USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 374 hydrogens (15 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 NoAdj-H: B 26 NVA HD3 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA HD1 : B 26 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 26 NVA H2 : B 26 NVA N : B 25 PHE C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot 81:sc= 0.126 USER MOD Set 1.2: A 15 GLN : amide:sc= 1.03 K(o=1.2,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.199 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 8 THR OG1 : rot -77:sc= 1.13 USER MOD Single : A 9 SER OG : rot -87:sc= 1.23 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00477 X(o=-0.0048,f=-0.18) USER MOD Single : A 19 TYR OH : rot 130:sc= -0.125 USER MOD Single : A 21 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : B 1 PHE N :NH3+ 134:sc= 0.0356 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot -47:sc= 0.00714 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.551 2.733 -2.508 1.00 25.00 N ATOM 2 CA GLY A 1 3.458 1.279 -2.642 1.00 25.00 C ATOM 3 C GLY A 1 2.441 0.911 -3.690 1.00 25.00 C ATOM 4 O GLY A 1 1.667 1.775 -4.028 1.00 25.00 O ATOM 0 H1 GLY A 1 4.418 3.070 -2.974 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.723 3.176 -2.955 1.00 25.00 H new ATOM 0 H3 GLY A 1 3.578 2.988 -1.500 1.00 25.00 H new ATOM 0 HA2 GLY A 1 4.432 0.870 -2.912 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.180 0.837 -1.685 1.00 25.00 H new ATOM 10 N ILE A 2 2.455 -0.318 -4.202 1.00 25.00 N ATOM 11 CA ILE A 2 1.543 -0.701 -5.282 1.00 25.00 C ATOM 12 C ILE A 2 1.164 -2.189 -5.223 1.00 25.00 C ATOM 13 O ILE A 2 0.076 -2.570 -5.666 1.00 25.00 O ATOM 14 CB ILE A 2 2.161 -0.308 -6.670 1.00 25.00 C ATOM 15 CG1 ILE A 2 1.156 -0.533 -7.803 1.00 25.00 C ATOM 16 CG2 ILE A 2 3.490 -1.044 -6.911 1.00 25.00 C ATOM 17 CD1 ILE A 2 1.540 0.113 -9.133 1.00 25.00 C ATOM 0 H ILE A 2 3.081 -1.061 -3.891 1.00 25.00 H new ATOM 0 HA ILE A 2 0.612 -0.149 -5.151 1.00 25.00 H new ATOM 0 HB ILE A 2 2.388 0.758 -6.655 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.036 -1.605 -7.957 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.186 -0.145 -7.493 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.896 -0.753 -7.880 1.00 25.00 H new ATOM 0 HG22 ILE A 2 4.199 -0.781 -6.126 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.317 -2.120 -6.898 1.00 25.00 H new ATOM 0 HD11 ILE A 2 0.771 -0.099 -9.876 1.00 25.00 H new ATOM 0 HD12 ILE A 2 1.630 1.191 -9.001 1.00 25.00 H new ATOM 0 HD13 ILE A 2 2.493 -0.292 -9.472 1.00 25.00 H new ATOM 29 N VAL A 3 2.030 -3.017 -4.653 1.00 25.00 N ATOM 30 CA VAL A 3 1.834 -4.462 -4.661 1.00 25.00 C ATOM 31 C VAL A 3 0.529 -4.913 -4.023 1.00 25.00 C ATOM 32 O VAL A 3 -0.217 -5.701 -4.604 1.00 25.00 O ATOM 33 CB VAL A 3 3.015 -5.173 -3.930 1.00 25.00 C ATOM 34 CG1 VAL A 3 2.785 -6.698 -3.853 1.00 25.00 C ATOM 35 CG2 VAL A 3 4.300 -4.877 -4.696 1.00 25.00 C ATOM 0 H VAL A 3 2.879 -2.711 -4.177 1.00 25.00 H new ATOM 0 HA VAL A 3 1.795 -4.743 -5.713 1.00 25.00 H new ATOM 0 HB VAL A 3 3.085 -4.798 -2.909 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.624 -7.167 -3.339 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.865 -6.900 -3.305 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.704 -7.105 -4.861 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.139 -5.365 -4.201 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.211 -5.253 -5.715 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.469 -3.801 -4.720 1.00 25.00 H new ATOM 45 N GLU A 4 0.202 -4.404 -2.847 1.00 25.00 N ATOM 46 CA GLU A 4 -1.028 -4.841 -2.186 1.00 25.00 C ATOM 47 C GLU A 4 -2.274 -4.504 -3.023 1.00 25.00 C ATOM 48 O GLU A 4 -3.169 -5.328 -3.206 1.00 25.00 O ATOM 49 CB GLU A 4 -1.156 -4.194 -0.801 1.00 25.00 C ATOM 50 CG GLU A 4 -0.084 -4.640 0.193 1.00 25.00 C ATOM 51 CD GLU A 4 -0.264 -4.003 1.563 1.00 25.00 C ATOM 52 OE1 GLU A 4 -1.169 -3.150 1.709 1.00 25.00 O ATOM 53 OE2 GLU A 4 0.529 -4.303 2.484 1.00 25.00 O ATOM 0 H GLU A 4 0.748 -3.709 -2.338 1.00 25.00 H new ATOM 0 HA GLU A 4 -0.967 -5.924 -2.079 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.107 -3.111 -0.911 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.138 -4.429 -0.391 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -0.114 -5.725 0.293 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.900 -4.383 -0.198 1.00 25.00 H new ATOM 60 N GLN A 5 -2.318 -3.279 -3.517 1.00 25.00 N ATOM 61 CA GLN A 5 -3.434 -2.792 -4.328 1.00 25.00 C ATOM 62 C GLN A 5 -3.582 -3.585 -5.618 1.00 25.00 C ATOM 63 O GLN A 5 -4.701 -3.924 -5.997 1.00 25.00 O ATOM 64 CB GLN A 5 -3.237 -1.290 -4.626 1.00 25.00 C ATOM 65 CG GLN A 5 -4.444 -0.568 -5.224 1.00 25.00 C ATOM 66 CD GLN A 5 -4.157 0.889 -5.404 1.00 25.00 C ATOM 67 OE1 GLN A 5 -3.051 1.277 -5.752 1.00 25.00 O ATOM 68 NE2 GLN A 5 -5.122 1.711 -5.090 1.00 25.00 N ATOM 0 H GLN A 5 -1.582 -2.588 -3.370 1.00 25.00 H new ATOM 0 HA GLN A 5 -4.356 -2.930 -3.763 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.959 -0.788 -3.699 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -2.396 -1.182 -5.311 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -4.701 -1.014 -6.185 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -5.309 -0.695 -4.573 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -6.031 1.346 -4.805 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -4.967 2.718 -5.130 1.00 25.00 H new ATOM 77 N CYS A 6 -2.483 -3.885 -6.298 1.00 25.00 N ATOM 78 CA CYS A 6 -2.522 -4.680 -7.521 1.00 25.00 C ATOM 79 C CYS A 6 -2.984 -6.115 -7.245 1.00 25.00 C ATOM 80 O CYS A 6 -3.781 -6.676 -7.981 1.00 25.00 O ATOM 81 CB CYS A 6 -1.137 -4.691 -8.191 1.00 25.00 C ATOM 82 SG CYS A 6 -1.035 -5.458 -9.841 1.00 25.00 S ATOM 0 H CYS A 6 -1.547 -3.588 -6.022 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.245 -4.219 -8.194 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -0.790 -3.661 -8.272 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -0.443 -5.211 -7.530 1.00 25.00 H new ATOM 87 N CYS A 7 -2.482 -6.689 -6.159 1.00 25.00 N ATOM 88 CA CYS A 7 -2.867 -8.059 -5.799 1.00 25.00 C ATOM 89 C CYS A 7 -4.356 -8.118 -5.510 1.00 25.00 C ATOM 90 O CYS A 7 -5.100 -8.946 -6.071 1.00 25.00 O ATOM 91 CB CYS A 7 -2.110 -8.538 -4.542 1.00 25.00 C ATOM 92 SG CYS A 7 -1.011 -9.943 -4.864 1.00 25.00 S ATOM 0 H CYS A 7 -1.822 -6.244 -5.521 1.00 25.00 H new ATOM 0 HA CYS A 7 -2.614 -8.705 -6.640 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -1.524 -7.711 -4.141 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -2.832 -8.818 -3.775 1.00 25.00 H new ATOM 97 N THR A 8 -4.812 -7.239 -4.636 1.00 25.00 N ATOM 98 CA THR A 8 -6.206 -7.261 -4.194 1.00 25.00 C ATOM 99 C THR A 8 -7.206 -6.652 -5.172 1.00 25.00 C ATOM 100 O THR A 8 -8.255 -6.148 -4.752 1.00 25.00 O ATOM 101 CB THR A 8 -6.372 -6.519 -2.826 1.00 25.00 C ATOM 102 OG1 THR A 8 -5.859 -5.181 -2.939 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.588 -7.256 -1.686 1.00 25.00 C ATOM 0 H THR A 8 -4.245 -6.502 -4.216 1.00 25.00 H new ATOM 0 HA THR A 8 -6.435 -8.323 -4.111 1.00 25.00 H new ATOM 0 HB THR A 8 -7.433 -6.504 -2.578 1.00 25.00 H new ATOM 0 HG1 THR A 8 -4.880 -5.202 -2.907 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.721 -6.719 -0.747 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.969 -8.272 -1.580 1.00 25.00 H new ATOM 0 HG23 THR A 8 -4.528 -7.291 -1.937 1.00 25.00 H new ATOM 111 N SER A 9 -6.922 -6.701 -6.469 1.00 25.00 N ATOM 112 CA SER A 9 -7.874 -6.155 -7.433 1.00 25.00 C ATOM 113 C SER A 9 -7.711 -6.753 -8.839 1.00 25.00 C ATOM 114 O SER A 9 -6.778 -7.509 -9.118 1.00 25.00 O ATOM 115 CB SER A 9 -7.737 -4.644 -7.514 1.00 25.00 C ATOM 116 OG SER A 9 -6.489 -4.251 -8.039 1.00 25.00 O ATOM 0 H SER A 9 -6.072 -7.098 -6.869 1.00 25.00 H new ATOM 0 HA SER A 9 -8.866 -6.426 -7.072 1.00 25.00 H new ATOM 0 HB2 SER A 9 -8.535 -4.241 -8.138 1.00 25.00 H new ATOM 0 HB3 SER A 9 -7.862 -4.215 -6.520 1.00 25.00 H new ATOM 0 HG SER A 9 -5.832 -4.194 -7.314 1.00 25.00 H new ATOM 122 N ILE A 10 -8.565 -6.285 -9.745 1.00 25.00 N ATOM 123 CA ILE A 10 -8.393 -6.506 -11.167 1.00 25.00 C ATOM 124 C ILE A 10 -7.342 -5.483 -11.598 1.00 25.00 C ATOM 125 O ILE A 10 -7.640 -4.320 -11.836 1.00 25.00 O ATOM 126 CB ILE A 10 -9.718 -6.267 -11.942 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.813 -7.260 -11.495 1.00 25.00 C ATOM 128 CG2 ILE A 10 -9.467 -6.385 -13.448 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.611 -8.737 -11.925 1.00 25.00 C ATOM 0 H ILE A 10 -9.395 -5.742 -9.508 1.00 25.00 H new ATOM 0 HA ILE A 10 -8.094 -7.533 -11.378 1.00 25.00 H new ATOM 0 HB ILE A 10 -10.072 -5.261 -11.717 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.884 -7.226 -10.408 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -11.770 -6.916 -11.888 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -10.400 -6.217 -13.987 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -8.732 -5.641 -13.754 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.091 -7.382 -13.677 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.440 -9.340 -11.555 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.575 -8.798 -13.013 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -9.676 -9.112 -11.509 1.00 25.00 H new ATOM 141 N CYS A 11 -6.093 -5.893 -11.548 1.00 25.00 N ATOM 142 CA CYS A 11 -4.980 -4.983 -11.797 1.00 25.00 C ATOM 143 C CYS A 11 -4.956 -4.564 -13.276 1.00 25.00 C ATOM 144 O CYS A 11 -5.062 -5.378 -14.180 1.00 25.00 O ATOM 145 CB CYS A 11 -3.683 -5.626 -11.339 1.00 25.00 C ATOM 146 SG CYS A 11 -2.354 -4.414 -10.986 1.00 25.00 S ATOM 0 H CYS A 11 -5.815 -6.852 -11.337 1.00 25.00 H new ATOM 0 HA CYS A 11 -5.106 -4.068 -11.218 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.875 -6.215 -10.442 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.338 -6.318 -12.107 1.00 25.00 H new ATOM 151 N SER A 12 -4.922 -3.260 -13.471 1.00 25.00 N ATOM 152 CA SER A 12 -5.084 -2.660 -14.783 1.00 25.00 C ATOM 153 C SER A 12 -3.807 -2.582 -15.602 1.00 25.00 C ATOM 154 O SER A 12 -2.693 -2.608 -15.074 1.00 25.00 O ATOM 155 CB SER A 12 -5.646 -1.252 -14.598 1.00 25.00 C ATOM 156 OG SER A 12 -6.812 -1.285 -13.801 1.00 25.00 O ATOM 0 H SER A 12 -4.781 -2.583 -12.721 1.00 25.00 H new ATOM 0 HA SER A 12 -5.759 -3.307 -15.344 1.00 25.00 H new ATOM 0 HB2 SER A 12 -4.897 -0.614 -14.130 1.00 25.00 H new ATOM 0 HB3 SER A 12 -5.875 -0.815 -15.570 1.00 25.00 H new ATOM 0 HG SER A 12 -6.560 -1.333 -12.855 1.00 25.00 H new ATOM 162 N LEU A 13 -3.973 -2.416 -16.903 1.00 25.00 N ATOM 163 CA LEU A 13 -2.852 -2.285 -17.820 1.00 25.00 C ATOM 164 C LEU A 13 -1.830 -1.235 -17.354 1.00 25.00 C ATOM 165 O LEU A 13 -0.642 -1.510 -17.346 1.00 25.00 O ATOM 166 CB LEU A 13 -3.362 -1.922 -19.227 1.00 25.00 C ATOM 167 CG LEU A 13 -2.296 -1.802 -20.325 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.805 -3.161 -20.780 1.00 25.00 C ATOM 169 CD2 LEU A 13 -2.932 -1.073 -21.492 1.00 25.00 C ATOM 0 H LEU A 13 -4.887 -2.368 -17.354 1.00 25.00 