USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 389 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: B 4 GLN : amide:sc= 0.084 K(o=0.19,f=-0.69) USER MOD Set 1.2: B 10 HIS : no HE2:sc= 0.104 K(o=0.19,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ -158:sc= 1.02 (180deg=0.655) USER MOD Single : A 5 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 39:sc= 0.229 USER MOD Single : A 12 SER OG : rot -160:sc= -0.282 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 19 TYR OH : rot 41:sc= 1.33 USER MOD Single : A 21 ASN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : B 1 PHE N :NH3+ 146:sc= 0.0359 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.1) USER MOD Single : B 5 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-5.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.176 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 51:sc= 0.184 USER MOD Single : B 29 LYS NZ :NH3+ 139:sc= 0.451 (180deg=0.0786) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.0463 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.217 -0.531 -0.828 1.00 25.00 N ATOM 2 CA GLY A 1 3.390 0.856 -1.353 1.00 25.00 C ATOM 3 C GLY A 1 2.615 1.067 -2.631 1.00 25.00 C ATOM 4 O GLY A 1 2.490 0.138 -3.412 1.00 25.00 O ATOM 0 H1 GLY A 1 3.429 -0.546 0.190 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.236 -0.841 -0.982 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.865 -1.174 -1.326 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.058 1.574 -0.603 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.448 1.049 -1.532 1.00 25.00 H new ATOM 10 N ILE A 2 2.081 2.265 -2.855 1.00 25.00 N ATOM 11 CA ILE A 2 1.200 2.514 -4.007 1.00 25.00 C ATOM 12 C ILE A 2 1.878 2.287 -5.368 1.00 25.00 C ATOM 13 O ILE A 2 1.246 1.846 -6.303 1.00 25.00 O ATOM 14 CB ILE A 2 0.568 3.952 -3.917 1.00 25.00 C ATOM 15 CG1 ILE A 2 -0.685 4.028 -4.813 1.00 25.00 C ATOM 16 CG2 ILE A 2 1.608 5.060 -4.271 1.00 25.00 C ATOM 17 CD1 ILE A 2 -1.503 5.327 -4.676 1.00 25.00 C ATOM 0 H ILE A 2 2.238 3.079 -2.261 1.00 25.00 H new ATOM 0 HA ILE A 2 0.405 1.770 -3.951 1.00 25.00 H new ATOM 0 HB ILE A 2 0.263 4.136 -2.887 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -0.377 3.918 -5.853 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -1.332 3.182 -4.580 1.00 25.00 H new ATOM 0 HG21 ILE A 2 1.135 6.039 -4.198 1.00 25.00 H new ATOM 0 HG22 ILE A 2 2.446 5.009 -3.575 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.971 4.907 -5.287 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -2.363 5.287 -5.344 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.847 5.433 -3.647 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.878 6.180 -4.940 1.00 25.00 H new ATOM 29 N VAL A 3 3.179 2.517 -5.467 1.00 25.00 N ATOM 30 CA VAL A 3 3.888 2.325 -6.739 1.00 25.00 C ATOM 31 C VAL A 3 3.802 0.862 -7.204 1.00 25.00 C ATOM 32 O VAL A 3 3.683 0.578 -8.388 1.00 25.00 O ATOM 33 CB VAL A 3 5.385 2.753 -6.599 1.00 25.00 C ATOM 34 CG1 VAL A 3 6.125 2.634 -7.941 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.477 4.206 -6.083 1.00 25.00 C ATOM 0 H VAL A 3 3.766 2.833 -4.695 1.00 25.00 H new ATOM 0 HA VAL A 3 3.407 2.953 -7.489 1.00 25.00 H new ATOM 0 HB VAL A 3 5.859 2.082 -5.883 1.00 25.00 H new ATOM 0 HG11 VAL A 3 7.164 2.938 -7.812 1.00 25.00 H new ATOM 0 HG12 VAL A 3 6.090 1.600 -8.285 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.647 3.279 -8.679 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.524 4.493 -5.989 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.979 4.874 -6.786 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.993 4.278 -5.109 1.00 25.00 H new ATOM 45 N GLU A 4 3.822 -0.060 -6.254 1.00 25.00 N ATOM 46 CA GLU A 4 3.808 -1.492 -6.556 1.00 25.00 C ATOM 47 C GLU A 4 2.473 -1.923 -7.141 1.00 25.00 C ATOM 48 O GLU A 4 2.431 -2.813 -7.974 1.00 25.00 O ATOM 49 CB GLU A 4 4.082 -2.297 -5.284 1.00 25.00 C ATOM 50 CG GLU A 4 5.479 -2.083 -4.710 1.00 25.00 C ATOM 51 CD GLU A 4 5.601 -2.592 -3.304 1.00 25.00 C ATOM 52 OE1 GLU A 4 5.147 -2.013 -2.344 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.245 -3.698 -3.212 1.00 25.00 O ATOM 0 H GLU A 4 3.848 0.156 -5.257 1.00 25.00 H new ATOM 0 HA GLU A 4 4.587 -1.683 -7.294 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.344 -2.028 -4.529 1.00 25.00 H new ATOM 0 HB3 GLU A 4 3.946 -3.357 -5.499 1.00 25.00 H new ATOM 0 HG2 GLU A 4 6.210 -2.588 -5.341 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.719 -1.020 -4.731 1.00 25.00 H new ATOM 61 N GLN A 5 1.401 -1.257 -6.733 1.00 25.00 N ATOM 62 CA GLN A 5 0.046 -1.573 -7.197 1.00 25.00 C ATOM 63 C GLN A 5 -0.028 -1.503 -8.717 1.00 25.00 C ATOM 64 O GLN A 5 -0.684 -2.320 -9.358 1.00 25.00 O ATOM 65 CB GLN A 5 -0.919 -0.547 -6.594 1.00 25.00 C ATOM 66 CG GLN A 5 -2.387 -0.714 -6.947 1.00 25.00 C ATOM 67 CD GLN A 5 -3.187 0.495 -6.512 1.00 25.00 C ATOM 68 OE1 GLN A 5 -3.873 0.472 -5.507 1.00 25.00 O ATOM 69 NE2 GLN A 5 -3.060 1.574 -7.245 1.00 25.00 N ATOM 0 H GLN A 5 1.440 -0.482 -6.071 1.00 25.00 H new ATOM 0 HA GLN A 5 -0.220 -2.583 -6.885 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.822 -0.583 -5.509 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.602 0.447 -6.910 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.493 -0.858 -8.022 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.782 -1.609 -6.466 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.476 1.557 -8.081 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -3.545 2.431 -6.979 1.00 25.00 H new ATOM 78 N CYS A 6 0.658 -0.527 -9.289 1.00 25.00 N ATOM 79 CA CYS A 6 0.641 -0.348 -10.736 1.00 25.00 C ATOM 80 C CYS A 6 1.844 -0.981 -11.424 1.00 25.00 C ATOM 81 O CYS A 6 1.807 -1.238 -12.618 1.00 25.00 O ATOM 82 CB CYS A 6 0.583 1.139 -11.077 1.00 25.00 C ATOM 83 SG CYS A 6 -0.977 1.937 -10.586 1.00 25.00 S ATOM 0 H CYS A 6 1.229 0.149 -8.782 1.00 25.00 H new ATOM 0 HA CYS A 6 -0.249 -0.856 -11.106 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.412 1.649 -10.587 1.00 25.00 H new ATOM 0 HB3 CYS A 6 0.723 1.263 -12.151 1.00 25.00 H new ATOM 88 N CYS A 7 2.925 -1.197 -10.689 1.00 25.00 N ATOM 89 CA CYS A 7 4.150 -1.724 -11.285 1.00 25.00 C ATOM 90 C CYS A 7 4.198 -3.254 -11.329 1.00 25.00 C ATOM 91 O CYS A 7 4.531 -3.828 -12.356 1.00 25.00 O ATOM 92 CB CYS A 7 5.370 -1.178 -10.530 1.00 25.00 C ATOM 93 SG CYS A 7 6.988 -1.692 -11.204 1.00 25.00 S ATOM 0 H CYS A 7 2.982 -1.018 -9.686 1.00 25.00 H new ATOM 0 HA CYS A 7 4.165 -1.388 -12.322 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.322 -0.089 -10.532 1.00 25.00 H new ATOM 0 HB3 CYS A 7 5.308 -1.498 -9.490 1.00 25.00 H new ATOM 98 N THR A 8 3.871 -3.920 -10.229 1.00 25.00 N ATOM 99 CA THR A 8 3.969 -5.384 -10.191 1.00 25.00 C ATOM 100 C THR A 8 2.709 -6.028 -10.753 1.00 25.00 C ATOM 101 O THR A 8 2.708 -7.198 -11.130 1.00 25.00 O ATOM 102 CB THR A 8 4.264 -5.913 -8.750 1.00 25.00 C ATOM 103 OG1 THR A 8 4.935 -7.170 -8.838 1.00 25.00 O ATOM 104 CG2 THR A 8 2.996 -6.119 -7.919 1.00 25.00 C ATOM 0 H THR A 8 3.542 -3.487 -9.366 1.00 25.00 H new ATOM 0 HA THR A 8 4.813 -5.666 -10.821 1.00 25.00 H new ATOM 0 HB THR A 8 4.876 -5.157 -8.258 1.00 25.00 H new ATOM 0 HG1 THR A 8 5.123 -7.504 -7.936 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.266 -6.487 -6.929 1.00 25.00 H new ATOM 0 HG22 THR A 8 2.467 -5.171 -7.822 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.351 -6.846 -8.413 1.00 25.00 H new ATOM 112 N SER A 9 1.636 -5.255 -10.831 1.00 25.00 N ATOM 113 CA SER A 9 0.368 -5.759 -11.329 1.00 25.00 C ATOM 114 C SER A 9 -0.351 -4.651 -12.075 1.00 25.00 C ATOM 115 O SER A 9 0.192 -3.570 -12.229 1.00 25.00 O ATOM 116 CB SER A 9 -0.477 -6.262 -10.156 1.00 25.00 C ATOM 117 OG SER A 9 -0.570 -5.266 -9.145 1.00 25.00 O ATOM 0 H SER A 9 1.620 -4.273 -10.554 1.00 25.00 H new ATOM 0 HA SER A 9 0.538 -6.590 -12.014 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.475 -6.527 -10.506 1.00 25.00 H new ATOM 0 HB3 SER A 9 -0.033 -7.168 -9.743 1.00 25.00 H new ATOM 0 HG SER A 9 -0.665 -4.384 -9.562 1.00 25.00 H new ATOM 123 N ILE A 10 -1.504 -4.948 -12.654 1.00 25.00 N ATOM 124 CA ILE A 10 -2.214 -3.961 -13.466 1.00 25.00 C ATOM 125 C ILE A 10 -3.126 -3.189 -12.527 1.00 25.00 C ATOM 126 O ILE A 10 -3.878 -3.791 -11.770 1.00 25.00 O ATOM 127 CB ILE A 10 -3.101 -4.626 -14.576 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.284 -5.586 -15.470 1.00 25.00 C ATOM 129 CG2 ILE A 10 -3.791 -3.540 -15.444 1.00 25.00 C ATOM 130 CD1 ILE A 10 -1.285 -4.916 -16.418 1.00 25.00 C ATOM 0 H ILE A 10 -1.968 -5.854 -12.581 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.483 -3.326 -13.967 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.865 -5.217 -14.070 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -1.740 -6.278 -14.827 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -2.978 -6.181 -16.063 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -4.402 -4.019 -16.209 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.424 -2.917 -14.812 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.032 -2.920 -15.922 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -0.766 -5.679 -16.998 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -1.817 -4.246 -17.093 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -0.560 -4.345 -15.838 1.00 25.00 H new ATOM 142 N CYS A 11 -3.091 -1.869 -12.605 1.00 25.00 N ATOM 143 CA CYS A 11 -4.011 -1.034 -11.851 1.00 25.00 C ATOM 144 C CYS A 11 -4.889 -0.331 -12.883 1.00 25.00 C ATOM 145 O CYS A 11 -4.477 -0.153 -14.033 1.00 25.00 O ATOM 146 CB CYS A 11 -3.245 -0.035 -10.982 1.00 25.00 C ATOM 147 SG CYS A 11 -2.323 1.218 -11.924 1.00 25.00 S ATOM 0 H CYS A 11 -2.432 -1.351 -13.186 1.00 25.00 H new ATOM 0 HA CYS A 11 -4.621 -1.623 -11.166 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.950 0.469 -10.321 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -2.548 -0.582 -10.347 1.00 25.00 H new ATOM 152 N SER A 12 -6.111 0.008 -12.507 1.00 25.00 N ATOM 153 CA SER A 12 -7.039 0.643 -13.443 1.00 25.00 C ATOM 154 C SER A 12 -6.816 2.149 -13.452 1.00 25.00 C ATOM 155 O SER A 12 -6.138 2.688 -12.580 1.00 25.00 O ATOM 156 CB SER A 12 -8.481 0.336 -13.042 1.00 25.00 C ATOM 157 OG SER A 12 -8.802 0.960 -11.812 1.00 25.00 O ATOM 0 H SER A 12 -6.486 -0.142 -11.570 1.00 25.00 H new ATOM 0 HA SER A 12 -6.857 0.248 -14.443 1.00 25.00 H new ATOM 0 HB2 SER A 12 -9.162 0.682 -13.820 1.00 25.00 H new ATOM 0 HB3 SER A 12 -8.618 -0.742 -12.955 1.00 25.00 H new ATOM 0 HG SER A 12 -9.581 0.518 -11.414 1.00 25.00 H new ATOM 163 N LEU A 13 -7.422 2.841 -14.407 1.00 25.00 N ATOM 164 CA LEU A 13 -7.300 4.297 -14.480 1.00 25.00 C ATOM 165 C LEU A 13 -7.891 4.960 -13.232 1.00 25.00 C ATOM 166 O LEU A 13 -7.436 6.008 -12.809 1.00 25.00 O ATOM 167 CB LEU A 13 -7.966 4.832 -15.757 1.00 25.00 C ATOM 168 CG LEU A 13 -9.503 4.760 -15.851 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.142 6.087 -15.431 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.919 4.421 -17.278 1.00 25.00 C ATOM 0 H LEU A 13 -7.999 2.425 -15.138 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.240 4.549 -14.519 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -7.672 5.875 -15.876 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.553 4.285 -16.604 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.850 3.980 -15.173 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.227 6.009 -15.507 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -9.866 6.314 -14.401 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -9.789 6.884 -16.086 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -11.006 4.372 -17.338 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.553 5.191 -17.957 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.496 3.457 -17.561 1.00 25.00 H new ATOM 182 N TYR A 14 -8.865 4.312 -12.613 1.00 25.00 N ATOM 183 CA TYR A 14 -9.493 4.844 -11.407 1.00 25.00 C ATOM 184 C TYR A 14 -8.508 4.819 -10.247 1.00 25.00 C ATOM 185 O TYR A 14 -8.444 5.737 -9.446 1.00 25.00 O ATOM 186 CB TYR A 14 -10.720 4.006 -11.069 1.00 25.00 C ATOM 187 CG TYR A 14 -11.589 3.749 -12.278 1.00 25.00 C ATOM 188 CD1 TYR A 14 -12.355 4.783 -12.855 1.00 25.00 C ATOM 189 CD2 TYR A 14 -11.638 2.468 -12.867 1.00 25.00 C ATOM 190 CE1 TYR A 14 -13.157 4.540 -14.005 1.00 25.00 C ATOM 191 CE2 TYR A 14 -12.431 2.226 -14.020 1.00 25.00 C ATOM 192 CZ TYR A 14 -13.179 3.266 -14.578 1.00 25.00 C ATOM 193 OH TYR A 14 -13.939 3.026 -15.693 1.00 25.00 O ATOM 0 H TYR A 14 -9.240 3.416 -12.924 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.795 5.877 -11.582 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -10.401 3.054 -10.644 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -11.306 4.516 -10.305 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.333 5.771 -12.419 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -11.065 1.661 -12.435 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.746 5.337 -14.433 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -12.456 1.242 -14.464 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.839 2.089 -15.962 1.00 25.00 H new ATOM 203 N GLN A 15 -7.698 3.775 -10.200 1.00 25.00 N ATOM 204 CA GLN A 15 -6.659 3.663 -9.183 1.00 25.00 C ATOM 205 C GLN A 15 -5.565 4.701 -9.427 1.00 25.00 C ATOM 206 O GLN A 15 -4.987 5.240 -8.489 1.00 25.00 O ATOM 207 CB GLN A 15 -6.067 2.271 -9.198 1.00 25.00 C ATOM 208 CG GLN A 15 -7.084 1.222 -8.843 1.00 25.00 C ATOM 209 CD GLN A 15 -6.440 0.062 -8.172 1.00 25.00 C ATOM 210 OE1 GLN A 15 -5.698 -0.688 -8.782 1.00 25.00 O ATOM 211 NE2 GLN A 15 -6.665 -0.060 -6.899 1.00 25.00 N ATOM 0 H GLN A 15 -7.737 2.992 -10.852 1.00 25.00 H new ATOM 0 HA GLN A 15 -7.104 3.848 -8.205 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -5.660 2.061 -10.187 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.236 2.223 -8.494 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -7.841 1.652 -8.187 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.596 0.887 -9.745 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -7.294 0.590 -6.428 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.213 -0.806 -6.370 1.00 25.00 H new ATOM 220 N LEU A 16 -5.311 4.999 -10.693 1.00 25.00 N ATOM 221 CA LEU A 16 -4.338 6.024 -11.072 1.00 25.00 C ATOM 222 C LEU A 16 -4.787 7.420 -10.624 1.00 25.00 C ATOM 223 O LEU A 16 -3.959 8.237 -10.252 1.00 25.00 O ATOM 224 CB LEU A 16 -4.061 5.994 -12.581 1.00 25.00 C ATOM 225 CG LEU A 16 -3.176 4.825 -13.050 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.151 4.739 -14.569 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.743 4.979 -12.546 1.00 25.00 C ATOM 0 H LEU A 16 -5.767 4.544 -11.484 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.406 5.796 -10.554 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -5.013 5.946 -13.110 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.583 6.931 -12.868 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.607 3.913 -12.637 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.519 3.905 -14.876 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.164 4.583 -14.941 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.752 5.667 -14.979 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -1.143 4.138 -12.894 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.321 5.909 -12.928 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.741 5.000 -11.456 1.00 25.00 H new ATOM 239 N GLU A 17 -6.085 7.693 -10.633 1.00 25.00 N ATOM 240 CA GLU A 17 -6.596 8.997 -10.180 1.00 25.00 C ATOM 241 C GLU A 17 -6.164 9.319 -8.740 1.00 25.00 C ATOM 242 O GLU A 17 -5.962 10.478 -8.402 1.00 25.00 O ATOM 243 CB GLU A 17 -8.127 9.036 -10.248 1.00 25.00 C ATOM 244 CG GLU A 17 -8.690 9.045 -11.661 1.00 25.00 C ATOM 245 CD GLU A 17 -10.185 8.891 -11.690 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.750 8.033 -12.313 1.00 25.00 O ATOM 247 OE2 GLU A 17 -10.811 9.783 -10.989 1.00 25.00 O ATOM 0 H GLU A 17 -6.805 7.041 -10.945 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.171 9.744 -10.851 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.525 8.172 -9.716 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.480 9.924 -9.723 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.415 9.979 -12.151 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.234 8.238 -12.235 1.00 25.00 H new ATOM 255 N ASN A 18 -5.989 8.294 -7.917 1.00 25.00 N ATOM 256 CA ASN A 18 -5.584 8.472 -6.513 1.00 25.00 C ATOM 257 C ASN A 18 -4.219 9.149 -6.363 1.00 25.00 C ATOM 258 O ASN A 18 -3.924 9.749 -5.337 1.00 25.00 O ATOM 259 CB ASN A 18 -5.560 7.127 -5.779 1.00 25.00 C ATOM 260 CG ASN A 18 -6.919 6.483 -5.704 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.930 7.149 -5.608 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.949 5.179 -5.749 1.00 25.00 N ATOM 0 H ASN A 18 -6.120 7.321 -8.192 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.331 9.129 -6.068 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.870 6.453 -6.287 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.176 7.275 -4.770 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.842 4.688 -5.703 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.080 4.651 -5.830 1.00 25.00 H new ATOM 269 N TYR A 19 -3.359 8.994 -7.363 1.00 25.00 N ATOM 270 CA TYR A 19 -2.012 9.568 -7.317 1.00 25.00 C ATOM 271 C TYR A 19 -2.076 11.096 -7.379 1.00 25.00 C ATOM 272 O TYR A 19 -1.165 11.779 -6.917 1.00 25.00 O ATOM 273 CB TYR A 19 -1.190 9.069 -8.500 1.00 25.00 C ATOM 274 CG TYR A 19 -0.754 7.619 -8.403 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.673 6.570 -8.603 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.589 7.287 -8.128 1.00 25.00 C ATOM 277 CE1 TYR A 19 -1.260 5.224 -8.558 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.002 5.931 -8.072 1.00 25.00 C ATOM 279 CZ TYR A 19 0.070 4.915 -8.304 1.00 25.00 C ATOM 280 OH TYR A 19 0.443 3.601 -8.280 1.00 25.00 O ATOM 0 H TYR A 19 -3.567 8.476 -8.217 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.546 9.260 -6.381 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.774 9.198 -9.411 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.303 9.695 -8.598 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.710 6.801 -8.794 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.310 8.073 -7.958 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.977 4.433 -8.721 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.030 5.685 -7.851 1.00 25.00 H new ATOM 0 HH TYR