USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.0048) USER MOD Single : A 8 THR OG1 : rot 180:sc= -3.15! USER MOD Single : A 9 SER OG : rot 180:sc= 0.0706 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.00089) USER MOD Single : A 18 ASN : amide:sc= -0.315 K(o=-0.32,f=-2.7!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.293 K(o=-0.29,f=-3.1!) USER MOD Single : B 1 PHE N :NH3+ -119:sc= 0.88 (180deg=0.367) USER MOD Single : B 3 ASN : amide:sc= -0.48! C(o=-0.48!,f=-8.8!) USER MOD Single : B 4 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : B 5 HIS : no HD1:sc= -9.11! C(o=-9.1!,f=-13!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -2.68! USER MOD Single : B 27 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -36:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.446 5.284 2.646 1.00 0.00 N ATOM 2 CA GLY A 1 -1.441 6.011 3.539 1.00 0.00 C ATOM 3 C GLY A 1 0.016 5.877 3.258 1.00 0.00 C ATOM 4 O GLY A 1 0.817 6.684 3.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.412 5.482 2.977 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.342 5.614 1.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.269 4.260 2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.684 7.073 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.609 5.675 4.562 1.00 0.00 H new ATOM 10 N ILE A 2 0.396 4.860 2.536 1.00 0.00 N ATOM 11 CA ILE A 2 1.838 4.672 2.222 1.00 0.00 C ATOM 12 C ILE A 2 2.208 5.541 1.015 1.00 0.00 C ATOM 13 O ILE A 2 3.236 6.191 0.997 1.00 0.00 O ATOM 14 CB ILE A 2 2.101 3.189 1.921 1.00 0.00 C ATOM 15 CG1 ILE A 2 3.586 2.874 2.154 1.00 0.00 C ATOM 16 CG2 ILE A 2 1.716 2.866 0.474 1.00 0.00 C ATOM 17 CD1 ILE A 2 4.414 3.273 0.928 1.00 0.00 C ATOM 0 H ILE A 2 -0.229 4.152 2.151 1.00 0.00 H new ATOM 0 HA ILE A 2 2.451 4.972 3.072 1.00 0.00 H new ATOM 0 HB ILE A 2 1.494 2.576 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.945 3.409 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.712 1.810 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.907 1.812 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.657 3.078 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.309 3.478 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 2 5.464 3.044 1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.065 2.718 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.302 4.342 0.745 1.00 0.00 H new ATOM 29 N VAL A 3 1.381 5.553 0.005 1.00 0.00 N ATOM 30 CA VAL A 3 1.695 6.381 -1.201 1.00 0.00 C ATOM 31 C VAL A 3 2.093 7.792 -0.771 1.00 0.00 C ATOM 32 O VAL A 3 3.110 8.307 -1.179 1.00 0.00 O ATOM 33 CB VAL A 3 0.479 6.473 -2.133 1.00 0.00 C ATOM 34 CG1 VAL A 3 0.169 5.098 -2.722 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.741 6.989 -1.359 1.00 0.00 C ATOM 0 H VAL A 3 0.506 5.030 -0.040 1.00 0.00 H new ATOM 0 HA VAL A 3 2.518 5.904 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 3 0.708 7.167 -2.941 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.695 5.171 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.030 4.743 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.049 4.398 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.598 7.050 -2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.969 6.306 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.524 7.978 -0.956 1.00 0.00 H new ATOM 45 N GLU A 4 1.296 8.433 0.038 1.00 0.00 N ATOM 46 CA GLU A 4 1.642 9.816 0.468 1.00 0.00 C ATOM 47 C GLU A 4 2.924 9.794 1.302 1.00 0.00 C ATOM 48 O GLU A 4 3.568 10.808 1.492 1.00 0.00 O ATOM 49 CB GLU A 4 0.497 10.395 1.300 1.00 0.00 C ATOM 50 CG GLU A 4 -0.795 10.358 0.482 1.00 0.00 C ATOM 51 CD GLU A 4 -1.957 10.868 1.337 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.691 11.507 2.342 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.092 10.612 0.971 1.00 0.00 O ATOM 0 H GLU A 4 0.425 8.062 0.418 1.00 0.00 H new ATOM 0 HA GLU A 4 1.799 10.438 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.375 9.822 2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.727 11.420 1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.690 10.974 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.996 9.341 0.146 1.00 0.00 H new ATOM 60 N GLN A 5 3.303 8.651 1.801 1.00 0.00 N ATOM 61 CA GLN A 5 4.546 8.574 2.620 1.00 0.00 C ATOM 62 C GLN A 5 5.762 8.540 1.692 1.00 0.00 C ATOM 63 O GLN A 5 6.799 9.095 1.992 1.00 0.00 O ATOM 64 CB GLN A 5 4.517 7.305 3.473 1.00 0.00 C ATOM 65 CG GLN A 5 5.171 7.584 4.827 1.00 0.00 C ATOM 66 CD GLN A 5 4.091 7.684 5.905 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.955 8.703 6.553 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.311 6.661 6.127 1.00 0.00 N ATOM 0 H GLN A 5 2.807 7.768 1.678 1.00 0.00 H new ATOM 0 HA GLN A 5 4.609 9.446 3.271 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.488 6.974 3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.044 6.499 2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.874 6.788 5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.742 8.511 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.425 5.805 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.588 6.717 6.844 1.00 0.00 H new ATOM 77 N CYS A 6 5.640 7.888 0.568 1.00 0.00 N ATOM 78 CA CYS A 6 6.788 7.814 -0.380 1.00 0.00 C ATOM 79 C CYS A 6 6.532 8.739 -1.569 1.00 0.00 C ATOM 80 O CYS A 6 7.441 9.317 -2.132 1.00 0.00 O ATOM 81 CB CYS A 6 6.942 6.375 -0.869 1.00 0.00 C ATOM 82 SG CYS A 6 8.228 5.544 0.095 1.00 0.00 S ATOM 0 H CYS A 6 4.795 7.403 0.265 1.00 0.00 H new ATOM 0 HA CYS A 6 7.702 8.127 0.125 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.996 5.842 -0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.203 6.365 -1.927 1.00 0.00 H new ATOM 87 N CYS