H new ATOM 0 HA LEU A 13 -2.343 -3.249 -17.843 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -4.086 -2.676 -19.534 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -3.897 -0.974 -19.164 1.00 25.00 H new ATOM 0 HG LEU A 13 -1.433 -1.262 -19.937 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.052 -3.034 -21.557 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.368 -3.692 -19.934 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.642 -3.736 -21.176 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -2.203 -0.968 -22.296 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -3.790 -1.641 -21.852 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -3.261 -0.085 -21.168 1.00 25.00 H new ATOM 181 N TYR A 14 -2.299 -0.067 -16.927 1.00 25.00 N ATOM 182 CA TYR A 14 -1.419 1.015 -16.493 1.00 25.00 C ATOM 183 C TYR A 14 -0.800 0.746 -15.109 1.00 25.00 C ATOM 184 O TYR A 14 0.301 1.175 -14.831 1.00 25.00 O ATOM 185 CB TYR A 14 -2.181 2.359 -16.492 1.00 25.00 C ATOM 186 CG TYR A 14 -3.258 2.493 -15.471 1.00 25.00 C ATOM 187 CD1 TYR A 14 -2.985 2.980 -14.188 1.00 25.00 C ATOM 188 CD2 TYR A 14 -4.586 2.124 -15.777 1.00 25.00 C ATOM 189 CE1 TYR A 14 -3.999 3.104 -13.238 1.00 25.00 C ATOM 190 CE2 TYR A 14 -5.616 2.249 -14.825 1.00 25.00 C ATOM 191 CZ TYR A 14 -5.305 2.741 -13.559 1.00 25.00 C ATOM 192 OH TYR A 14 -6.289 2.822 -12.613 1.00 25.00 O ATOM 0 H TYR A 14 -3.293 0.157 -16.872 1.00 25.00 H new ATOM 0 HA TYR A 14 -0.597 1.069 -17.207 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -1.461 3.163 -16.341 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -2.621 2.506 -17.478 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -1.975 3.264 -13.930 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -4.816 1.739 -16.759 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -3.771 3.482 -12.252 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -6.629 1.968 -15.072 1.00 25.00 H new ATOM 0 HH TYR A 14 -7.141 2.533 -13.002 1.00 25.00 H new ATOM 202 N GLN A 15 -1.511 0.018 -14.256 1.00 25.00 N ATOM 203 CA GLN A 15 -1.005 -0.318 -12.942 1.00 25.00 C ATOM 204 C GLN A 15 0.162 -1.241 -13.138 1.00 25.00 C ATOM 205 O GLN A 15 1.160 -1.122 -12.462 1.00 25.00 O ATOM 206 CB GLN A 15 -2.057 -0.979 -12.087 1.00 25.00 C ATOM 207 CG GLN A 15 -3.123 -0.008 -11.661 1.00 25.00 C ATOM 208 CD GLN A 15 -4.152 -0.665 -10.816 1.00 25.00 C ATOM 209 OE1 GLN A 15 -4.967 -1.411 -11.333 1.00 25.00 O ATOM 210 NE2 GLN A 15 -4.132 -0.428 -9.533 1.00 25.00 N ATOM 0 H GLN A 15 -2.441 -0.349 -14.457 1.00 25.00 H new ATOM 0 HA GLN A 15 -0.707 0.591 -12.420 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -2.513 -1.799 -12.642 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -1.588 -1.413 -11.204 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -2.668 0.814 -11.109 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -3.596 0.424 -12.543 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -3.433 0.203 -9.142 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -4.816 -0.874 -8.921 1.00 25.00 H new ATOM 219 N LEU A 16 0.078 -2.109 -14.130 1.00 25.00 N ATOM 220 CA LEU A 16 1.191 -2.955 -14.474 1.00 25.00 C ATOM 221 C LEU A 16 2.356 -2.208 -15.147 1.00 25.00 C ATOM 222 O LEU A 16 3.492 -2.431 -14.787 1.00 25.00 O ATOM 223 CB LEU A 16 0.751 -4.098 -15.372 1.00 25.00 C ATOM 224 CG LEU A 16 -0.030 -5.225 -14.702 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.827 -5.978 -15.757 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.870 -6.197 -13.944 1.00 25.00 C ATOM 0 H LEU A 16 -0.752 -2.242 -14.708 1.00 25.00 H new ATOM 0 HA LEU A 16 1.559 -3.341 -13.523 1.00 25.00 H new ATOM 0 HB2 LEU A 