 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.532 -4.311 -0.428 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.589 -2.488 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.338 -2.037 0.594 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.343 -3.199 -1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.491 -1.274 1.213 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.978 -2.305 -3.624 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.094 -0.349 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.824 -0.827 -2.853 1.00 0.00 H new ATOM 471 N LYS A 32 0.340 -4.709 2.735 1.00 0.00 N ATOM 472 CA LYS A 32 1.491 -5.052 3.570 1.00 0.00 C ATOM 473 C LYS A 32 2.194 -6.270 3.007 1.00 0.00 C ATOM 474 O LYS A 32 3.406 -6.243 2.810 1.00 0.00 O ATOM 475 CB LYS A 32 1.080 -5.309 5.032 1.00 0.00 C ATOM 476 CG LYS A 32 1.231 -4.052 5.902 1.00 0.00 C ATOM 477 CD LYS A 32 2.005 -4.364 7.184 1.00 0.00 C ATOM 478 CE LYS A 32 2.325 -3.063 7.916 1.00 0.00 C ATOM 479 NZ LYS A 32 3.234 -3.289 9.048 1.00 0.00 N ATOM 0 H LYS A 32 -0.546 -4.687 3.239 1.00 0.00 H new ATOM 0 HA LYS A 32 2.172 -4.201 3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.045 -5.649 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.692 -6.111 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.750 -3.276 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.246 -3.659 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.417 -5.020 7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.926 -4.895 6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.777 -2.356 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.401 -2.610 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.430 -2.384 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.792 -3.945 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.125 -3.698 8.701 1.00 0.00 H new ATOM 493 N GLN A 33 1.437 -7.325 2.717 1.00 0.00 N ATOM 494 CA GLN A 33 1.976 -8.550 2.197 1.00 0.00 C ATOM 495 C GLN A 33 2.660 -8.269 0.872 1.00 0.00 C ATOM 496 O GLN A 33 3.729 -8.831 0.636 1.00 0.00 O ATOM 497 CB GLN A 33 0.836 -9.575 2.056 1.00 0.00 C ATOM 498 CG GLN A 33 1.242 -10.862 1.325 1.00 0.00 C ATOM 499 CD GLN A 33 2.241 -11.709 2.103 1.00 0.00 C ATOM 500 OE1 GLN A 33 1.878 -12.603 2.870 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.516 -11.455 1.905 1.00 0.00 N ATOM 0 H GLN A 33 0.425 -7.340 2.842 1.00 0.00 H new ATOM 0 HA GLN A 33 2.722 -8.968 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.469 -9.834 3.049 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.008 -9.111 1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.350 -11.456 1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.673 -10.602 0.358 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.794 -10.710 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.226 -12.003 2.391 1.00 0.00 H new ATOM 510 N TYR A 34 2.056 -7.434 0.024 1.00 0.00 N ATOM 511 CA TYR A 34 2.627 -7.140 -1.280 1.00 0.00 C ATOM 512 C TYR A 34 3.917 -6.345 -1.151 1.00 0.00 C ATOM 513 O TYR A 34 4.909 -6.640 -1.801 1.00 0.00 O ATOM 514 CB TYR A 34 1.603 -6.394 -2.141 1.00 0.00 C ATOM 515 CG TYR A 34 2.043 -6.202 -3.579 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.873 -7.244 -4.511 1.00 0.00 C ATOM 517 CD2 TYR A 