A 19 0.000 3.122 -9.011 1.00 25.00 H new ATOM 290 N CYS A 20 -3.159 11.633 -7.933 1.00 25.00 N ATOM 291 CA CYS A 20 -3.346 13.082 -8.041 1.00 25.00 C ATOM 292 C CYS A 20 -3.949 13.640 -6.745 1.00 25.00 C ATOM 293 O CYS A 20 -4.973 14.315 -6.752 1.00 25.00 O ATOM 294 CB CYS A 20 -4.284 13.409 -9.210 1.00 25.00 C ATOM 295 SG CYS A 20 -3.809 12.662 -10.805 1.00 25.00 S ATOM 0 H CYS A 20 -3.928 11.084 -8.318 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.372 13.540 -8.215 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.290 13.076 -8.954 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.328 14.491 -9.331 1.00 25.00 H new ATOM 300 N ASN A 21 -3.309 13.331 -5.613 1.00 25.00 N ATOM 301 CA ASN A 21 -3.776 13.761 -4.283 1.00 25.00 C ATOM 302 C ASN A 21 -3.813 15.284 -4.155 1.00 25.00 C ATOM 303 O ASN A 21 -2.842 16.009 -4.238 1.00 25.00 O ATOM 304 CB ASN A 21 -2.912 13.133 -3.170 1.00 25.00 C ATOM 305 CG ASN A 21 -3.386 13.552 -1.805 1.00 25.00 C ATOM 306 OD1 ASN A 21 -4.183 12.927 -1.157 1.00 25.00 O ATOM 307 ND2 ASN A 21 -2.846 14.658 -1.309 1.00 25.00 N ATOM 308 OXT ASN A 21 -4.981 15.754 -3.875 1.00 25.00 O ATOM 0 H ASN A 21 -2.453 12.777 -5.588 1.00 25.00 H new ATOM 0 HA ASN A 21 -4.799 13.404 -4.166 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -2.945 12.047 -3.251 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -1.872 13.431 -3.303 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -3.107 14.979 -0.377 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -2.170 15.187 -1.860 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -8.374 3.277 -22.445 1.00 25.00 N ATOM 318 CA PHE B 1 -7.127 3.020 -21.672 1.00 25.00 C ATOM 319 C PHE B 1 -6.620 1.619 -21.961 1.00 25.00 C ATOM 320 O PHE B 1 -7.424 0.714 -22.118 1.00 25.00 O ATOM 321 CB PHE B 1 -7.410 3.181 -20.173 1.00 25.00 C ATOM 322 CG PHE B 1 -6.176 3.148 -19.312 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.418 4.317 -19.108 1.00 25.00 C ATOM 324 CD2 PHE B 1 -5.765 1.949 -18.693 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.250 4.292 -18.307 1.00 25.00 C ATOM 326 CE2 PHE B 1 -4.599 1.914 -17.890 1.00 25.00 C ATOM 327 CZ PHE B 1 -3.839 3.085 -17.702 1.00 25.00 C ATOM 0 H1 PHE B 1 -9.006 3.890 -21.891 1.00 25.00 H new ATOM 0 H2 PHE B 1 -8.136 3.746 -23.342 1.00 25.00 H new ATOM 0 H3 PHE B 1 -8.852 2.375 -22.642 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.363 3.738 -21.970 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -7.929 4.126 -20.011 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.085 2.387 -19.854 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -5.731 5.243 -19.567 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.345 1.049 -18.833 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -3.675 5.194 -18.160 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.293 0.990 -17.422 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.945 3.059 -17.097 1.00 25.00 H new ATOM 339 N VAL B 2 -5.310 1.436 -22.068 1.00 25.00 N ATOM 340 CA VAL B 2 -4.731 0.122 -22.375 1.00 25.00 C ATOM 341 C VAL B 2 -4.042 -0.389 -21.120 1.00 25.00 C ATOM 342 O VAL B 2 -3.275 0.345 -20.500 1.00 25.00 O ATOM 343 CB VAL B 2 -3.688 0.222 -23.535 1.00 25.00 C ATOM 344 CG1 VAL B 2 -3.081 -1.155 -23.856 1.00 25.00 C ATOM 345 CG2 VAL B 2 -4.351 0.800 -24.798 1.00 25.00 C ATOM 0 H VAL B 2 -4.622 2.179 -21.947 1.00 25.00 H new ATOM 0 HA VAL B 2 -5.522 -0.557 -22.694 1.00 25.00 H new ATOM 0 HB VAL B 2 -2.887 0.886 -23.208 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -2.359 -1.054 -24.667 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -2.580 -1.547 -22.971 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -3.873 -1.840 -24.158 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -3.614 0.865 -25.599 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.169 0.150 -25.109 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -4.740 1.795 -24.582 1.00 25.00 H new ATOM 355 N ASN B 3 -4.314 -1.627 -20.732 1.00 25.00 N ATOM 356 CA ASN B 3 -3.667 -2.196 -19.559 1.00 25.00 C ATOM 357 C ASN B 3 -2.215 -2.510 -19.856 1.00 25.00 C ATOM 358 O ASN B 3 -1.888 -3.158 -20.838 1.00 25.00 O ATOM 359 CB ASN B 3 -4.354 -3.476 -19.062 1.00 25.00 C ATOM 360 CG ASN B 3 -4.590 -4.494 -20.156 1.00 25.00 C ATOM 361 OD1 ASN B 3 -3.779 -5.362 -20.384 1.00 25.00 O ATOM 362 ND2 ASN B 3 -5.730 -4.417 -20.796 1.00 25.00 N ATOM 0 H ASN B 3 -4.969 -2.249 -21.205 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.744 -1.444 -18.774 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -3.743 -3.928 -18.281 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -5.309 -3.214 -18.607 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -5.959 -5.104 -21.515 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -6.389 -3.670 -20.576 1.00 25.00 H new ATOM 369 N GLN B 4 -1.353 -2.033 -18.981 1.00 25.00 N ATOM 370 CA GLN B 4 0.064 -2.329 -19.033 1.00 25.00 C ATOM 371 C GLN B 4 0.558 -2.024 -17.637 1.00 25.00 C ATOM 372 O GLN B 4 0.047 -1.120 -16.986 1.00 25.00 O ATOM 373 CB GLN B 4 0.777 -1.458 -20.085 1.00 25.00 C ATOM 374 CG GLN B 4 0.461 0.033 -19.979 1.00 25.00 C ATOM 375 CD GLN B 4 1.072 0.835 -21.101 1.00 25.00 C ATOM 376 OE1 GLN B 4 2.155 1.392 -20.966 1.00 25.00 O ATOM 377 NE2 GLN B 4 0.378 0.916 -22.205 1.00 25.00 N ATOM 0 H GLN B 4 -1.619 -1.424 -18.207 1.00 25.00 H new ATOM 0 HA GLN B 4 0.264 -3.360 -19.326 1.00 25.00 H new ATOM 0 HB2 GLN B 4 1.854 -1.598 -19.988 1.00 25.00 H new ATOM 0 HB3 GLN B 4 0.499 -1.808 -21.079 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -0.620 0.173 -19.984 1.00 25.00 H new ATOM 0 HG3 GLN B 4 0.827 0.412 -19.025 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -0.520 0.438 -22.279 1.00 25.00 H new ATOM 0 HE22 GLN B 4 0.734 1.457 -22.993 1.00 25.00 H new ATOM 386 N HIS B 5 1.530 -2.781 -17.169 1.00 25.00 N ATOM 387 CA HIS B 5 2.179 -2.466 -15.894 1.00 25.00 C ATOM 388 C HIS B 5 2.903 -1.126 -16.035 1.00 25.00 C ATOM 389 O HIS B 5 3.464 -0.818 -17.090 1.00 25.00 O ATOM 390 CB HIS B 5 3.172 -3.558 -15.496 1.00 25.00 C ATOM 391 CG HIS B 5 2.531 -4.889 -15.250 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.460 -5.076 -14.391 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.790 -6.124 -15.741 1.00 25.00 C ATOM 394 CE1 HIS B 5 1.113 -6.361 -14.416 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.906 -7.001 -15.212 1.00 25.00 N ATOM 0 H HIS B 5 1.891 -3.611 -17.639 1.00 25.00 H new ATOM 0 HA HIS B 5 1.422 -2.407 -15.112 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.919 -3.663 -16.283 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.701 -3.246 -14.595 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.575 -6.369 -16.441 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.298 -6.800 -13.859 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.871 -8.001 -15.409 1.00 25.00 H new ATOM 404 N LEU B 6 2.860 -0.326 -14.985 1.00 25.00 N ATOM 405 CA LEU B 6 3.429 1.016 -14.980 1.00 25.00 C ATOM 406 C LEU B 6 4.521 1.151 -13.932 1.00 25.00 C ATOM 407 O LEU B 6 4.246 1.235 -12.737 1.00 25.00 O ATOM 408 CB LEU B 6 2.350 2.042 -14.638 1.00 25.00 C ATOM 409 CG LEU B 6 1.270 2.478 -15.634 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.637 2.238 -17.090 1.00 25.00 C ATOM 411 CD2 LEU B 6 -0.058 1.804 -15.297 1.00 25.00 C ATOM 0 H LEU B 6 2.425 -0.589 -14.101 1.00 25.00 H new ATOM 0 HA LEU B 6 3.842 1.191 -15.974 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.827 1.661 -13.761 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.871 2.948 -14.329 1.00 25.00 H new ATOM 0 HG LEU B 6 1.177 3.559 -15.528 1.00 25.00 H new ATOM 0 HD11 LEU B 6 0.821 2.573 -17.731 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.542 2.795 -17.334 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.811 1.174 -17.251 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.818 2.121 -16.011 1.00 25.00 H new ATOM 0 HD22 LEU B 6 0.060 0.722 -15.349 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.365 2.088 -14.290 1.00 25.00 H new ATOM 423 N CYS B 7 5.754 1.233 -14.392 1.00 25.00 N ATOM 424 CA CYS B 7 6.903 1.413 -13.509 1.00 25.00 C ATOM 425 C CYS B 7 7.712 2.602 -14.012 1.00 25.00 C ATOM 426 O CYS B 7 7.742 2.861 -15.216 1.00 25.00 O ATOM 427 CB CYS B 7 7.774 0.152 -13.526 1.00 25.00 C ATOM 428 SG CYS B 7 6.859 -1.392 -13.213 1.00 25.00 S ATOM 0 H CYS B 7 5.993 1.178 -15.382 1.00 25.00 H new ATOM 0 HA CYS B 7 6.566 1.592 -12.488 1.00 25.00 H new ATOM 0 HB2 CYS B 7 8.268 0.078 -14.495 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.558 0.255 -12.776 1.00 25.00 H new ATOM 433 N GLY B 8 8.375 3.317 -13.112 1.00 25.00 N ATOM 434 CA GLY B 8 9.210 4.440 -13.521 1.00 25.00 C ATOM 435 C GLY B 8 8.457 5.480 -14.331 1.00 25.00 C ATOM 436 O GLY B 8 7.316 5.823 -14.025 1.00 25.00 O ATOM 0 H GLY B 8 8.352 3.143 -12.107 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.630 4.914 -12.634 1.00 25.00 H new ATOM 0 HA3 GLY B 8 10.048 4.066 -14.110 1.00 25.00 H new ATOM 440 N SER B 9 9.078 5.948 -15.403 1.00 25.00 N ATOM 441 CA SER B 9 8.484 6.947 -16.288 1.00 25.00 C ATOM 442 C SER B 9 7.168 6.500 -16.930 1.00 25.00 C ATOM 443 O SER B 9 6.324 7.329 -17.245 1.00 25.00 O ATOM 444 CB SER B 9 9.492 7.270 -17.385 1.00 25.00 C ATOM 445 OG SER B 9 10.740 6.673 -17.064 1.00 25.00 O ATOM 0 H SER B 9 10.010 5.647 -15.687 1.00 25.00 H new ATOM 0 HA SER B 9 8.246 7.819 -15.679 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.134 6.898 -18.345 1.00 25.00 H new ATOM 0 HB3 SER B 9 9.607 8.349 -17.484 1.00 25.00 H new ATOM 0 HG SER B 9 11.391 6.877 -17.768 1.00 25.00 H new ATOM 451 N HIS B 10 6.959 5.198 -17.097 1.00 25.00 N ATOM 452 CA HIS B 10 5.698 4.711 -17.670 1.00 25.00 C ATOM 453 C HIS B 10 4.525 5.085 -16.766 1.00 25.00 C ATOM 454 O HIS B 10 3.436 5.358 -17.248 1.00 25.00 O ATOM 455 CB HIS B 10 5.731 3.192 -17.878 1.00 25.00 C ATOM 456 CG HIS B 10 5.846 2.784 -19.315 1.00 25.00 C ATOM 457 ND1 HIS B 10 4.754 2.389 -20.098 1.00 25.00 N ATOM 458 CD2 HIS B 10 6.919 2.685 -20.147 1.00 25.00 C ATOM 459 CE1 HIS B 10 5.191 2.082 -21.314 1.00 25.00 C ATOM 460 NE2 HIS B 10 6.485 2.256 -21.363 1.00 25.00 N ATOM 0 H HIS B 10 7.629 4.469 -16.851 1.00 25.00 H new ATOM 0 HA HIS B 10 5.569 5.186 -18.642 1.00 25.00 H new ATOM 0 HB2 HIS B 10 6.572 2.776 -17.323 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.825 2.757 -17.457 1.00 25.00 H new ATOM 0 HD1 HIS B 10 3.784 2.344 -19.786 1.00 25.00 H new ATOM 0 HD2 HIS B 10 7.943 2.909 -19.886 1.00 25.00 H new ATOM 0 HE1 HIS B 10 4.574 1.742 -22.133 1.00 25.00 H new ATOM 469 N LEU B 11 4.760 5.126 -15.460 1.00 25.00 N ATOM 470 CA LEU B 11 3.720 5.512 -14.507 1.00 25.00 C ATOM 471 C LEU B 11 3.416 6.997 -14.634 1.00 25.00 C ATOM 472 O LEU B 11 2.265 7.402 -14.636 1.00 25.00 O ATOM 473 CB LEU B 11 4.173 5.162 -13.079 1.00 25.00 C ATOM 474 CG LEU B 11 3.196 5.375 -11.906 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.791 4.860 -12.168 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.764 4.646 -10.685 1.00 25.00 C ATOM 0 H LEU B 11 5.659 4.898 -15.035 1.00 25.00 H new ATOM 0 HA LEU B 11 2.805 4.961 -14.726 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.465 4.112 -13.076 1.00 25.00 H new ATOM 0 HB3 LEU B 11 5.071 5.743 -12.868 1.00 25.00 H new ATOM 0 HG LEU B 11 3.106 6.450 -11.752 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.166 5.048 -11.295 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.371 5.374 -13.033 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.827 3.788 -12.365 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.092 4.779 -9.837 1.00 25.00 H new ATOM 0 HD22 LEU B 11 3.861 3.583 -10.908 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.744 5.056 -10.440 1.00 25.00 H new ATOM 488 N VAL B 12 4.456 7.796 -14.806 1.00 25.00 N ATOM 489 CA VAL B 12 4.302 9.241 -14.970 1.00 25.00 C ATOM 490 C VAL B 12 3.488 9.549 -16.230 1.00 25.00 C ATOM 491 O VAL B 12 2.554 10.340 -16.202 1.00 25.00 O ATOM 492 CB VAL B 12 5.698 9.928 -15.058 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.565 11.438 -15.219 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.525 9.610 -13.799 1.00 25.00 C ATOM 0 H VAL B 12 5.422 7.471 -14.836 1.00 25.00 H new ATOM 0 HA VAL B 12 3.771 9.632 -14.102 1.00 25.00 H new ATOM 0 HB VAL B 12 6.208 9.535 -15.938 