16 0.137 -3.686 -16.173 1.00 25.00 H new ATOM 0 HB3 LEU A 16 1.638 -4.527 -15.838 1.00 25.00 H new ATOM 0 HG LEU A 16 -0.696 -4.771 -13.969 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.387 -6.784 -15.283 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -1.520 -5.294 -16.246 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.146 -6.396 -16.498 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.260 -6.977 -13.488 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.581 -6.649 -14.636 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.413 -5.659 -13.166 1.00 25.00 H new ATOM 238 N GLU A 17 2.087 -1.337 -16.114 1.00 25.00 N ATOM 239 CA GLU A 17 3.189 -0.637 -16.755 1.00 25.00 C ATOM 240 C GLU A 17 3.927 0.264 -15.762 1.00 25.00 C ATOM 241 O GLU A 17 5.117 0.484 -15.872 1.00 25.00 O ATOM 242 CB GLU A 17 2.730 0.112 -18.009 1.00 25.00 C ATOM 243 CG GLU A 17 2.089 1.457 -17.780 1.00 25.00 C ATOM 244 CD GLU A 17 3.057 2.626 -17.747 1.00 25.00 C ATOM 245 OE1 GLU A 17 3.821 2.762 -18.722 1.00 25.00 O ATOM 246 OE2 GLU A 17 2.953 3.471 -16.853 1.00 25.00 O ATOM 0 H GLU A 17 1.155 -1.106 -16.459 1.00 25.00 H new ATOM 0 HA GLU A 17 3.908 -1.383 -17.093 1.00 25.00 H new ATOM 0 HB2 GLU A 17 3.592 0.249 -18.662 1.00 25.00 H new ATOM 0 HB3 GLU A 17 2.021 -0.519 -18.546 1.00 25.00 H new ATOM 0 HG2 GLU A 17 1.355 1.633 -18.567 1.00 25.00 H new ATOM 0 HG3 GLU A 17 1.544 1.428 -16.837 1.00 25.00 H new ATOM 253 N ASN A 18 3.244 0.671 -14.699 1.00 25.00 N ATOM 254 CA ASN A 18 3.860 1.478 -13.638 1.00 25.00 C ATOM 255 C ASN A 18 4.961 0.738 -12.839 1.00 25.00 C ATOM 256 O ASN A 18 5.739 1.377 -12.125 1.00 25.00 O ATOM 257 CB ASN A 18 2.769 1.908 -12.663 1.00 25.00 C ATOM 258 CG ASN A 18 3.202 3.034 -11.738 1.00 25.00 C ATOM 259 OD1 ASN A 18 3.302 2.862 -10.524 1.00 25.00 O ATOM 260 ND2 ASN A 18 3.386 4.208 -12.298 1.00 25.00 N ATOM 0 H ASN A 18 2.259 0.457 -14.543 1.00 25.00 H new ATOM 0 HA ASN A 18 4.341 2.324 -14.129 1.00 25.00 H new ATOM 0 HB2 ASN A 18 1.892 2.226 -13.227 1.00 25.00 H new ATOM 0 HB3 ASN A 18 2.468 1.049 -12.063 1.00 25.00 H new ATOM 0 HD21 ASN A 18 3.621 5.017 -11.722 1.00 25.00 H new ATOM 0 HD22 ASN A 18 3.294 4.311 -13.309 1.00 25.00 H new ATOM 267 N TYR A 19 5.016 -0.578 -12.941 1.00 25.00 N ATOM 268 CA TYR A 19 6.100 -1.358 -12.319 1.00 25.00 C ATOM 269 C TYR A 19 7.347 -1.320 -13.204 1.00 25.00 C ATOM 270 O TYR A 19 8.457 -1.615 -12.746 1.00 25.00 O ATOM 271 CB TYR A 19 5.715 -2.821 -12.237 1.00 25.00 C ATOM 272 CG TYR A 19 4.773 -3.171 -11.138 1.00 25.00 C ATOM 273 CD1 TYR A 19 3.384 -3.040 -11.301 1.00 25.00 C ATOM 274 CD2 TYR A 19 5.261 -3.687 -9.921 1.00 25.00 C ATOM 275 CE1 TYR A 19 2.488 -3.409 -10.288 1.00 25.00 C ATOM 276 CE2 TYR A 19 4.356 -4.082 -8.880 1.00 25.00 C ATOM 277 CZ TYR A 19 2.979 -3.923 -9.079 1.00 25.00 C ATOM 278 OH TYR A 19 2.091 -4.283 -8.109 1.00 25.00 O ATOM 0 H TYR A 19 4.329 -1.139 -13.445 1.00 25.00 H new ATOM 0 HA TYR A 19 6.282 -0.930 -11.333 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.266 -3.115 -13.186 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.623 -3.412 -12.117 1.00 25.00 H new ATOM 0 HD1 TYR A 19 2.997 -2.646 -12.229 1.00 25.00 H new ATOM 0 HD2 TYR A 19 6.326 -3.786 -9.770 1.00 25.00 H new ATOM 0 HE1 TYR A 19 1.424 -3.298 -10.438 1.00 25.00 H new ATOM 0 HE2 TYR A 19 4.732 -4.496 -7.956 1.00 25.00 H new ATOM 0 HH TYR A 19 2.301 -5.187 -7.793 1.00 25.00 H new ATOM 288 N CYS A 20 7.142 -1.082 -14.484 1.00 25.00 N ATOM 289 CA CYS A 20 8.245 -1.185 -15.432 1.00 25.00 C ATOM 290 C CYS A 20 9.225 -0.008 -15.280 1.00 25.00 C ATOM 291 O CYS A 20 8.909 0.968 -14.638 1.00 25.00 O ATOM 292 CB CYS A 20 7.734 -1.233 -16.871 