A 7 5.297 8.885 -1.949 1.00 0.00 N ATOM 88 CA CYS A 7 4.958 9.772 -3.097 1.00 0.00 C ATOM 89 C CYS A 7 5.062 11.232 -2.653 1.00 0.00 C ATOM 90 O CYS A 7 5.233 12.126 -3.458 1.00 0.00 O ATOM 91 CB CYS A 7 3.532 9.469 -3.568 1.00 0.00 C ATOM 92 SG CYS A 7 3.461 9.589 -5.374 1.00 0.00 S ATOM 0 H CYS A 7 4.499 8.425 -1.511 1.00 0.00 H new ATOM 0 HA CYS A 7 5.651 9.596 -3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.235 8.471 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.831 10.171 -3.117 1.00 0.00 H new ATOM 97 N THR A 8 4.974 11.476 -1.375 1.00 0.00 N ATOM 98 CA THR A 8 5.080 12.872 -0.873 1.00 0.00 C ATOM 99 C THR A 8 6.332 12.993 -0.010 1.00 0.00 C ATOM 100 O THR A 8 7.237 13.750 -0.299 1.00 0.00 O ATOM 101 CB THR A 8 3.845 13.212 -0.036 1.00 0.00 C ATOM 102 OG1 THR A 8 2.809 12.284 -0.327 1.00 0.00 O ATOM 103 CG2 THR A 8 3.374 14.628 -0.368 1.00 0.00 C ATOM 0 H THR A 8 4.833 10.766 -0.656 1.00 0.00 H new ATOM 0 HA THR A 8 5.142 13.563 -1.714 1.00 0.00 H new ATOM 0 HB THR A 8 4.096 13.156 1.023 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.017 12.499 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.494 14.868 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.170 15.338 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.121 14.689 -1.427 1.00 0.00 H new ATOM 111 N SER A 9 6.385 12.239 1.044 1.00 0.00 N ATOM 112 CA SER A 9 7.572 12.281 1.944 1.00 0.00 C ATOM 113 C SER A 9 8.539 11.159 1.557 1.00 0.00 C ATOM 114 O SER A 9 8.347 10.475 0.571 1.00 0.00 O ATOM 115 CB SER A 9 7.113 12.084 3.388 1.00 0.00 C ATOM 116 OG SER A 9 5.741 11.716 3.399 1.00 0.00 O ATOM 0 H SER A 9 5.653 11.588 1.327 1.00 0.00 H new ATOM 0 HA SER A 9 8.075 13.243 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.712 11.312 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.260 13.002 3.957 1.00 0.00 H new ATOM 0 HG SER A 9 5.444 11.587 4.324 1.00 0.00 H new ATOM 122 N ILE A 10 9.577 10.962 2.325 1.00 0.00 N ATOM 123 CA ILE A 10 10.549 9.880 1.996 1.00 0.00 C ATOM 124 C ILE A 10 10.342 8.702 2.950 1.00 0.00 C ATOM 125 O ILE A 10 9.924 8.871 4.078 1.00 0.00 O ATOM 126 CB ILE A 10 11.980 10.406 2.151 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.304 11.375 1.011 1.00 0.00 C ATOM 128 CG2 ILE A 10 12.963 9.236 2.112 1.00 0.00 C ATOM 129 CD1 ILE A 10 11.382 12.590 1.098 1.00 0.00 C ATOM 0 H ILE A 10 9.793 11.502 3.163 1.00 0.00 H new ATOM 0 HA ILE A 10 10.389 9.555 0.968 1.00 0.00 H new ATOM 0 HB ILE A 10 12.067 10.927 3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.346 11.690 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.178 10.877 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.980 9.612 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.740 8.547 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.870 8.714 1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.612 13.280 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.345 12.266 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.530 13.092 2.054 1.00 0.00 H new ATOM 141 N CYS A 11 10.639 7.511 2.510 1.00 0.00 N ATOM 142 CA CYS A 11 10.467 6.326 3.399 1.00 0.00 C ATOM 143 C CYS A 11 11.752 5.498 3.379 1.00 0.00 C ATOM 144 O CYS A 11 12.465 5.466 2.396 1.00 0.00 O ATOM 145 CB CYS A 11 9.297 5.452 2.921 1.00 0.00 C ATOM 146 SG CYS A 11 8.145 6.422 1.912 1.00 0.00 S ATOM 0 H CYS A 11 10.993 7.306 1.575 1.00 0.00 H new ATOM 0 HA CYS A 11 10.253 6.673 4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.678 4.611 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.773 5.035 3.781 1.00 0.00 H new ATOM 151 N SER A 12 12.055 4.829 4.456 1.00 0.00 N ATOM 152 CA SER A 12 13.295 4.004 4.498 1.00 0.00 C ATOM 153 C SER A 12 12.933 2.529 4.313 1.00 0.00 C ATOM 154 O SER A 12 11.829 2.112 4.602 1.00 0.00 O ATOM 155 CB SER A 12 13.986 4.193 5.848 1.00 0.00 C ATOM 156 OG SER A 12 13.114 3.762 6.885 1.00 0.00 O ATOM 0 H SER A 12 11.497 4.818 5.310 1.00 0.00 H new ATOM 0 HA SER A 12 13.967 4.316 3.698 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.915 3.623 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 12 14.250 5.241 5.991 1.00 0.00 H new ATOM 0 HG SER A 12 13.554 3.880 7.753 1.00 0.00 H new ATOM 162 N LEU A 13 13.853 1.736 3.838 1.00 0.00 N ATOM 163 CA LEU A 13 13.557 0.289 3.641 1.00 0.00 C ATOM 164 C LEU A 13 12.825 -0.243 4.874 1.00 0.00 C ATOM 165 O LEU A 13 11.873 -0.992 4.768 1.00 0.00 O ATOM 166 CB LEU A 13 14.865 -0.480 3.450 1.00 0.00 C ATOM 167 CG LEU A 13 15.438 -0.180 2.065 1.00 0.00 C ATOM 168 CD1 LEU A 13 16.461 0.952 2.170 1.00 0.00 C ATOM 169 CD2 LEU A 13 16.122 -1.434 1.515 1.00 0.00 C ATOM 0 H LEU A 13 14.796 2.027 3.578 1.00 0.00 H new ATOM 0 HA LEU A 13 12.932 0.158 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.582 -0.196 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.689 -1.550 3.558 1.00 0.00 H new ATOM 0 HG LEU A 13 14.632 0.120 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 13 16.870 1.166 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.976 1.845 2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 13 17.268 0.653 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 13 16.531 -1.222 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.928 -1.732 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.394 -2.242 1.440 1.00 0.00 H new ATOM 181 N TYR A 14 13.255 0.144 6.044 1.00 0.00 N ATOM 182 CA TYR A 14 12.579 -0.333 7.281 1.00 0.00 C ATOM 183 C TYR A 14 11.083 -0.036 7.176 1.00 0.00 C ATOM 184 O TYR A 14 10.254 -0.913 7.314 1.00 0.00 O ATOM 185 CB TYR A 14 13.162 0.395 8.493 1.00 0.00 C ATOM 186 CG TYR A 14 12.327 0.087 9.714 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.577 -1.072 10.459 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.303 