34 2.638 -4.991 -3.984 1.00 0.00 C ATOM 518 CE1 TYR A 34 2.274 -7.069 -5.848 1.00 0.00 C ATOM 519 CE2 TYR A 34 3.046 -4.812 -5.318 1.00 0.00 C ATOM 520 CZ TYR A 34 2.866 -5.853 -6.255 1.00 0.00 C ATOM 521 OH TYR A 34 3.266 -5.693 -7.544 1.00 0.00 O ATOM 0 H TYR A 34 1.177 -6.955 0.220 1.00 0.00 H new ATOM 0 HA TYR A 34 2.875 -8.082 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.661 -6.943 -2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.409 -5.418 -1.696 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.434 -8.180 -4.199 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.782 -4.196 -3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.129 -7.865 -6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.496 -3.880 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 34 3.652 -4.799 -7.658 1.00 0.00 H new ATOM 531 N ALA A 35 3.932 -5.313 -0.321 1.00 0.00 N ATOM 532 CA ALA A 35 5.107 -4.485 -0.148 1.00 0.00 C ATOM 533 C ALA A 35 6.257 -5.294 0.421 1.00 0.00 C ATOM 534 O ALA A 35 7.357 -5.229 -0.123 1.00 0.00 O ATOM 535 CB ALA A 35 4.758 -3.320 0.756 1.00 0.00 C ATOM 0 H ALA A 35 3.133 -5.030 0.247 1.00 0.00 H new ATOM 0 HA ALA A 35 5.429 -4.103 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.637 -2.690 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.958 -2.734 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.427 -3.697 1.724 1.00 0.00 H new ATOM 541 N ASN A 36 6.000 -6.080 1.470 1.00 0.00 N ATOM 542 CA ASN A 36 7.046 -6.880 2.088 1.00 0.00 C ATOM 543 C ASN A 36 7.588 -7.921 1.101 1.00 0.00 C ATOM 544 O ASN A 36 8.769 -8.255 1.167 1.00 0.00 O ATOM 545 CB ASN A 36 6.539 -7.489 3.402 1.00 0.00 C ATOM 546 CG ASN A 36 6.590 -8.998 3.415 1.00 0.00 C ATOM 547 OD1 ASN A 36 7.466 -9.594 4.019 1.00 0.00 O ATOM 548 ND2 ASN A 36 5.678 -9.638 2.718 1.00 0.00 N ATOM 0 H ASN A 36 5.081 -6.175 1.903 1.00 0.00 H new ATOM 0 HA ASN A 36 7.891 -6.242 2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.137 -7.104 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.513 -7.165 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.692 -10.657 2.673 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.956 -9.116 2.222 1.00 0.00 H new ATOM 555 N ASP A 37 6.747 -8.396 0.176 1.00 0.00 N ATOM 556 CA ASP A 37 7.121 -9.375 -0.846 1.00 0.00 C ATOM 557 C ASP A 37 8.162 -8.756 -1.782 1.00 0.00 C ATOM 558 O ASP A 37 9.088 -9.434 -2.234 1.00 0.00 O ATOM 559 CB ASP A 37 5.884 -9.803 -1.637 1.00 0.00 C ATOM 560 CG ASP A 37 6.255 -10.817 -2.720 1.00 0.00 C ATOM 561 OD1 ASP A 37 6.409 -12.021 -2.417 1.00 0.00 O ATOM 562 OD2 ASP A 37 6.408 -10.398 -3.890 1.00 0.00 O ATOM 0 H ASP A 37 5.771 -8.105 0.117 1.00 0.00 H new ATOM 0 HA ASP A 37 7.548 -10.256 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.148 -10.239 -0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.419 -8.930 -2.094 1.00 0.00 H new ATOM 567 N ASN A 38 8.005 -7.455 -2.059 1.00 0.00 N ATOM 568 CA ASN A 38 8.906 -6.664 -2.897 1.00 0.00 C ATOM 569 C ASN A 38 10.102 -6.160 -2.068 1.00 0.00 C ATOM 570 O ASN A 38 10.994 -5.514 -2.616 1.00 0.00 O ATOM 571 CB ASN A 38 8.191 -5.449 -3.516 1.00 0.00 C ATOM 572 CG ASN A 38 7.177 -5.800 -4.592 1.00 0.00 C ATOM 573 OD1 ASN A 38 7.503 -5.896 -5.773 1.00 0.00 O ATOM 574 ND2 ASN A 38 5.927 -5.957 -4.216 1.00 