1.00 25.00 C ATOM 293 SG CYS A 20 6.290 -2.317 -17.162 1.00 25.00 S ATOM 0 H CYS A 20 6.244 -0.821 -14.890 1.00 25.00 H new ATOM 0 HA CYS A 20 8.770 -2.114 -15.209 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.473 -0.220 -17.179 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.549 -1.562 -17.516 1.00 25.00 H new ATOM 298 N ASN A 21 10.412 -0.137 -15.852 1.00 25.00 N ATOM 299 CA ASN A 21 11.411 0.936 -15.789 1.00 25.00 C ATOM 300 C ASN A 21 11.028 2.053 -16.752 1.00 25.00 C ATOM 301 O ASN A 21 11.405 3.217 -16.491 1.00 25.00 O ATOM 302 CB ASN A 21 12.800 0.401 -16.178 1.00 25.00 C ATOM 303 CG ASN A 21 13.644 0.048 -14.970 1.00 25.00 C ATOM 304 OD1 ASN A 21 14.821 0.400 -14.871 1.00 25.00 O ATOM 305 ND2 ASN A 21 13.084 -0.748 -14.085 1.00 25.00 N ATOM 306 OXT ASN A 21 10.468 1.728 -17.818 1.00 25.00 O ATOM 0 H ASN A 21 10.713 -0.966 -16.364 1.00 25.00 H new ATOM 0 HA ASN A 21 11.443 1.317 -14.768 1.00 25.00 H new ATOM 0 HB2 ASN A 21 12.683 -0.482 -16.806 1.00 25.00 H new ATOM 0 HB3 ASN A 21 13.320 1.150 -16.775 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.626 -1.090 -13.292 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.108 -1.023 -14.192 1.00 25.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 -2.003 -8.037 -22.737 1.00 25.00 N ATOM 315 CA PHE B 1 -2.539 -8.230 -21.369 1.00 25.00 C ATOM 316 C PHE B 1 -4.055 -8.153 -21.403 1.00 25.00 C ATOM 317 O PHE B 1 -4.606 -7.349 -22.147 1.00 25.00 O ATOM 318 CB PHE B 1 -1.980 -7.182 -20.423 1.00 25.00 C ATOM 319 CG PHE B 1 -2.553 -7.269 -19.066 1.00 25.00 C ATOM 320 CD1 PHE B 1 -2.372 -8.436 -18.303 1.00 25.00 C ATOM 321 CD2 PHE B 1 -3.282 -6.207 -18.541 1.00 25.00 C ATOM 322 CE1 PHE B 1 -2.925 -8.546 -17.027 1.00 25.00 C ATOM 323 CE2 PHE B 1 -3.848 -6.295 -17.267 1.00 25.00 C ATOM 324 CZ PHE B 1 -3.671 -7.484 -16.504 1.00 25.00 C ATOM 0 H1 PHE B 1 -1.210 -7.364 -22.708 1.00 25.00 H new ATOM 0 H2 PHE B 1 -1.670 -8.948 -23.111 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.752 -7.663 -23.354 1.00 25.00 H new ATOM 0 HA PHE B 1 -2.236 -9.212 -21.005 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -0.898 -7.295 -20.363 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -2.175 -6.190 -20.831 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -1.799 -9.256 -18.709 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.411 -5.307 -19.123 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.778 -9.445 -16.447 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.415 -5.469 -16.864 1.00 25.00 H new ATOM 0 HZ PHE B 1 -4.112 -7.566 -15.522 1.00 25.00 H new ATOM 336 N VAL B 2 -4.735 -8.993 -20.614 1.00 25.00 N ATOM 337 CA VAL B 2 -6.175 -8.954 -20.444 1.00 25.00 C ATOM 338 C VAL B 2 -6.421 -8.770 -18.937 1.00 25.00 C ATOM 339 O VAL B 2 -5.787 -9.414 -18.106 1.00 25.00 O ATOM 340 CB VAL B 2 -6.884 -10.237 -21.008 1.00 25.00 C ATOM 341 CG1 VAL B 2 -6.768 -10.294 -22.541 1.00 25.00 C ATOM 342 CG2 VAL B 2 -6.282 -11.521 -20.428 1.00 25.00 C ATOM 0 H VAL B 2 -4.283 -9.728 -20.070 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.608 -8.133 -21.015 1.00 25.00 H new ATOM 0 HB VAL B 2 -7.931 -10.171 -20.713 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -7.266 -11.191 -22.910 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -7.240 -9.412 -22.975 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -5.716 -10.320 -22.826 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -6.800 -12.386 -20.843 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -5.224 -11.575 -20.684 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.393 -11.518 -19.344 1.00 25.00 H new ATOM 352 N ASN B 3 -7.268 -7.800 -18.573 1.00 25.00 