0.962 10.100 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.803 -1.356 11.593 1.00 0.00 C ATOM 190 CE2 TYR A 14 10.529 0.677 11.234 1.00 0.00 C ATOM 191 CZ TYR A 14 10.779 -0.482 11.979 1.00 0.00 C ATOM 192 OH TYR A 14 10.017 -0.762 13.095 1.00 0.00 O ATOM 0 H TYR A 14 14.046 0.770 6.195 1.00 0.00 H new ATOM 0 HA TYR A 14 12.734 -1.406 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 14 14.194 0.083 8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.179 1.470 8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.366 -1.747 10.160 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.110 1.855 9.525 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.996 -2.249 12.169 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.740 1.351 11.533 1.00 0.00 H new ATOM 0 HH TYR A 14 9.352 -0.054 13.223 1.00 0.00 H new ATOM 202 N GLN A 15 10.734 1.196 6.925 1.00 0.00 N ATOM 203 CA GLN A 15 9.293 1.549 6.802 1.00 0.00 C ATOM 204 C GLN A 15 8.721 0.882 5.551 1.00 0.00 C ATOM 205 O GLN A 15 7.585 0.453 5.526 1.00 0.00 O ATOM 206 CB GLN A 15 9.147 3.067 6.683 1.00 0.00 C ATOM 207 CG GLN A 15 9.278 3.704 8.067 1.00 0.00 C ATOM 208 CD GLN A 15 7.887 4.020 8.620 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.213 3.150 9.136 1.00 0.00 O ATOM 210 NE2 GLN A 15 7.425 5.238 8.534 1.00 0.00 N ATOM 0 H GLN A 15 11.384 1.972 6.800 1.00 0.00 H new ATOM 0 HA GLN A 15 8.753 1.203 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.911 3.465 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.180 3.317 6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.804 3.028 8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.871 4.616 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.990 5.968 8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.499 5.459 8.900 1.00 0.00 H new ATOM 219 N LEU A 16 9.506 0.785 4.512 1.00 0.00 N ATOM 220 CA LEU A 16 9.017 0.141 3.262 1.00 0.00 C ATOM 221 C LEU A 16 8.861 -1.358 3.497 1.00 0.00 C ATOM 222 O LEU A 16 8.050 -2.016 2.875 1.00 0.00 O ATOM 223 CB LEU A 16 10.024 0.383 2.134 1.00 0.00 C ATOM 224 CG LEU A 16 9.306 0.977 0.922 1.00 0.00 C ATOM 225 CD1 LEU A 16 10.067 2.208 0.431 1.00 0.00 C ATOM 226 CD2 LEU A 16 9.253 -0.065 -0.194 1.00 0.00 C ATOM 0 H LEU A 16 10.467 1.125 4.476 1.00 0.00 H new ATOM 0 HA LEU A 16 8.054 0.568 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.808 1.060 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.509 -0.554 1.859 1.00 0.00 H new ATOM 0 HG LEU A 16 8.293 1.265 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.555 2.631 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.110 2.951 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.080 1.921 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.742 0.355 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.267 -0.350 -0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.712 -0.945 0.155 1.00 0.00 H new ATOM 238 N GLU A 17 9.630 -1.903 4.394 1.00 0.00 N ATOM 239 CA GLU A 17 9.526 -3.361 4.673 1.00 0.00 C ATOM 240 C GLU A 17 8.330 -3.610 5.585 1.00 0.00 C ATOM 241 O GLU A 17 7.833 -4.714 5.692 1.00 0.00 O ATOM 242 CB GLU A 17 10.808 -3.853 5.351 1.00 0.00 C ATOM 243 CG GLU A 17 11.969 -3.776 4.360 1.00 0.00 C ATOM 244 CD GLU A 17 13.295 -3.810 5.121 1.00 0.00 C ATOM 245 OE1 GLU A 17 13.360 -3.215 6.184 1.00 0.00 O ATOM 246 OE2 GLU A 17 14.222 -4.430 4.628 1.00 0.00 O ATOM 0 H GLU A 17 10.326 -1.403 4.947 1.00 0.00 H new ATOM 0 HA GLU A 17 9.392 -3.904 3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.024 -3.245 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.679 -4.878 5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.918 -4.610 3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.899 -2.861 3.772 1.00 0.00 H new ATOM 253 N ASN A 18 7.846 -2.584 6.227 1.00 0.00 N ATOM 254 CA ASN A 18 6.665 -2.750 7.110 1.00 0.00 C ATOM 255 C ASN A 18 5.417 -2.892 6.234 1.00 0.00 C ATOM 256 O ASN A 18 4.315 -3.047 6.720 1.00 0.00 O ATOM 257 CB ASN A 18 6.522 -1.513 7.996 1.00 0.00 C ATOM 258 CG ASN A 18 7.140 -1.790 9.368 1.00 0.00 C ATOM 259 OD1 ASN A 18 7.214 -2.926 9.794 1.00 0.00 O ATOM 260 ND2 ASN A 18 7.590 -0.795 10.081 1.00 0.00 N ATOM 0 H ASN A 18 8.220 -1.636 6.176 1.00 0.00 H new ATOM 0 HA ASN A 18 6.785 -3.634 7.737 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.015 -0.660 7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.469 -1.252 8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.004 -0.970 10.997 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.528 0.158 9.723 1.00 0.00 H new ATOM 267 N TYR A 19 5.587 -2.826 4.938 1.00 0.00 N ATOM 268 CA TYR A 19 4.429 -2.941 4.020 1.00 0.00 C ATOM 269 C TYR A 19 4.448 -4.314 3.345 1.00 0.00 C ATOM 270 O TYR A 19 3.485 -4.729 2.729 1.00 0.00 O ATOM 271 CB TYR A 19 4.539 -1.837 2.970 1.00 0.00 C ATOM 272 CG TYR A 19 4.362 -0.495 3.650 1.00 0.00 C ATOM 273 CD1 TYR A 19 3.075 -0.018 3.944 1.00 0.00 C ATOM 274 CD2 TYR A 19 5.485 0.268 3.999 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.914 1.220 4.582 1.00 0.00 C ATOM 276 CE2 TYR A 19 5.322 1.505 4.639 1.00 0.00 C ATOM 277 CZ TYR A 19 4.039 1.981 4.930 1.00 0.00 C ATOM 278 OH TYR A 19 3.879 3.197 5.559 1.00 0.00 O ATOM 0 H TYR A 19 6.489 -2.696 4.479 1.00 0.00 H new ATOM 0 HA TYR A 19 3.494 -2.836 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.509 -1.883 2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.780 -1.972 2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.208 -0.605 3.679 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.476 -0.097 3.775 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.923 1.588 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.188 2.091 