0.00 N ATOM 0 H ASN A 38 7.223 -6.911 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 38 9.250 -7.316 -3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.686 -4.897 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.939 -4.781 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.208 -6.162 -4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.676 -5.873 -3.231 1.00 0.00 H new ATOM 581 N GLY A 39 10.118 -6.397 -0.751 1.00 0.00 N ATOM 582 CA GLY A 39 11.180 -5.990 0.157 1.00 0.00 C ATOM 583 C GLY A 39 11.001 -4.574 0.686 1.00 0.00 C ATOM 584 O GLY A 39 11.989 -3.925 1.033 1.00 0.00 O ATOM 0 H GLY A 39 9.363 -6.895 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.218 -6.684 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.138 -6.061 -0.358 1.00 0.00 H new ATOM 588 N VAL A 40 9.770 -4.076 0.743 1.00 0.00 N ATOM 589 CA VAL A 40 9.429 -2.741 1.201 1.00 0.00 C ATOM 590 C VAL A 40 8.638 -2.831 2.500 1.00 0.00 C ATOM 591 O VAL A 40 7.520 -3.350 2.532 1.00 0.00 O ATOM 592 CB VAL A 40 8.599 -2.008 0.131 1.00 0.00 C ATOM 593 CG1 VAL A 40 8.415 -0.529 0.497 1.00 0.00 C ATOM 594 CG2 VAL A 40 9.192 -2.120 -1.283 1.00 0.00 C ATOM 0 H VAL A 40 8.953 -4.616 0.459 1.00 0.00 H new ATOM 0 HA VAL A 40 10.347 -2.181 1.377 1.00 0.00 H new ATOM 0 HB VAL A 40 7.630 -2.507 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.826 -0.034 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.898 -0.452 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.391 -0.049 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.558 -1.581 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.193 -1.689 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.246 -3.169 -1.573 1.00 0.00 H new ATOM 604 N ASP A 41 9.198 -2.293 3.576 1.00 0.00 N ATOM 605 CA ASP A 41 8.549 -2.277 4.869 1.00 0.00 C ATOM 606 C ASP A 41 9.112 -1.115 5.673 1.00 0.00 C ATOM 607 O ASP A 41 10.182 -1.222 6.274 1.00 0.00 O ATOM 608 CB ASP A 41 8.738 -3.598 5.592 1.00 0.00 C ATOM 609 CG ASP A 41 8.056 -3.487 6.948 1.00 0.00 C ATOM 610 OD1 ASP A 41 6.806 -3.344 6.963 1.00 0.00 O ATOM 611 OD2 ASP A 41 8.771 -3.486 7.966 1.00 0.00 O ATOM 0 H ASP A 41 10.119 -1.855 3.570 1.00 0.00 H new ATOM 0 HA ASP A 41 7.475 -2.143 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.307 -4.415 5.013 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.798 -3.818 5.714 1.00 0.00 H new ATOM 616 N GLY A 42 8.407 0.009 5.640 1.00 0.00 N ATOM 617 CA GLY A 42 8.810 1.219 6.348 1.00 0.00 C ATOM 618 C GLY A 42 7.662 1.870 7.083 1.00 0.00 C ATOM 619 O GLY A 42 6.894 1.203 7.775 1.00 0.00 O ATOM 0 H GLY A 42 7.536 0.108 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.600 0.974 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.231 1.929 5.636 1.00 0.00 H new ATOM 623 N GLU A 43 7.603 3.192 6.993 1.00 0.00 N ATOM 624 CA GLU A 43 6.585 4.015 7.604 1.00 0.00 C ATOM 625 C GLU A 43 5.389 4.043 6.658 1.00 0.00 C ATOM 626 O GLU A 43 5.498 4.529 5.529 1.00 0.00 O ATOM 627 CB GLU A 43 7.139 5.426 7.843 1.00 0.00 C ATOM 628 CG GLU A 43 6.146 6.310 8.614 1.00 0.00 C ATOM 629 CD GLU A 43 6.559 7.782 8.665 1.00 0.00 C ATOM 630 OE1 GLU A 43 7.731 8.127 8.391 1.00 0.00 O ATOM 631 OE2 GLU A 43 5.681 8.636 8.950 1.00 0.00 O ATOM 0 H GLU A 43 8.292 3.734 6.471 1.00 0.00 H new ATOM 0 HA GLU