N ATOM 353 CA ASN B 3 -7.463 -7.434 -17.148 1.00 25.00 C ATOM 354 C ASN B 3 -8.062 -8.609 -16.354 1.00 25.00 C ATOM 355 O ASN B 3 -9.112 -9.147 -16.719 1.00 25.00 O ATOM 356 CB ASN B 3 -8.367 -6.199 -17.069 1.00 25.00 C ATOM 357 CG ASN B 3 -7.803 -4.987 -17.777 1.00 25.00 C ATOM 358 OD1 ASN B 3 -6.671 -4.587 -17.566 1.00 25.00 O ATOM 359 ND2 ASN B 3 -8.601 -4.386 -18.621 1.00 25.00 N ATOM 0 H ASN B 3 -7.827 -7.255 -19.229 1.00 25.00 H new ATOM 0 HA ASN B 3 -6.497 -7.201 -16.700 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -9.338 -6.442 -17.501 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.537 -5.950 -16.021 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.281 -3.558 -19.124 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -9.543 -4.745 -18.776 1.00 25.00 H new ATOM 366 N GLN B 4 -7.372 -9.017 -15.288 1.00 25.00 N ATOM 367 CA GLN B 4 -7.799 -10.155 -14.428 1.00 25.00 C ATOM 368 C GLN B 4 -7.321 -9.885 -13.005 1.00 25.00 C ATOM 369 O GLN B 4 -6.569 -8.947 -12.796 1.00 25.00 O ATOM 370 CB GLN B 4 -7.154 -11.482 -14.883 1.00 25.00 C ATOM 371 CG GLN B 4 -7.740 -12.065 -16.164 1.00 25.00 C ATOM 372 CD GLN B 4 -7.039 -13.314 -16.637 1.00 25.00 C ATOM 373 OE1 GLN B 4 -5.834 -13.318 -16.860 1.00 25.00 O ATOM 374 NE2 GLN B 4 -7.774 -14.395 -16.807 1.00 25.00 N ATOM 0 H GLN B 4 -6.502 -8.579 -14.985 1.00 25.00 H new ATOM 0 HA GLN B 4 -8.884 -10.242 -14.493 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -6.086 -11.321 -15.028 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -7.260 -12.215 -14.084 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.794 -12.290 -16.002 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -7.692 -11.312 -16.951 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.775 -14.366 -16.615 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -7.341 -15.260 -17.131 1.00 25.00 H new ATOM 383 N HIS B 5 -7.680 -10.744 -12.050 1.00 25.00 N ATOM 384 CA HIS B 5 -7.115 -10.659 -10.687 1.00 25.00 C ATOM 385 C HIS B 5 -5.785 -11.370 -10.773 1.00 25.00 C ATOM 386 O HIS B 5 -5.715 -12.490 -11.271 1.00 25.00 O ATOM 387 CB HIS B 5 -8.001 -11.392 -9.667 1.00 25.00 C ATOM 388 CG HIS B 5 -8.682 -10.473 -8.684 1.00 25.00 C ATOM 389 ND1 HIS B 5 -9.944 -9.960 -8.817 1.00 25.00 N ATOM 390 CD2 HIS B 5 -8.226 -9.984 -7.507 1.00 25.00 C ATOM 391 CE1 HIS B 5 -10.200 -9.188 -7.757 1.00 25.00 C ATOM 392 NE2 HIS B 5 -9.197 -9.188 -6.908 1.00 25.00 N ATOM 0 H HIS B 5 -8.351 -11.501 -12.184 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.034 -9.622 -10.361 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -8.760 -11.963 -10.202 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -7.391 -12.109 -9.118 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.249 -10.183 -7.093 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.116 -8.634 -7.616 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -9.142 -8.710 -6.009 1.00 25.00 H new ATOM 400 N LEU B 6 -4.717 -10.706 -10.352 1.00 25.00 N ATOM 401 CA LEU B 6 -3.362 -11.211 -10.564 1.00 25.00 C ATOM 402 C LEU B 6 -2.550 -11.624 -9.328 1.00 25.00 C ATOM 403 O LEU B 6 -1.351 -11.834 -9.437 1.00 25.00 O ATOM 404 CB LEU B 6 -2.545 -10.176 -11.349 1.00 25.00 C ATOM 405 CG LEU B 6 -3.111 -9.690 -12.690 1.00 25.00 C ATOM 406 CD1 LEU B 6 -2.156 -8.671 -13.247 1.00 25.00 C ATOM 407 CD2 LEU B 6 -3.317 -10.838 -13.700 1.00 25.00 C ATOM 0 H LEU B 6 -4.760 -9.814 -9.860 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.528 -12.141 -11.107 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -2.403 -9.305 -10.709 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -1.558 -10.599 -11.535 1.00 25.00 H new ATOM 0 HG LEU B 