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.557 11.886 -15.277 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.013 11.659 -16.132 1.00 25.00 H new ATOM 0 HG13 VAL B 12 5.030 11.850 -14.363 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.499 10.095 -13.871 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.001 9.978 -12.917 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.662 8.532 -13.716 1.00 25.00 H new ATOM 504 N GLU B 13 3.813 8.892 -17.334 1.00 25.00 N ATOM 505 CA GLU B 13 3.107 9.139 -18.590 1.00 25.00 C ATOM 506 C GLU B 13 1.672 8.628 -18.556 1.00 25.00 C ATOM 507 O GLU B 13 0.797 9.170 -19.223 1.00 25.00 O ATOM 508 CB GLU B 13 3.862 8.516 -19.764 1.00 25.00 C ATOM 509 CG GLU B 13 5.244 9.144 -19.987 1.00 25.00 C ATOM 510 CD GLU B 13 5.194 10.645 -20.058 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.768 11.361 -19.291 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.457 11.097 -21.007 1.00 25.00 O ATOM 0 H GLU B 13 4.552 8.191 -17.390 1.00 25.00 H new ATOM 0 HA GLU B 13 3.065 10.220 -18.724 1.00 25.00 H new ATOM 0 HB2 GLU B 13 3.979 7.447 -19.588 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.268 8.627 -20.671 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.910 8.845 -19.177 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.671 8.755 -20.911 1.00 25.00 H new ATOM 520 N ALA B 14 1.414 7.614 -17.749 1.00 25.00 N ATOM 521 CA ALA B 14 0.053 7.124 -17.590 1.00 25.00 C ATOM 522 C ALA B 14 -0.766 8.170 -16.831 1.00 25.00 C ATOM 523 O ALA B 14 -1.906 8.449 -17.180 1.00 25.00 O ATOM 524 CB ALA B 14 0.057 5.803 -16.842 1.00 25.00 C ATOM 0 H ALA B 14 2.117 7.119 -17.200 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.395 6.957 -18.569 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.967 5.446 -16.729 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.637 5.070 -17.402 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.503 5.944 -15.857 1.00 25.00 H new ATOM 530 N LEU B 15 -0.166 8.751 -15.802 1.00 25.00 N ATOM 531 CA LEU B 15 -0.838 9.762 -14.991 1.00 25.00 C ATOM 532 C LEU B 15 -1.139 11.024 -15.790 1.00 25.00 C ATOM 533 O LEU B 15 -2.192 11.635 -15.598 1.00 25.00 O ATOM 534 CB LEU B 15 0.016 10.112 -13.771 1.00 25.00 C ATOM 535 CG LEU B 15 0.083 9.043 -12.668 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.122 9.410 -11.610 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.271 8.882 -12.033 1.00 25.00 C ATOM 0 H LEU B 15 0.787 8.540 -15.507 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.788 9.340 -14.664 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.031 10.320 -14.110 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.370 11.033 -13.334 1.00 25.00 H new ATOM 0 HG LEU B 15 0.384 8.098 -13.121 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.148 8.637 -10.842 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.104 9.491 -12.077 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.857 10.364 -11.155 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.219 8.123 -11.252 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.584 9.831 -11.597 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.993 8.575 -12.789 1.00 25.00 H new ATOM 549 N TYR B 16 -0.268 11.362 -16.734 1.00 25.00 N ATOM 550 CA TYR B 16 -0.506 12.495 -17.635 1.00 25.00 C ATOM 551 C TYR B 16 -1.845 12.332 -18.340 1.00 25.00 C ATOM 552 O TYR B 16 -2.607 13.277 -18.464 1.00 25.00 O ATOM 553 CB TYR B 16 0.583 12.581 -18.711 1.00 25.00 C ATOM 554 CG TYR B 16 1.701 13.547 -18.405 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.498 14.939 -18.504 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.979 13.082 -18.037 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.552 15.851 -18.226 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.037 13.989 -17.772 1.00 25.00 C ATOM 559 CZ TYR B 16 3.810 15.365 -17.864 1.00 25.00 C ATOM 560 OH TYR B 16 4.829 16.245 -17.609 1.00 25.00 O ATOM 0 H TYR B 16 0.611 10.871 -16.899 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.498 13.401 -17.029 1.00 25.00 H new ATOM 0 HB2 TYR B 16 1.009 11.588 -18.857 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.120 12.870 -19.654 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.529 15.317 -18.795 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.156 12.020 -17.955 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.381 16.915 -18.294 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.014 13.618 -17.500 1.00 25.00 H new ATOM 0 HH TYR B 16 5.639 15.747 -17.369 1.00 25.00 H new ATOM 570 N LEU B 17 -2.128 11.129 -18.814 1.00 25.00 N ATOM 571 CA LEU B 17 -3.377 10.875 -19.524 1.00 25.00 C ATOM 572 C LEU B 17 -4.595 10.872 -18.608 1.00 25.00 C ATOM 573 O LEU B 17 -5.652 11.369 -18.971 1.00 25.00 O ATOM 574 CB LEU B 17 -3.319 9.522 -20.224 1.00 25.00 C ATOM 575 CG LEU B 17 -2.246 9.341 -21.310 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.207 7.874 -21.738 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.514 10.232 -22.525 1.00 25.00 C ATOM 0 H LEU B 17 -1.517 10.317 -18.723 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.485 11.690 -20.240 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.165 8.755 -19.465 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.293 9.333 -20.676 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.283 9.636 -20.893 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.448 7.740 -22.508 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.965 7.250 -20.877 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.180 7.584 -22.134 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.734 10.075 -23.270 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.483 9.979 -22.955 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.516 11.277 -22.216 1.00 25.00 H new ATOM 589 N VAL B 18 -4.464 10.244 -17.450 1.00 25.00 N ATOM 590 CA VAL B 18 -5.606 10.052 -16.550 1.00 25.00 C ATOM 591 C VAL B 18 -6.029 11.357 -15.894 1.00 25.00 C ATOM 592 O VAL B 18 -7.221 11.667 -15.815 1.00 25.00 O ATOM 593 CB VAL B 18 -5.269 8.999 -15.456 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.405 8.864 -14.442 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.019 