A 43 6.279 3.614 8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.074 5.359 8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.371 5.892 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.163 6.232 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.048 5.932 9.632 1.00 0.00 H new ATOM 638 N TRP A 44 4.275 3.463 7.092 1.00 0.00 N ATOM 639 CA TRP A 44 3.040 3.420 6.327 1.00 0.00 C ATOM 640 C TRP A 44 2.189 4.657 6.649 1.00 0.00 C ATOM 641 O TRP A 44 2.105 5.088 7.807 1.00 0.00 O ATOM 642 CB TRP A 44 2.282 2.107 6.594 1.00 0.00 C ATOM 643 CG TRP A 44 2.945 0.863 6.066 1.00 0.00 C ATOM 644 CD1 TRP A 44 4.049 0.300 6.603 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.605 0.024 4.912 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.437 -0.792 5.865 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.584 -1.013 4.811 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.594 0.032 3.918 1.00 0.00 C ATOM 649 CZ2 TRP A 44 3.573 -1.967 3.786 1.00 0.00 C ATOM 650 CZ3 TRP A 44 1.577 -0.927 2.887 1.00 0.00 C ATOM 651 CH2 TRP A 44 2.561 -1.918 2.818 1.00 0.00 C ATOM 0 H TRP A 44 4.207 3.003 8.000 1.00 0.00 H new ATOM 0 HA TRP A 44 3.271 3.441 5.262 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.146 1.998 7.670 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.288 2.184 6.153 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.555 0.658 7.487 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.254 -1.366 6.073 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.823 0.787 3.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.335 -2.731 3.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.796 -0.897 2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.541 -2.645 2.019 1.00 0.00 H new ATOM 662 N THR A 45 1.527 5.212 5.635 1.00 0.00 N ATOM 663 CA THR A 45 0.666 6.388 5.721 1.00 0.00 C ATOM 664 C THR A 45 -0.692 6.046 5.084 1.00 0.00 C ATOM 665 O THR A 45 -0.938 4.882 4.747 1.00 0.00 O ATOM 666 CB THR A 45 1.368 7.597 5.064 1.00 0.00 C ATOM 667 OG1 THR A 45 1.360 7.467 3.666 1.00 0.00 O ATOM 668 CG2 THR A 45 2.825 7.779 5.512 1.00 0.00 C ATOM 0 H THR A 45 1.579 4.836 4.688 1.00 0.00 H new ATOM 0 HA THR A 45 0.480 6.671 6.757 1.00 0.00 H new ATOM 0 HB THR A 45 0.803 8.472 5.386 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.503 8.345 3.255 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.254 8.646 5.010 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.858 7.931 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.399 6.889 5.253 1.00 0.00 H new ATOM 676 N TYR A 46 -1.629 6.995 4.992 1.00 0.00 N ATOM 677 CA TYR A 46 -2.923 6.764 4.370 1.00 0.00 C ATOM 678 C TYR A 46 -3.545 8.095 3.971 1.00 0.00 C ATOM 679 O TYR A 46 -3.497 9.065 4.727 1.00 0.00 O ATOM 680 CB TYR A 46 -3.876 5.980 5.284 1.00 0.00 C ATOM 681 CG TYR A 46 -5.137 5.499 4.585 1.00 0.00 C ATOM 682 CD1 TYR A 46 -5.036 4.776 3.381 1.00 0.00 C ATOM 683 CD2 TYR A 46 -6.408 5.767 5.124 1.00 0.00 C ATOM 684 CE1 TYR A 46 -6.185 4.377 2.681 1.00 0.00 C ATOM 685 CE2 TYR A 46 -7.565 5.339 4.448 1.00 0.00 C ATOM 686 CZ TYR A 46 -7.457 4.664 3.210 1.00 0.00 C ATOM 687 OH TYR A 46 -8.566 4.324 2.500 1.00 0.00 O ATOM 0 H TYR A 46 -1.505 7.943 5.349 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.760 6.154 3.482 