4.908 1.00 0.00 H new ATOM 0 HH TYR A 19 4.758 3.594 5.731 1.00 0.00 H new ATOM 288 N CYS A 20 5.539 -5.021 3.457 1.00 0.00 N ATOM 289 CA CYS A 20 5.622 -6.366 2.823 1.00 0.00 C ATOM 290 C CYS A 20 4.767 -7.356 3.617 1.00 0.00 C ATOM 291 O CYS A 20 4.330 -7.072 4.715 1.00 0.00 O ATOM 292 CB CYS A 20 7.074 -6.846 2.823 1.00 0.00 C ATOM 293 SG CYS A 20 8.169 -5.511 2.285 1.00 0.00 S ATOM 0 H CYS A 20 6.376 -4.725 3.960 1.00 0.00 H new ATOM 0 HA CYS A 20 5.258 -6.303 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.356 -7.178 3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.181 -7.705 2.160 1.00 0.00 H new ATOM 298 N ASN A 21 4.528 -8.517 3.073 1.00 0.00 N ATOM 299 CA ASN A 21 3.704 -9.525 3.798 1.00 0.00 C ATOM 300 C ASN A 21 2.479 -8.841 4.406 1.00 0.00 C ATOM 301 O ASN A 21 2.578 -8.385 5.533 1.00 0.00 O ATOM 302 CB ASN A 21 4.540 -10.159 4.912 1.00 0.00 C ATOM 303 CG ASN A 21 3.771 -11.330 5.526 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.646 -11.594 5.153 1.00 0.00 O ATOM 305 ND2 ASN A 21 4.335 -12.048 6.458 1.00 0.00 N ATOM 306 OXT ASN A 21 1.462 -8.783 3.734 1.00 0.00 O ATOM 0 H ASN A 21 4.868 -8.812 2.157 1.00 0.00 H new ATOM 0 HA ASN A 21 3.379 -10.298 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.493 -10.506 4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.766 -9.417 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.831 -12.831 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.280 -11.826 6.771 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 15.526 1.866 -0.916 1.00 0.00 N ATOM 315 CA PHE B 1 16.986 1.672 -0.689 1.00 0.00 C ATOM 316 C PHE B 1 17.529 2.831 0.152 1.00 0.00 C ATOM 317 O PHE B 1 18.149 2.629 1.178 1.00 0.00 O ATOM 318 CB PHE B 1 17.711 1.632 -2.036 1.00 0.00 C ATOM 319 CG PHE B 1 16.867 0.879 -3.038 1.00 0.00 C ATOM 320 CD1 PHE B 1 16.693 -0.506 -2.907 1.00 0.00 C ATOM 321 CD2 PHE B 1 16.259 1.564 -4.097 1.00 0.00 C ATOM 322 CE1 PHE B 1 15.909 -1.204 -3.836 1.00 0.00 C ATOM 323 CE2 PHE B 1 15.476 0.866 -5.027 1.00 0.00 C ATOM 324 CZ PHE B 1 15.301 -0.518 -4.895 1.00 0.00 C ATOM 0 H1 PHE B 1 15.002 1.068 -0.504 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.219 2.752 -0.465 1.00 0.00 H new ATOM 0 H3 PHE B 1 15.337 1.914 -1.938 1.00 0.00 H new ATOM 0 HA PHE B 1 17.151 0.733 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE B 1 17.899 2.645 -2.391 1.00 0.00 H new ATOM 0 HB3 PHE B 1 18.681 1.148 -1.925 1.00 0.00 H new ATOM 0 HD1 PHE B 1 17.163 -1.035 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE B 1 16.393 2.631 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.774 -2.271 -3.735 1.00 0.00 H new ATOM 0 HE2 PHE B 1 15.008 1.394 -5.844 1.00 0.00 H new ATOM 0 HZ PHE B 1 14.697 -1.056 -5.610 1.00 0.00 H new ATOM 336 N VAL B 2 17.300 4.044 -0.273 1.00 0.00 N ATOM 337 CA VAL B 2 17.802 5.213 0.505 1.00 0.00 C ATOM 338 C VAL B 2 16.677 6.241 0.659 1.00 0.00 C ATOM 339 O VAL B 2 15.569 6.033 0.207 1.00 0.00 O ATOM 340 CB VAL B 2 18.978 5.852 -0.236 1.00 0.00 C ATOM 341 CG1 VAL B 2 20.160 4.883 -0.247 1.00 0.00 C ATOM 342 CG2 VAL B 2 18.563 6.166 -1.674 1.00 0.00 C ATOM 0 H VAL B 2 16.788 4.276 -1.124 1.00 0.00 H new ATOM 0 HA VAL B 2 18.131 4.881 1.490 1.00 0.00 H new ATOM 0 HB VAL B 2 19.268 6.774 0.268 1.00 0.00 H new ATOM 0 HG11 VAL B 2 20.998 5.338 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL B 2 20.456 4.658 0.778 1.00 0.00 H new ATOM 0 HG13 VAL B 2 19.870 3.961 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL B 2 19.400 6.621 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL B 2 18.273 5.244 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL B 2 17.720 6.856 -1.667 1.00 0.00 H new ATOM 352 N ASN B 3 16.951 7.350 1.293 1.00 0.00 N ATOM 353 CA ASN B 3 15.892 8.383 1.471 1.00 0.00 C ATOM 354 C ASN B 3 15.447 8.886 0.101 1.00 0.00 C ATOM 355 O ASN B 3 16.145 9.628 -0.560 1.00 0.00 O ATOM 356 CB ASN B 3 16.434 9.556 2.295 1.00 0.00 C ATOM 357 CG ASN B 3 17.234 9.029 3.491 1.00 0.00 C ATOM 358 OD1 ASN B 3 17.914 8.028 3.393 1.00 0.00 O ATOM 359 ND2 ASN B 3 17.182 9.671 4.626 1.00 0.00 N ATOM 0 H ASN B 3 17.859 7.584 1.694 1.00 0.00 H new ATOM 0 HA ASN B 3 15.045 7.943 1.997 1.00 0.00 H new ATOM 0 HB2 ASN B 3 17.068 10.187 1.672 1.00 0.00 H new ATOM 0 HB3 ASN B 3 15.610 10.178 2.644 1.00 0.00 H new ATOM 0 HD21 ASN B 3 17.712 9.332 5.429 1.00 0.00 H new ATOM 0 HD22 ASN B 3 16.611 10.512 4.710 1.00 0.00 H new ATOM 366 N GLN B 4 14.292 8.471 -0.334 1.00 0.00 N ATOM 367 CA GLN B 4 13.796 8.902 -1.662 1.00 0.00 C ATOM 368 C GLN B 4 12.265 8.904 -1.660 1.00 0.00 C ATOM 369 O GLN B 4 11.634 8.396 -0.752 1.00 0.00 O ATOM 370 CB GLN B 4 14.311 7.909 -2.696 1.00 0.00 C ATOM 371 CG GLN B 4 13.529 8.056 -4.004 1.00 0.00 C ATOM 372 CD GLN B 4 14.122 7.122 -5.060 1.00 0.00 C ATOM 373 OE1 GLN B 4 14.742 6.131 -4.733 1.00 0.00 O ATOM 374 NE2 GLN B 4 13.956 7.400 -6.325 1.00 0.00 N ATOM 0 H GLN B 4 13.668 7.848 0.179 1.00 0.00 H new ATOM 0 HA GLN B 4 14.145 9.908 -1.896 1.00 0.00 H new ATOM 0 HB2 GLN B 4 15.372 8.079 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN B 4 14.211 6.892 -2.316 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.478 7.817 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.571 9.088 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.435 8.233 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.347 6.784 -7.038 1.00 0.00 H new ATOM 383 N HIS B 5 11.662 9.469 -2.671 1.00 0.00 N ATOM 384 CA HIS B 5 10.176 9.500 -2.733 1.00 0.00 C ATOM 385 C HIS B 5 9.684 8.412 -3.689 1.00 0.00 C ATOM 386 O HIS B 5 10.022 8.400 -4.857 1.00 0.00 O ATOM 387 CB HIS B 5 9.717 10.868 -3.239 1.00 0.00 C ATOM 388 CG HIS B 5 10.509 11.950 -2.560 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.874 