7.649 -16.113 1.00 25.00 C ATOM 0 H VAL B 18 -3.585 9.858 -17.106 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.438 9.690 -17.154 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.377 9.334 -14.927 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.137 8.120 -13.692 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.575 9.825 -13.956 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.315 8.551 -14.954 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.783 6.910 -15.347 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.912 7.337 -16.655 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.183 7.732 -16.808 1.00 25.00 H new ATOM 605 N CYS B 19 -5.067 12.135 -15.431 1.00 25.00 N ATOM 606 CA CYS B 19 -5.405 13.402 -14.795 1.00 25.00 C ATOM 607 C CYS B 19 -5.487 14.533 -15.822 1.00 25.00 C ATOM 608 O CYS B 19 -6.127 15.560 -15.571 1.00 25.00 O ATOM 609 CB CYS B 19 -4.456 13.714 -13.636 1.00 25.00 C ATOM 610 SG CYS B 19 -5.277 13.288 -12.060 1.00 25.00 S ATOM 0 H CYS B 19 -4.070 11.923 -15.479 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.400 13.310 -14.359 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.532 13.147 -13.744 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -4.185 14.770 -13.646 1.00 25.00 H new ATOM 615 N GLY B 20 -4.946 14.314 -17.012 1.00 25.00 N ATOM 616 CA GLY B 20 -5.078 15.295 -18.074 1.00 25.00 C ATOM 617 C GLY B 20 -4.393 16.612 -17.765 1.00 25.00 C ATOM 618 O GLY B 20 -3.417 16.677 -17.023 1.00 25.00 O ATOM 0 H GLY B 20 -4.419 13.477 -17.262 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.660 14.883 -18.993 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.136 15.479 -18.259 1.00 25.00 H new ATOM 622 N GLU B 21 -4.944 17.683 -18.323 1.00 25.00 N ATOM 623 CA GLU B 21 -4.393 19.035 -18.160 1.00 25.00 C ATOM 624 C GLU B 21 -4.510 19.578 -16.729 1.00 25.00 C ATOM 625 O GLU B 21 -3.989 20.641 -16.428 1.00 25.00 O ATOM 626 CB GLU B 21 -5.099 20.003 -19.120 1.00 25.00 C ATOM 627 CG GLU B 21 -4.962 19.638 -20.605 1.00 25.00 C ATOM 628 CD GLU B 21 -3.528 19.576 -21.057 1.00 25.00 C ATOM 629 OE1 GLU B 21 -2.706 20.394 -20.764 1.00 25.00 O ATOM 630 OE2 GLU B 21 -3.262 18.541 -21.790 1.00 25.00 O ATOM 0 H GLU B 21 -5.784 17.646 -18.901 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.330 18.960 -18.389 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.158 20.041 -18.864 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.698 21.005 -18.966 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.437 18.673 -20.783 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -5.497 20.373 -21.207 1.00 25.00 H new ATOM 638 N ARG B 22 -5.192 18.853 -15.848 1.00 25.00 N ATOM 639 CA ARG B 22 -5.326 19.269 -14.446 1.00 25.00 C ATOM 640 C ARG B 22 -3.992 19.137 -13.722 1.00 25.00 C ATOM 641 O ARG B 22 -3.779 19.755 -12.686 1.00 25.00 O ATOM 642 CB ARG B 22 -6.364 18.408 -13.726 1.00 25.00 C ATOM 643 CG ARG B 22 -7.780 18.574 -14.271 1.00 25.00 C ATOM 644 CD ARG B 22 -8.751 17.599 -13.612 1.00 25.00 C ATOM 645 NE ARG B 22 -8.509 16.213 -14.049 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.246 15.161 -13.712 1.00 25.00 C ATOM 647 NH1 ARG B 22 -10.281 15.259 -12.913 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.942 13.989 -14.195 1.00 25.00 N ATOM 0 H ARG B 22 -5.661 17.976 -16.074 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.647 20.311 -14.436 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.073 17.361 -13.806 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.360 18.660 -12.665 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.118 19.596 -14.102 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.777 18.413 -15.349 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.651 17.662 -12.528 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.775 17.884 -13.855 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.710 16.048 -14.661 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.544 16.166 -12.528 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.823 14.428 -12.677 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.146 13.888 -14.824 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.500 13.173 -13.944 1.00 25.00 H new ATOM 662 N GLY B 23 -3.107 18.318 -14.272 1.00 25.00 N ATOM 663 CA GLY B 23 -1.817 18.086 -13.653 1.00 25.00 C ATOM 664 C GLY B 23 -1.901 17.007 -12.592 1.00 25.00 C ATOM 665 O GLY B 23 -2.982 16.517 -12.269 1.00 25.00 O ATOM 0 H GLY B 23 -3.260 17.807 -15.141 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.093 17.795 -14.414 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.454 19.011 -13.206 1.00 25.00 H new ATOM 669 N PHE B 24 -0.745 16.608 -12.090 1.00 25.00 N ATOM 670 CA PHE B 24 -0.625 15.544 -11.098 1.00 25.00 C ATOM 671 C PHE B 24 0.792 15.660 -10.568 1.00 25.00 C ATOM 672 O PHE B 24 1.575 16.448 -11.092 1.00 25.00 O ATOM 673 CB PHE B 24 -0.815 14.168 -11.749 1.00 25.00 C ATOM 674 CG PHE B 24 0.270 13.808 -12.716 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.256 14.313 -14.025 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.325 12.969 -12.320 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.286 13.994 -14.928 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.355 12.631 -13.218 1.00 25.00 C ATOM 679 CZ PHE B 24 2.335 13.150 -14.528 1.00 25.00 C ATOM 0 H PHE B 24 0.150 17.016 -12.361 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.379 15.639 -10.316 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.861 13.409 -10.968 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.773 14.150 -12.268 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.554 14.953 -14.342 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.346 12.578 -11.313 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.270 14.398 -15.929 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.156 11.978 -12.905 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.124 12.900 -15.222 1.00 25.00 H new ATOM 689 N PHE B 25 1.151 14.825 -9.606 1.00 25.00 N ATOM 690 CA PHE B 25 2.534 14.731 -9.159 1.00 25.00 C ATOM 691 C PHE B 25 2.840 13.253 -8.981 1.00 25.00 C ATOM 