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.347 5.119 5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.157 6.611 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.061 4.525 2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.496 6.302 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.094 3.852 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.539 5.526 4.876 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.366 4.625 2.979 1.00 0.00 H new ATOM 697 N ASP A 47 -4.190 8.092 2.814 1.00 0.00 N ATOM 698 CA ASP A 47 -4.870 9.198 2.172 1.00 0.00 C ATOM 699 C ASP A 47 -6.229 8.656 1.756 1.00 0.00 C ATOM 700 O ASP A 47 -6.422 8.272 0.598 1.00 0.00 O ATOM 701 CB ASP A 47 -4.082 9.677 0.940 1.00 0.00 C ATOM 702 CG ASP A 47 -2.754 10.318 1.291 1.00 0.00 C ATOM 703 OD1 ASP A 47 -2.764 11.410 1.909 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.702 9.728 0.972 1.00 0.00 O ATOM 0 H ASP A 47 -4.254 7.241 2.256 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.963 10.054 2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.905 8.829 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.688 10.393 0.385 1.00 0.00 H new ATOM 709 N ASP A 48 -7.180 8.579 2.692 1.00 0.00 N ATOM 710 CA ASP A 48 -8.526 8.068 2.405 1.00 0.00 C ATOM 711 C ASP A 48 -9.206 8.875 1.316 1.00 0.00 C ATOM 712 O ASP A 48 -9.971 8.335 0.520 1.00 0.00 O ATOM 713 CB ASP A 48 -9.437 8.079 3.626 1.00 0.00 C ATOM 714 CG ASP A 48 -10.595 7.083 3.448 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.441 6.030 2.789 1.00 0.00 O ATOM 716 OD2 ASP A 48 -11.681 7.293 4.032 1.00 0.00 O ATOM 0 H ASP A 48 -7.042 8.866 3.661 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.376 7.038 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.863 7.822 4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.834 9.082 3.781 1.00 0.00 H new ATOM 721 N ALA A 49 -8.842 10.154 1.233 1.00 0.00 N ATOM 722 CA ALA A 49 -9.317 11.139 0.263 1.00 0.00 C ATOM 723 C ALA A 49 -9.197 10.605 -1.174 1.00 0.00 C ATOM 724 O ALA A 49 -9.941 11.023 -2.064 1.00 0.00 O ATOM 725 CB ALA A 49 -8.453 12.397 0.396 1.00 0.00 C ATOM 0 H ALA A 49 -8.165 10.555 1.882 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.366 11.356 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.790 13.147 -0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.542 12.794 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.411 12.146 0.195 1.00 0.00 H new ATOM 731 N THR A 50 -8.227 9.724 -1.410 1.00 0.00 N ATOM 732 CA THR A 50 -7.943 9.066 -2.674 1.00 0.00 C ATOM 733 C THR A 50 -7.656 7.567 -2.437 1.00 0.00 C ATOM 734 O THR A 50 -7.017 6.918 -3.271 1.00 0.00 O ATOM 735 CB THR A 50 -6.827 9.861 -3.372 1.00 0.00 C ATOM 736 OG1 THR A 50 -6.587 9.373 -4.680 1.00 0.00 O ATOM 737 CG2 THR A 50 -5.530 9.890 -2.560 1.00 0.00 C ATOM 0 H THR A 50 -7.581 9.436 -0.675 1.00 0.00 H new ATOM 0 HA THR A 50 -8.796 9.067 -3.352 1.00 0.00 H new ATOM 0 HB THR A 50 -7.182 10.889 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.610 8.393 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.776 10.464 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 50 -5.717 10.355 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.172 8.872 -2.410 1.00 0.00 H new ATOM 745 N LYS A 51 -8.092 7.013 -1.298 1.00 0.00 N ATOM 746 CA LYS A 51 -7.926 5.636 -0.830 1.00 0.00 C ATOM 747 C LYS A 51 -6.549 5.085 -1.194 1.00 0.00 C ATOM 748 O LYS A 51 -6.437 4.053 -1.859 1.00 0.00 O ATOM 749 CB LYS A 51 -9.088 4.749 -1.307 1.00 0.00 C ATOM 750 CG LYS A 51 -10.467 5.344 -0.976 1.00 0.00 C ATOM 751 CD LYS A 51 -11.582 4.295 -1.114 1.00 0.00 C ATOM 752 CE LYS A 51 -11.643 3.369 0.107 1.00 0.00 C ATOM 753 NZ LYS A 51 -11.866 4.068 1.396 1.00 0.00 N ATOM 0 H LYS A 51 -8.616 7.569 -0.623 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.967 5.632 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.009 4.603 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.001 3.765 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.460 5.737 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.671 6.183 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.541 4.798 -1.238 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.414 3.702 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.443 2.644 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.711 2.807 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.096 3.372 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.004 4.585 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.654 4.739 1.295 1.00 0.00 H new ATOM 767 N THR A 52 -5.495 5.784 -0.780 1.00 0.00 N ATOM 768 CA THR A 52 -4.130 5.393 -1.083 1.00 0.00 C ATOM 769 C THR A 52 -3.260 5.300 0.163 1.00 0.00 C ATOM 770 O THR A 52 -3.422 6.117 1.061 1.00 0.00 O ATOM 771 CB THR A 52 -3.536 6.450 -2.031 1.00 0.00 C ATOM 772 OG1 THR A 52 -4.303 6.593 -3.215 1.00 0.00 O ATOM 773 CG2 THR A 52 -2.103 6.140 -2.469 1.00 0.00 C ATOM 0 H THR A 52 -5.568 6.637 -0.225 1.00 0.00 H new ATOM 0 HA THR A 52 -4.149 4.403 -1.538 1.00 0.00 H new ATOM 0 HB THR A 52 -3.547 7.368 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.231 6.805 -2.980 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.748 6.926 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.458 6.089 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.081 5.184 -2.992 1.00 0.00 H new ATOM 781 N PHE A 53 -2.384 4.296 0.240 1.00 0.00 N ATOM 782 CA PHE A 53 -1.426 4.144 1.339 1.00 0.00 C ATOM 783 C PHE A 53 -0.057 4.375 0.685 1.00 0.00 C ATOM 784 O PHE A 53 0.103 4.092 -0.509 1.00 0.00 O ATOM 785 CB PHE A 53 -1.432 2.781 2.047 1.00 0.00 C ATOM 786 CG PHE A 53 -2.716 2.249 2.662 1.00 0.00 C ATOM 787 CD1 PHE A 53 -3.824 1.901 1.868 1.00 0.00 C ATOM 788 CD2 PHE A 53 -2.758 2.006 4.047 1.00 0.00 C ATOM 789 CE1 PHE A 53 -4.951 1.290 2.452 1.00 0.00 C ATOM 790 CE2 PHE A 53 -3.892 1.421 4.637 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.988 1.054 3.838 1.00 0.00 C ATOM 0 H PHE A 53 -2.318 3.560 -0.463 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.686 4.846 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.087 2.040 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.686 2.825 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.811 2.103 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.911 2.271 4.663 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.789 1.002 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.921 1.254 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.855 0.593 4.286 1.00 0.00 H new ATOM 801 N THR A 54 0.921 4.871 