12.052 -2.721 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.119 12.966 -1.730 1.00 0.00 C ATOM 391 CE1 HIS B 5 12.271 13.108 -1.997 1.00 0.00 C ATOM 392 NE2 HIS B 5 11.230 13.698 -1.373 1.00 0.00 N ATOM 0 H HIS B 5 12.137 9.911 -3.458 1.00 0.00 H new ATOM 0 HA HIS B 5 9.766 9.323 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS B 5 9.849 10.930 -4.319 1.00 0.00 H new ATOM 0 HB3 HIS B 5 8.654 11.002 -3.040 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.107 13.162 -1.408 1.00 0.00 H new ATOM 0 HE1 HIS B 5 13.295 13.444 -1.922 1.00 0.00 H new ATOM 0 HE2 HIS B 5 11.260 14.516 -0.764 1.00 0.00 H new ATOM 400 N LEU B 6 8.887 7.499 -3.207 1.00 0.00 N ATOM 401 CA LEU B 6 8.371 6.412 -4.090 1.00 0.00 C ATOM 402 C LEU B 6 6.872 6.623 -4.320 1.00 0.00 C ATOM 403 O LEU B 6 6.319 7.634 -3.943 1.00 0.00 O ATOM 404 CB LEU B 6 8.602 5.055 -3.422 1.00 0.00 C ATOM 405 CG LEU B 6 9.957 4.489 -3.858 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.031 5.572 -3.741 1.00 0.00 C ATOM 407 CD2 LEU B 6 10.326 3.308 -2.957 1.00 0.00 C ATOM 0 H LEU B 6 8.570 7.458 -2.239 1.00 0.00 H new ATOM 0 HA LEU B 6 8.896 6.435 -5.045 1.00 0.00 H new ATOM 0 HB2 LEU B 6 8.574 5.163 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.804 4.364 -3.694 1.00 0.00 H new ATOM 0 HG LEU B 6 9.893 4.155 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU B 6 11.993 5.165 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU B 6 10.769 6.415 -4.381 1.00 0.00 H new ATOM 0 HD13 LEU B 6 11.097 5.909 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU B 6 11.290 2.903 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.388 3.645 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU B 6 9.563 2.534 -3.041 1.00 0.00 H new ATOM 419 N CYS B 7 6.208 5.681 -4.933 1.00 0.00 N ATOM 420 CA CYS B 7 4.747 5.848 -5.176 1.00 0.00 C ATOM 421 C CYS B 7 4.140 4.520 -5.621 1.00 0.00 C ATOM 422 O CYS B 7 4.846 3.612 -6.001 1.00 0.00 O ATOM 423 CB CYS B 7 4.517 6.892 -6.270 1.00 0.00 C ATOM 424 SG CYS B 7 2.940 7.733 -5.977 1.00 0.00 S ATOM 0 H CYS B 7 6.611 4.808 -5.274 1.00 0.00 H new ATOM 0 HA CYS B 7 4.273 6.176 -4.251 1.00 0.00 H new ATOM 0 HB2 CYS B 7 5.332 7.616 -6.275 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.510 6.413 -7.249 1.00 0.00 H new ATOM 429 N GLY B 8 2.832 4.429 -5.569 1.00 0.00 N ATOM 430 CA GLY B 8 2.092 3.188 -5.975 1.00 0.00 C ATOM 431 C GLY B 8 3.014 2.147 -6.614 1.00 0.00 C ATOM 432 O GLY B 8 3.449 1.215 -5.969 1.00 0.00 O ATOM 0 H GLY B 8 2.227 5.187 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.608 2.754 -5.100 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.302 3.452 -6.679 1.00 0.00 H new ATOM 436 N SER B 9 3.308 2.292 -7.876 1.00 0.00 N ATOM 437 CA SER B 9 4.189 1.298 -8.555 1.00 0.00 C ATOM 438 C SER B 9 5.570 1.293 -7.902 1.00 0.00 C ATOM 439 O SER B 9 6.005 0.293 -7.370 1.00 0.00 O ATOM 440 CB SER B 9 4.326 1.666 -10.033 1.00 0.00 C ATOM 441 OG SER B 9 4.023 0.528 -10.830 1.00 0.00 O ATOM 0 H SER B 9 2.977 3.055 -8.467 1.00 0.00 H new ATOM 0 HA SER B 9 3.747 0.306 -8.463 1.00 0.00 H new ATOM 0 HB2 SER B 9 3.652 2.487 -10.279 1.00 0.00 H new ATOM 0 HB3 SER B 9 5.339 2.011 -10.241 1.00 0.00 H new ATOM 0 HG SER B 9 4.108 0.761 -11.778 1.00 0.00 H new ATOM 447 N ASP B 10 6.264 2.398 -7.930 1.00 0.00 N ATOM 448 CA ASP B 10 7.614 2.434 -7.299 1.00 0.00 C ATOM 449 C ASP B 10 7.515 1.781 -5.925 1.00 0.00 C ATOM 450 O ASP B 10 8.435 1.142 -5.455 1.00 0.00 O ATOM 451 CB ASP B 10 8.073 3.886 -7.150 1.00 0.00 C ATOM 452 CG ASP B 10 8.940 4.275 -8.349 1.00 0.00 C ATOM 453 OD1 ASP B 10 9.606 3.401 -8.880 1.00 0.00 O ATOM 454 OD2 ASP B 10 8.922 5.438 -8.715 1.00 0.00 O ATOM 0 H ASP B 10 5.958 3.271 -8.359 1.00 0.00 H new ATOM 0 HA ASP B 10 8.335 1.900 -7.918 1.00 0.00 H new ATOM 0 HB2 ASP B 10 7.208 4.546 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP B 10 8.638 4.007 -6.226 1.00 0.00 H new ATOM 459 N LEU B 11 6.386 1.917 -5.289 1.00 0.00 N ATOM 460 CA LEU B 11 6.197 1.289 -3.959 1.00 0.00 C ATOM 461 C LEU B 11 6.100 -0.219 -4.160 1.00 0.00 C ATOM 462 O LEU B 11 6.806 -0.986 -3.535 1.00 0.00 O ATOM 463 CB LEU B 11 4.914 1.822 -3.324 1.00 0.00 C ATOM 464 CG LEU B 11 5.202 3.174 -2.671 1.00 0.00 C ATOM 465 CD1 LEU B 11 3.887 3.832 -2.248 1.00 0.00 C ATOM 466 CD2 LEU B 11 6.089 2.961 -1.444 1.00 0.00 C ATOM 0 H LEU B 11 5.583 2.440 -5.638 1.00 0.00 H new ATOM 0 HA LEU B 11 7.032 1.522 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.136 1.928 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.542 1.117 -2.581 1.00 0.00 H new ATOM 0 HG LEU B 11 5.713 3.822 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.095 4.795 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.256 3.981 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.371 3.189 -1.535 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.297 3.922 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.577 2.313 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU B 11 7.026 2.495 -1.749 1.00 0.00 H new ATOM 478 N VAL B 12 5.256 -0.652 -5.059 1.00 0.00 N ATOM 479 CA VAL B 12 5.151 -2.108 -5.330 1.00 0.00 C ATOM 480 C VAL B 12 6.470 -2.548 -5.975 1.00 0.00 C ATOM 481 O VAL B 12 6.807 -3.714 -6.012 1.00 0.00 O ATOM 482 CB VAL B 12 3.957 -2.391 -6.273 1.00 0.00 C ATOM 483 CG1 VAL B 12 2.918 -1.276 -6.163 1.00 0.00 C ATOM 484 CG2 VAL B 12 4.419 -2.497 -7.731 1.00 0.00 C ATOM 0 H VAL B 12 4.638 -0.059 -5.614 1.00 0.00 H new ATOM 0 HA VAL B 12 4.977 -2.663 -4.408 1.00 0.00 H new ATOM 0 HB VAL B 12 3.515 -3.340 -5.970 1.00 0.00 H new ATOM 0 HG11 VAL B 12 2.084 -1.489 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.555 -1.217 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.373 -0.326 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.560 -2.696 -8.371 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.887 -1.560 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL B 12 5.139 -3.310 -7.826 1.00 0.00 H new ATOM 494 N GLU B 13 7.214 -1.598 -6.478 1.00 0.00 N ATOM 495 CA GLU B 13 8.515 -1.908 -7.122 1.00 0.00 C ATOM 496 C GLU B 13 9.584 -1.962 -6.034 1.00 0.00 C ATOM 497 O GLU B 13 10.279 -2.947 -5.880 1.00 0.00 O ATOM 498 CB GLU B 13 8.831 -0.802 -8.126 1.00 0.00 C ATOM 499 CG GLU B 13 8.605 -1.325 -9.544 1.00 0.00 C ATOM 500 CD GLU B 13 9.082 -0.281 -10.555 1.00 0.00 C ATOM 501 OE1 GLU B 13 9.428 0.809 -10.133 1.00 0.00 O ATOM 502 OE2 GLU B 13 9.092 -0.591 -11.736 1.00 0.00 O ATOM 0 H GLU B 13 6.968 -0.608 -6.467 1.00 0.00 H new ATOM 0 HA GLU B 13 8.482 -2.865 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU B 13 8.197 0.065 -7.941 1.00 0.00 H new ATOM 0 HB3 GLU B 13 9.863 -0.473 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.146 -2.260 -9.689 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.548 -1.541 -9.699 1.00 0.00 H new ATOM 509 N ALA B 14 9.699 -0.926 -5.249 1.00 0.00 N ATOM 510 CA ALA B 14 10.694 -0.961 -4.149 1.00 0.00 C ATOM 511 C ALA B 14 10.306 -2.125 -3.244 1.00 0.00 C ATOM 512 O ALA B 14 11.100 -2.993 -2.947 1.00 0.00 O ATOM 513 CB ALA B 14 10.648 0.351 -3.360 1.00 0.00 C ATOM 0 H ALA B 14 9.153 -0.068 -5.322 1.00 0.00 H new ATOM 0 HA ALA B 14 11.705 -1.085 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.381 0.317 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.878 1.184 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.652 0.487 -2.938 1.00 0.00 H new ATOM 519 N LEU B 15 9.060 -2.165 -2.847 1.00 0.00 N ATOM 520 CA LEU B 15 8.570 -3.279 -2.005 1.00 0.00 C ATOM 521 C LEU B 15 8.915 -4.590 -2.709 1.00 0.00 C ATOM 522 O LEU B 15 9.411 -5.529 -2.118 1.00 0.00 O ATOM 523 CB LEU B 15 7.051 -3.154 -1.890 1.00 0.00 C ATOM 524 CG LEU B 15 6.691 -1.996 -0.960 1.00 0.00 C ATOM 525 CD1 LEU B 15 5.308 -1.457 -1.332 1.00 0.00 C ATOM 526 CD2 LEU B 15 6.669 -2.487 0.487 1.00 0.00 C ATOM 0 H LEU B 15 8.359 -1.461 -3.077 1.00 0.00 H new ATOM 0 HA LEU B 15 9.023 -3.254 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU B 15 6.616 -2.989 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU B 15 6.629 -4.083 -1.507 1.00 0.00 H new ATOM 0 HG LEU B 15 7.434 -1.205 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU B 15 5.049 -0.631 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU B 15 5.320 -1.105 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.568 -2.251 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU B 15 6.412 -1.659 1.148 1.00 0.00 H new ATOM 0 HD22 LEU B 15 5.927 -3.279 0.591 1.00 0.00 H new ATOM 0 HD23 LEU B 15 7.652 -2.874 0.755 1.00 0.00 H new ATOM 538 N TYR B 16 8.653 -4.638 -3.984 1.00 0.00 N ATOM 539 CA TYR B 16 8.947 -5.855 -4.788 1.00 0.00 C ATOM 540 C TYR B 16 10.279 -6.472 -4.359 1.00 0.00 C ATOM 541 O TYR B 16 10.366 -7.648 -4.068 1.00 0.00 O ATOM 542 CB TYR B 16 9.053 -5.448 -6.255 1.00 0.00 C ATOM 543 CG TYR B 16 8.033 -6.200 -7.070 1.00 0.00 C ATOM 544 CD1 TYR B 16 7.788 -7.552 -6.805 1.00 0.00 C ATOM 545 CD2 TYR B 16 7.335 -5.546 -8.093 1.00 0.00 C ATOM 546 CE1 TYR B 16 6.841 -8.254 -7.564 1.00 0.00 C ATOM 547 CE2 TYR B 16 6.389 -6.246 -8.852 1.00 0.00 C ATOM 548 CZ TYR B 16 6.141 -7.600 -8.588 1.00 0.00 C ATOM 549 OH TYR B 16 5.209 -8.291 -9.335 1.00 0.00 O ATOM 0 H TYR B 16 8.239 -3.870 -4.513 1.00 0.00 H new ATOM 0 HA TYR B 16 8.151 -6.585 -4.638 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.893 -4.375 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR B 16 10.056 -5.657 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR B 16 8.328 -8.054 -6.016 1.00 0.00 H new ATOM 0 HD2 TYR B 16 7.526 -4.503 -8.296 1.00 0.00 H new ATOM 0 HE1 TYR B 16 6.651 -9.297 -7.360 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.850 -5.742 -9.641 1.00 0.00 H new ATOM 0 HH TYR B 16 4.814 -7.691 -10.002 1.00 0.00 H new ATOM 559 N LEU B 17 11.321 -5.692 -4.347 1.00 0.00 N ATOM 560 CA LEU B 17 12.657 -6.232 -3.972 1.00 0.00 C ATOM 561 C LEU B 17 12.766 -6.380 -2.452 1.00 0.00 C ATOM 562 O LEU B 17 13.027 -7.452 -1.944 1.00 0.00 O ATOM 563 CB LEU B 17 13.736 -5.273 -4.475 1.00 0.00 C ATOM 564 CG LEU B 17 14.972 -6.061 -4.912 1.00 0.00 C ATOM 565 CD1 LEU B 17 14.568 -7.132 -5.927 1.00 0.00 C ATOM 566 CD2 LEU B 17 15.975 -5.106 -5.560 1.00 0.00 C ATOM 0 H LEU B 17 11.306 -4.699 -4.582 1.00 0.00 H new ATOM 0 HA LEU B 17 12.789 -7.215 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU B 17 13.353 -4.688 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU B 17 14.003 -4.568 -3.688 1.00 0.00 H new ATOM 0 HG LEU B 17 15.424 -6.538 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU B 17 15.451 -7.692 -6.236 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.848 -7.812 -5.471 1.00 0.00 H new ATOM 0 HD13 LEU B 17 14.116 -6.656 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU B 17 16.858 -5.663 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU B 17 15.518 -4.633 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU B 17 16.265 -4.340 -4.841 1.00 0.00 H new ATOM 578 N VAL B 18 12.580 -5.317 -1.719 1.00 0.00 N ATOM 579 CA VAL B 18 12.690 -5.417 -0.232 1.00 0.00 C ATOM 580 C VAL B 18 11.758 -6.516 0.279 1.00 0.00 C ATOM 581 O VAL B 18 12.060 -7.208 1.231 1.00 0.00 O ATOM 582 CB VAL B 18 12.306 -4.087 0.417 1.00 0.00 C ATOM 583 CG1 VAL B 18 13.544 -3.194 0.525 1.00 0.00 C ATOM 584 CG2 VAL B 18 11.249 -3.383 -0.430 1.00 0.00 C ATOM 0 H VAL B 18 12.358 -4.389 -2.080 1.00 0.00 H new ATOM 0 HA VAL B 18 13.721 -5.657 0.029 1.00 0.00 H new ATOM 0 HB VAL B 18 11.903 -4.278 