692 O PHE B 25 1.929 12.429 -8.910 1.00 25.00 O ATOM 693 CB PHE B 25 2.751 15.493 -7.846 1.00 25.00 C ATOM 694 CG PHE B 25 2.097 14.848 -6.655 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.744 15.095 -6.359 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.833 13.985 -5.817 1.00 25.00 C ATOM 697 CE1 PHE B 25 0.124 14.482 -5.249 1.00 25.00 C ATOM 698 CE2 PHE B 25 2.222 13.365 -4.701 1.00 25.00 C ATOM 699 CZ PHE B 25 0.864 13.609 -4.422 1.00 25.00 C ATOM 0 H PHE B 25 0.506 14.203 -9.119 1.00 25.00 H new ATOM 0 HA PHE B 25 3.202 15.183 -9.892 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.821 15.579 -7.659 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.365 16.506 -7.957 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.173 15.761 -6.988 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.875 13.795 -6.029 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -0.915 14.680 -5.032 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.796 12.707 -4.065 1.00 25.00 H new ATOM 0 HZ PHE B 25 0.390 13.130 -3.578 1.00 25.00 H new ATOM 709 N TYR B 26 4.115 12.918 -8.897 1.00 25.00 N ATOM 710 CA TYR B 26 4.535 11.544 -8.670 1.00 25.00 C ATOM 711 C TYR B 26 5.758 11.589 -7.778 1.00 25.00 C ATOM 712 O TYR B 26 6.586 12.481 -7.910 1.00 25.00 O ATOM 713 CB TYR B 26 4.870 10.851 -9.994 1.00 25.00 C ATOM 714 CG TYR B 26 5.494 9.489 -9.786 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.759 8.443 -9.192 1.00 25.00 C ATOM 716 CD2 TYR B 26 6.835 9.247 -10.151 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.359 7.179 -8.955 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.429 7.978 -9.931 1.00 25.00 C ATOM 719 CZ TYR B 26 6.688 6.960 -9.331 1.00 25.00 C ATOM 720 OH TYR B 26 7.267 5.736 -9.108 1.00 25.00 O ATOM 0 H TYR B 26 4.884 13.583 -8.983 1.00 25.00 H new ATOM 0 HA TYR B 26 3.732 10.976 -8.200 1.00 25.00 H new ATOM 0 HB2 TYR B 26 3.961 10.745 -10.587 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.553 11.478 -10.567 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.728 8.605 -8.914 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.416 10.037 -10.603 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.791 6.389 -8.486 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.452 7.800 -10.227 1.00 25.00 H new ATOM 0 HH TYR B 26 8.193 5.749 -9.428 1.00 25.00 H new ATOM 730 N THR B 27 5.869 10.636 -6.864 1.00 25.00 N ATOM 731 CA THR B 27 7.005 10.569 -5.952 1.00 25.00 C ATOM 732 C THR B 27 7.915 9.386 -6.313 1.00 25.00 C ATOM 733 O THR B 27 7.658 8.236 -5.918 1.00 25.00 O ATOM 734 CB THR B 27 6.527 10.453 -4.489 1.00 25.00 C ATOM 735 OG1 THR B 27 5.526 9.437 -4.380 1.00 25.00 O ATOM 736 CG2 THR B 27 5.910 11.758 -4.022 1.00 25.00 C ATOM 0 H THR B 27 5.182 9.893 -6.733 1.00 25.00 H new ATOM 0 HA THR B 27 7.577 11.491 -6.053 1.00 25.00 H new ATOM 0 HB THR B 27 7.394 10.208 -3.875 1.00 25.00 H new ATOM 0 HG1 THR B 27 5.847 8.615 -4.805 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.580 11.655 -2.988 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.651 12.555 -4.088 1.00 25.00 H new ATOM 0 HG23 THR B 27 5.056 12.003 -4.653 1.00 25.00 H new ATOM 744 N PRO B 28 9.008 9.646 -7.058 1.00 25.00 N ATOM 745 CA PRO B 28 9.909 8.533 -7.369 1.00 25.00 C ATOM 746 C PRO B 28 10.645 8.058 -6.123 1.00 25.00 C ATOM 747 O PRO B 28 10.612 8.716 -5.082 1.00 25.00 O ATOM 748 CB PRO B 28 10.870 9.148 -8.389 1.00 25.00 C ATOM 749 CG PRO B 28 10.928 10.574 -8.015 1.00 25.00 C ATOM 750 CD PRO B 28 9.512 10.913 -7.627 1.00 25.00 C ATOM 0 HA PRO B 28 9.393 7.650 -7.747 1.00 25.00 H new ATOM 0 HB2 PRO B 28 11.854 8.683 -8.340 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.506 9.018 -9.408 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.618 10.741 -7.188 1.00 25.00 H new ATOM 0 HG3 PRO B 28 11.271 11.190 -8.846 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.477 11.724 -6.899 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.923 11.231 -8.488 1.00 25.00 H new ATOM 758 N LYS B 29 11.281 6.901 -6.212 1.00 25.00 N ATOM 759 CA LYS B 29 12.000 6.330 -5.072 1.00 25.00 C ATOM 760 C LYS B 29 13.456 6.153 -5.465 1.00 25.00 C ATOM 761 O LYS B 29 13.821 5.212 -6.149 1.00 25.00 O ATOM 762 CB LYS B 29 11.374 4.985 -4.666 1.00 25.00 C ATOM 763 CG LYS B 29 9.891 5.056 -4.217 1.00 25.00 C ATOM 764 CD LYS B 29 9.705 5.439 -2.727 1.00 25.00 C ATOM 765 CE LYS B 29 9.725 6.956 -2.449 1.00 25.00 C ATOM 766 NZ LYS B 29 8.615 7.708 -3.136 1.00 25.00 N ATOM 0 H LYS B 29 11.317 6.335 -7.060 1.00 25.00 H new ATOM 0 HA LYS B 29 11.933 6.997 -4.213 1.00 25.00 H new ATOM 0 HB2 LYS B 29 11.449 4.298 -5.509 1.00 25.00 H new ATOM 0 HB3 LYS B 29 11.963 4.559 -3.854 1.00 25.00 H new ATOM 0 HG2 LYS B 29 9.368 5.784 -4.837 1.00 25.00 H new ATOM 0 HG3 LYS B 29 9.421 4.089 -4.395 1.00 25.00 H new ATOM 0 HD2 LYS B 29 8.757 5.031 -2.376 1.00 25.00 H new ATOM 0 HD3 LYS B 29 10.493 4.965 -2.142 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.654 7.121 -1.374 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.683 7.364 -2.771 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 8.229 8.425 -2.489 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 8.987 8.174 -3.988 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 7.861 7.044 -3.406 1.00 25.00 H new ATOM 780 N THR B 30 14.261 7.125 -5.057 1.00 25.00 N ATOM 781 CA THR B 30 15.695 7.185 -5.359 1.00 25.00 C ATOM 782 C THR B 30 16.581 6.789 -4.178 1.00 25.00 C ATOM 783 O THR B 30 17.743 6.488 -4.287 1.00 25.00 O ATOM 784 CB THR B 30 16.037 8.608 -5.826 1.00 25.00 C ATOM 785 OG1 THR B 30 15.368 9.518 -4.954 1.00 25.00 O ATOM 786 CG2 THR B 30 15.505 8.871 -7.246 1.00 25.00 C ATOM 787 OXT THR B 30 16.005 6.818 -3.016 1.00 25.00 O ATOM 0 H THR B 30 13.934 7.912 -4.496 1.00 25.00 H new ATOM 0 HA THR B 30 15.899 6.456 -6.144 1.00 25.00 H new ATOM 0 HB THR B 30 17.120 8.731 -5.818 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.568 10.438 -5.225 1.00 25.00 H new ATOM 0 HG21 THR B 30 15.762 9.886 -7.549 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.954 8.160 -7.940 1.00 25.00 H new ATOM 0 HG23 THR B 30 14.421 8.753 -7.256 1.00 25.00 H new TER 796 THR B 30