1.437 1.00 0.00 N ATOM 802 CA THR A 54 2.266 5.149 0.936 1.00 0.00 C ATOM 803 C THR A 54 3.256 4.616 1.963 1.00 0.00 C ATOM 804 O THR A 54 3.198 5.004 3.128 1.00 0.00 O ATOM 805 CB THR A 54 2.425 6.647 0.631 1.00 0.00 C ATOM 806 OG1 THR A 54 1.429 7.058 -0.284 1.00 0.00 O ATOM 807 CG2 THR A 54 3.801 6.990 0.062 1.00 0.00 C ATOM 0 H THR A 54 0.801 5.095 2.425 1.00 0.00 H new ATOM 0 HA THR A 54 2.459 4.646 -0.012 1.00 0.00 H new ATOM 0 HB THR A 54 2.318 7.177 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.534 8.014 -0.474 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.857 8.061 -0.135 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.572 6.712 0.781 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.957 6.442 -0.867 1.00 0.00 H new ATOM 815 N VAL A 55 4.054 3.613 1.608 1.00 0.00 N ATOM 816 CA VAL A 55 5.035 2.997 2.493 1.00 0.00 C ATOM 817 C VAL A 55 6.411 3.511 2.121 1.00 0.00 C ATOM 818 O VAL A 55 6.929 3.199 1.047 1.00 0.00 O ATOM 819 CB VAL A 55 4.917 1.464 2.493 1.00 0.00 C ATOM 820 CG1 VAL A 55 4.969 0.797 1.120 1.00 0.00 C ATOM 821 CG2 VAL A 55 5.978 0.837 3.413 1.00 0.00 C ATOM 0 H VAL A 55 4.035 3.198 0.677 1.00 0.00 H new ATOM 0 HA VAL A 55 4.843 3.282 3.527 1.00 0.00 H new ATOM 0 HB VAL A 55 3.912 1.272 2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.877 -0.283 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.149 1.167 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.918 1.030 0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.877 -0.248 3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.972 1.113 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.838 1.201 4.431 1.00 0.00 H new ATOM 831 N THR A 56 7.002 4.290 3.010 1.00 0.00 N ATOM 832 CA THR A 56 8.310 4.872 2.815 1.00 0.00 C ATOM 833 C THR A 56 9.257 4.035 3.668 1.00 0.00 C ATOM 834 O THR A 56 9.266 4.159 4.890 1.00 0.00 O ATOM 835 CB THR A 56 8.229 6.345 3.173 1.00 0.00 C ATOM 836 OG1 THR A 56 7.059 6.928 2.622 1.00 0.00 O ATOM 837 CG2 THR A 56 9.385 7.182 2.656 1.00 0.00 C ATOM 0 H THR A 56 6.575 4.538 3.903 1.00 0.00 H new ATOM 0 HA THR A 56 8.682 4.852 1.791 1.00 0.00 H new ATOM 0 HB THR A 56 8.240 6.354 4.263 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.021 7.877 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.246 8.220 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.320 6.806 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.420 7.122 1.568 1.00 0.00 H new ATOM 845 N GLU A 57 9.965 3.124 2.998 1.00 0.00 N ATOM 846 CA GLU A 57 10.917 2.156 3.548 1.00 0.00 C ATOM 847 C GLU A 57 11.880 2.783 4.534 1.00 0.00 C ATOM 848 O GLU A 57 12.493 3.803 4.162 1.00 0.00 O ATOM 849 CB GLU A 57 11.649 1.393 2.435 1.00 0.00 C ATOM 850 CG GLU A 57 12.258 0.078 2.933 1.00 0.00 C ATOM 851 CD GLU A 57 13.723 0.163 3.404 1.00 0.00 C ATOM 852 OE1 GLU A 57 14.546 0.804 2.712 1.00 0.00 O ATOM 853 OE2 GLU A 57 14.105 -0.574 4.349 1.00 0.00 O ATOM 0 H GLU A 57 9.883 3.037 1.985 1.00 0.00 H new ATOM 0 HA GLU A 57 10.334 1.429 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.953 1.184 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.438 2.023 2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.650 -0.295 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.194 -0.658 2.132 1.00 0.00 H new