1.412 1.00 0.00 H new ATOM 0 HG11 VAL B 18 13.270 -2.246 0.988 1.00 0.00 H new ATOM 0 HG12 VAL B 18 14.299 -3.691 1.135 1.00 0.00 H new ATOM 0 HG13 VAL B 18 13.947 -3.009 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL B 18 10.980 -2.436 0.038 1.00 0.00 H new ATOM 0 HG22 VAL B 18 11.648 -3.195 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL B 18 10.364 -4.015 -0.506 1.00 0.00 H new ATOM 594 N CYS B 19 10.635 -6.691 -0.354 1.00 0.00 N ATOM 595 CA CYS B 19 9.687 -7.752 0.081 1.00 0.00 C ATOM 596 C CYS B 19 9.971 -9.008 -0.736 1.00 0.00 C ATOM 597 O CYS B 19 10.228 -10.071 -0.208 1.00 0.00 O ATOM 598 CB CYS B 19 8.253 -7.295 -0.180 1.00 0.00 C ATOM 599 SG CYS B 19 8.077 -5.548 0.267 1.00 0.00 S ATOM 0 H CYS B 19 10.331 -6.142 -1.158 1.00 0.00 H new ATOM 0 HA CYS B 19 9.810 -7.953 1.145 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.001 -7.439 -1.231 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.557 -7.901 0.400 1.00 0.00 H new ATOM 604 N GLY B 20 9.939 -8.877 -2.032 1.00 0.00 N ATOM 605 CA GLY B 20 10.219 -10.038 -2.914 1.00 0.00 C ATOM 606 C GLY B 20 9.256 -11.184 -2.595 1.00 0.00 C ATOM 607 O GLY B 20 8.053 -11.015 -2.587 1.00 0.00 O ATOM 0 H GLY B 20 9.729 -8.006 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY B 20 10.115 -9.745 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY B 20 11.249 -10.369 -2.777 1.00 0.00 H new ATOM 611 N GLU B 21 9.778 -12.353 -2.335 1.00 0.00 N ATOM 612 CA GLU B 21 8.898 -13.515 -2.022 1.00 0.00 C ATOM 613 C GLU B 21 8.050 -13.204 -0.787 1.00 0.00 C ATOM 614 O GLU B 21 7.087 -13.887 -0.497 1.00 0.00 O ATOM 615 CB GLU B 21 9.761 -14.749 -1.748 1.00 0.00 C ATOM 616 CG GLU B 21 10.827 -14.878 -2.839 1.00 0.00 C ATOM 617 CD GLU B 21 11.090 -16.359 -3.121 1.00 0.00 C ATOM 618 OE1 GLU B 21 11.907 -16.939 -2.424 1.00 0.00 O ATOM 619 OE2 GLU B 21 10.470 -16.888 -4.030 1.00 0.00 O ATOM 0 H GLU B 21 10.778 -12.553 -2.326 1.00 0.00 H new ATOM 0 HA GLU B 21 8.242 -13.708 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU B 21 10.235 -14.665 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU B 21 9.139 -15.644 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU B 21 10.495 -14.377 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU B 21 11.748 -14.388 -2.523 1.00 0.00 H new ATOM 626 N ARG B 22 8.396 -12.180 -0.058 1.00 0.00 N ATOM 627 CA ARG B 22 7.606 -11.831 1.156 1.00 0.00 C ATOM 628 C ARG B 22 6.160 -11.529 0.756 1.00 0.00 C ATOM 629 O ARG B 22 5.276 -11.468 1.588 1.00 0.00 O ATOM 630 CB ARG B 22 8.216 -10.599 1.827 1.00 0.00 C ATOM 631 CG ARG B 22 9.384 -11.029 2.716 1.00 0.00 C ATOM 632 CD ARG B 22 8.889 -12.037 3.755 1.00 0.00 C ATOM 633 NE ARG B 22 9.735 -11.948 4.977 1.00 0.00 N ATOM 634 CZ ARG B 22 9.873 -12.987 5.754 1.00 0.00 C ATOM 635 NH1 ARG B 22 10.152 -14.153 5.239 1.00 0.00 N ATOM 636 NH2 ARG B 22 9.729 -12.861 7.045 1.00 0.00 N ATOM 0 H ARG B 22 9.191 -11.570 -0.250 1.00 0.00 H new ATOM 0 HA ARG B 22 7.623 -12.670 1.852 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.561 -9.893 1.071 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.462 -10.085 2.423 1.00 0.00 H new ATOM 0 HG2 ARG B 22 10.173 -11.474 2.109 1.00 0.00 H new ATOM 0 HG3 ARG B 22 9.816 -10.160 3.213 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.848 -11.835 4.006 1.00 0.00 H new ATOM 0 HD3 ARG B 22 8.928 -13.046 3.345 1.00 0.00 H new ATOM 0 HE ARG B 22 10.207 -11.074 5.207 1.00 0.00 H new ATOM 0 HH11 ARG B 22 10.262 -14.252 4.230 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.260 -14.966 5.846 1.00 0.00 H new ATOM 0 HH21 ARG B 22 9.508 -11.950 7.447 1.00 0.00 H new ATOM 0 HH22 ARG B 22 9.837 -13.674 7.652 1.00 0.00 H new ATOM 650 N GLY B 23 5.910 -11.337 -0.511 1.00 0.00 N ATOM 651 CA GLY B 23 4.520 -11.038 -0.957 1.00 0.00 C ATOM 652 C GLY B 23 4.089 -9.684 -0.395 1.00 0.00 C ATOM 653 O GLY B 23 3.346 -9.607 0.564 1.00 0.00 O ATOM 0 H GLY B 23 6.607 -11.374 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY B 23 4.470 -11.025 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY B 23 3.841 -11.819 -0.616 1.00 0.00 H new ATOM 657 N PHE B 24 4.551 -8.614 -0.980 1.00 0.00 N ATOM 658 CA PHE B 24 4.171 -7.265 -0.476 1.00 0.00 C ATOM 659 C PHE B 24 2.745 -6.935 -0.921 1.00 0.00 C ATOM 660 O PHE B 24 2.292 -7.371 -1.961 1.00 0.00 O ATOM 661 CB PHE B 24 5.148 -6.222 -1.026 1.00 0.00 C ATOM 662 CG PHE B 24 4.854 -5.956 -2.483 1.00 0.00 C ATOM 663 CD1 PHE B 24 3.838 -5.062 -2.839 1.00 0.00 C ATOM 664 CD2 PHE B 24 5.598 -6.605 -3.479 1.00 0.00 C ATOM 665 CE1 PHE B 24 3.563 -4.814 -4.190 1.00 0.00 C ATOM 666 CE2 PHE B 24 5.325 -6.356 -4.830 1.00 0.00 C ATOM 667 CZ PHE B 24 4.307 -5.461 -5.185 1.00 0.00 C ATOM 0 H PHE B 24 5.176 -8.616 -1.786 1.00 0.00 H new ATOM 0 HA PHE B 24 4.214 -7.255 0.613 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.065 -5.297 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE B 24 6.173 -6.576 -0.912 1.00 0.00 H new ATOM 0 HD1 PHE B 24 3.265 -4.563 -2.071 1.00 0.00 H new ATOM 0 HD2 PHE B 24 6.381 -7.296 -3.204 1.00 0.00 H new ATOM 0 HE1 PHE B 24 2.778 -4.125 -4.464 1.00 0.00 H new ATOM 0 HE2 PHE B 24 5.899 -6.854 -5.598 1.00 0.00 H new ATOM 0 HZ PHE B 24 4.096 -5.270 -6.227 1.00 0.00 H new ATOM 677 N PHE B 25 2.032 -6.173 -0.137 1.00 0.00 N ATOM 678 CA PHE B 25 0.634 -5.821 -0.514 1.00 0.00 C ATOM 679 C PHE B 25 0.487 -4.301 -0.586 1.00 0.00 C ATOM 680 O PHE B 25 0.027 -3.667 0.343 1.00 0.00 O ATOM 681 CB PHE B 25 -0.333 -6.380 0.534 1.00 0.00 C ATOM 682 CG PHE B 25 0.065 -5.886 1.905 1.00 0.00 C ATOM 683 CD1 PHE B 25 1.159 -6.460 2.566 1.00 0.00 C ATOM 684 CD2 PHE B 25 -0.660 -4.855 2.516 1.00 0.00 C ATOM 685 CE1 PHE B 25 1.527 -6.002 3.839 1.00 0.00 C ATOM 686 CE2 PHE B 25 -0.292 -4.397 3.788 1.00 0.00 C ATOM 687 CZ PHE B 25 0.803 -4.970 4.449 1.00 0.00 C ATOM 0 H PHE B 25 2.356 -5.780 0.746 1.00 0.00 H new ATOM 0 HA PHE B 25 0.403 -6.251 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -1.352 -6.068 0.306 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -0.320 -7.470 0.511 1.00 0.00 H new ATOM 0 HD1 PHE B 25 1.718 -7.255 2.095 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -1.503 -4.413 2.006 1.00 0.00 H new ATOM 0 HE1 PHE B 25 2.369 -6.445 4.349 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -0.852 -3.603 4.259 1.00 0.00 H new ATOM 0 HZ PHE B 25 1.088 -4.616 5.429 1.00 0.00 H new ATOM 697 N TYR B 26 0.872 -3.709 -1.683 1.00 0.00 N ATOM 698 CA TYR B 26 0.750 -2.230 -1.812 1.00 0.00 C ATOM 699 C TYR B 26 -0.707 -1.824 -1.568 1.00 0.00 C ATOM 700 O TYR B 26 -1.607 -2.255 -2.260 1.00 0.00 O ATOM 701 CB TYR B 26 1.187 -1.803 -3.220 1.00 0.00 C ATOM 702 CG TYR B 26 0.627 -0.437 -3.548 1.00 0.00 C ATOM 703 CD1 TYR B 26 0.877 0.646 -2.694 1.00 0.00 C ATOM 704 CD2 TYR B 26 -0.141 -0.254 -4.705 1.00 0.00 C ATOM 705 CE1 TYR B 26 0.358 1.912 -2.996 1.00 0.00 C ATOM 706 CE2 TYR B 26 -0.661 1.013 -5.007 1.00 0.00 C ATOM 707 CZ TYR B 26 -0.411 2.095 -4.154 1.00 0.00 C ATOM 708 OH TYR B 26 -0.922 3.342 -4.451 1.00 0.00 O ATOM 0 H TYR B 26 1.265 -4.185 -2.495 1.00 0.00 H new ATOM 0 HA TYR B 26 1.389 -1.739 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.275 -1.782 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.841 -2.532 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR B 26 1.470 0.505 -1.803 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.333 -1.088 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR B 26 0.550 2.746 -2.337 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.255 1.154 -5.898 1.00 0.00 H new ATOM 0 HH TYR B 26 -1.430 3.297 -5.288 1.00 0.00 H new ATOM 718 N THR B 27 -0.942 -0.995 -0.588 1.00 0.00 N ATOM 719 CA THR B 27 -2.336 -0.558 -0.298 1.00 0.00 C ATOM 720 C THR B 27 -2.660 0.682 -1.133 1.00 0.00 C ATOM 721 O THR B 27 -1.941 1.031 -2.046 1.00 0.00 O ATOM 722 CB THR B 27 -2.465 -0.224 1.190 1.00 0.00 C ATOM 723 OG1 THR B 27 -2.042 1.115 1.410 1.00 0.00 O ATOM 724 CG2 THR B 27 -1.592 -1.178 2.006 1.00 0.00 C ATOM 0 H THR B 27 -0.228 -0.601 0.025 1.00 0.00 H new ATOM 0 HA THR B 27 -3.032 -1.358 -0.550 1.00 0.00 H new ATOM 0 HB THR B 27 -3.504 -0.333 1.500 1.00 0.00 H new ATOM 0 HG1 THR B 27 -2.125 1.332 2.362 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.684 -0.939 3.066 1.00 0.00 H new ATOM 0 HG22 THR B 27 -1.917 -2.204 1.835 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.551 -1.071 1.699 1.00 0.00 H new ATOM 732 N LYS B 28 -3.739 1.352 -0.829 1.00 0.00 N ATOM 733 CA LYS B 28 -4.101 2.568 -1.610 1.00 0.00 C ATOM 734 C LYS B 28 -5.318 3.243 -0.967 1.00 0.00 C ATOM 735 O LYS B 28 -6.241 2.575 -0.546 1.00 0.00 O ATOM 736 CB LYS B 28 -4.440 2.163 -3.047 1.00 0.00 C ATOM 737 CG LYS B 28 -4.911 3.392 -3.827 1.00 0.00 C ATOM 738 CD LYS B 28 -5.405 2.959 -5.210 1.00 0.00 C ATOM 739 CE LYS B 28 -6.914 2.716 -5.159 1.00 0.00 C ATOM 740 NZ LYS B 28 -7.388 2.268 -6.499 1.00 0.00 N ATOM 0 H LYS B 28 -4.383 1.110 -0.076 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.262 3.264 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -3.565 1.727 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.218 1.399 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.711 3.896 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -4.095 4.107 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.174 3.728 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -4.890 2.051 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.147 1.962 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.431 3.629 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.414 2.102 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.178 3.002 -7.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.903 1.386 -6.762 1.00 0.00 H new ATOM 754 N PRO B 29 -5.284 4.552 -0.910 1.00 0.00 N ATOM 755 CA PRO B 29 -6.376 5.348 -0.324 1.00 0.00 C ATOM 756 C PRO B 29 -7.540 5.466 -1.312 1.00 0.00 C ATOM 757 O PRO B 29 -7.343 5.633 -2.499 1.00 0.00 O ATOM 758 CB PRO B 29 -5.731 6.715 -0.074 1.00 0.00 C ATOM 759 CG PRO B 29 -4.516 6.804 -1.029 1.00 0.00 C ATOM 760 CD PRO B 29 -4.157 5.359 -1.422 1.00 0.00 C ATOM 0 HA PRO B 29 -6.790 4.906 0.582 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -6.439 7.520 -0.270 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -5.417 6.812 0.965 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -4.759 7.396 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -3.674 7.293 -0.539 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -4.051 5.255 -2.502 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -3.211 5.049 -0.978 1.00 0.00 H new ATOM 768 N THR B 30 -8.750 5.381 -0.832 1.00 0.00 N ATOM 769 CA THR B 30 -9.923 5.489 -1.745 1.00 0.00 C ATOM 770 C THR B 30 -10.711 6.759 -1.415 1.00 0.00 C ATOM 771 O THR B 30 -11.791 6.920 -1.960 1.00 0.00 O ATOM 772 CB THR B 30 -10.825 4.267 -1.561 1.00 0.00 C ATOM 773 OG1 THR B 30 -11.944 4.371 -2.431 1.00 0.00 O ATOM 774 CG2 THR B 30 -11.308 4.200 -0.112 1.00 0.00 C ATOM 775 OXT THR B 30 -10.221 7.548 -0.624 1.00 0.00 O ATOM 0 H THR B 30 -8.977 5.241 0.153 1.00 0.00 H new ATOM 0 HA THR B 30 -9.577 5.534 -2.778 1.00 0.00 H new ATOM 0 HB THR B 30 -10.264 3.363 -1.796 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.220 5.309 -2.498 1.00 0.00 H new ATOM 0 HG21 THR B 30 -11.950 3.329 0.017 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.449 4.120 0.554 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.869 5.103 0.127 1.00 0.00 H new TER 783 THR B 30