6 -4.096 -9.256 -12.519 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -2.531 -8.305 -14.203 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -2.065 -7.838 -12.550 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -1.178 -9.130 -13.393 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -3.719 -10.436 -14.630 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -2.362 -11.325 -13.898 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.016 -11.565 -13.287 1.00 25.00 H new ATOM 419 N CYS B 7 -3.166 -11.754 -8.167 1.00 25.00 N ATOM 420 CA CYS B 7 -2.396 -12.155 -6.996 1.00 25.00 C ATOM 421 C CYS B 7 -2.005 -13.629 -7.063 1.00 25.00 C ATOM 422 O CYS B 7 -2.815 -14.505 -6.762 1.00 25.00 O ATOM 423 CB CYS B 7 -3.183 -11.871 -5.715 1.00 25.00 C ATOM 424 SG CYS B 7 -2.076 -11.579 -4.285 1.00 25.00 S ATOM 0 H CYS B 7 -4.161 -11.595 -8.007 1.00 25.00 H new ATOM 0 HA CYS B 7 -1.479 -11.566 -6.984 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -3.819 -10.999 -5.866 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -3.841 -12.713 -5.499 1.00 25.00 H new ATOM 429 N GLY B 8 -0.800 -13.909 -7.553 1.00 25.00 N ATOM 430 CA GLY B 8 -0.335 -15.258 -7.769 1.00 25.00 C ATOM 431 C GLY B 8 0.587 -15.304 -8.973 1.00 25.00 C ATOM 432 O GLY B 8 1.109 -14.260 -9.383 1.00 25.00 O ATOM 0 H GLY B 8 -0.120 -13.193 -7.810 1.00 25.00 H new ATOM 0 HA2 GLY B 8 0.191 -15.616 -6.884 1.00 25.00 H new ATOM 0 HA3 GLY B 8 -1.184 -15.923 -7.926 1.00 25.00 H new ATOM 436 N SER B 9 0.777 -16.485 -9.556 1.00 25.00 N ATOM 437 CA SER B 9 1.656 -16.666 -10.725 1.00 25.00 C ATOM 438 C SER B 9 1.267 -15.750 -11.902 1.00 25.00 C ATOM 439 O SER B 9 2.114 -15.337 -12.680 1.00 25.00 O ATOM 440 CB SER B 9 1.648 -18.146 -11.156 1.00 25.00 C ATOM 441 OG SER B 9 2.642 -18.407 -12.135 1.00 25.00 O ATOM 0 H SER B 9 0.331 -17.345 -9.238 1.00 25.00 H new ATOM 0 HA SER B 9 2.665 -16.379 -10.430 1.00 25.00 H new ATOM 0 HB2 SER B 9 1.817 -18.781 -10.286 1.00 25.00 H new ATOM 0 HB3 SER B 9 0.667 -18.405 -11.554 1.00 25.00 H new ATOM 0 HG SER B 9 2.613 -19.354 -12.387 1.00 25.00 H new ATOM 447 N HIS B 10 -0.013 -15.411 -11.994 1.00 25.00 N ATOM 448 CA HIS B 10 -0.533 -14.538 -13.091 1.00 25.00 C ATOM 449 C HIS B 10 0.142 -13.163 -13.154 1.00 25.00 C ATOM 450 O HIS B 10 0.202 -12.563 -14.242 1.00 25.00 O ATOM 451 CB HIS B 10 -2.048 -14.383 -12.931 1.00 25.00 C ATOM 452 CG HIS B 10 -2.815 -15.647 -13.160 1.00 25.00 C ATOM 453 ND1 HIS B 10 -3.347 -16.452 -12.163 1.00 25.00 N ATOM 454 CD2 HIS B 10 -3.175 -16.242 -14.320 1.00 25.00 C ATOM 455 CE1 HIS B 10 -3.969 -17.471 -12.745 1.00 25.00 C ATOM 456 NE2 HIS B 10 -3.884 -17.394 -14.059 1.00 25.00 N ATOM 0 H HIS B 10 -0.726 -15.717 -11.332 1.00 25.00 H new ATOM 0 HA HIS B 10 -0.295 -15.029 -14.035 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -2.262 -14.017 -11.927 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -2.401 -13.624 -13.629 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -2.941 -15.869 -15.306 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -4.478 -18.260 -12.212 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -4.264 -18.051 -14.740 1.00 25.00 H new ATOM 464 N LEU B 11 0.685 -12.673 -12.050 1.00 25.00 N ATOM 465 CA LEU B 11 1.429 -11.403 -12.024 1.00 25.00 C ATOM 466 C LEU B 11 2.668 -11.447 -12.908 1.00 25.00 C ATOM 467 O LEU B 11 3.029 -10.465 -13.556 1.00 25.00 O ATOM 468 CB LEU B 11 1.877 -11.057 -10.600 1.00 25.00 C ATOM 469 CG LEU B 11 2.356 -9.599 -10.374 1.00 25.00 C ATOM 470 CD1 LEU B 11 1.213 -8.569 -10.651 1.00 25.00 C ATOM 471 CD2 LEU B 11 2.868 -9.447 -8.933 1.00 25.00 C ATOM 0 H LEU B 11 0.628 -13.137 -11.143 1.00 25.00 H new ATOM 0 HA LEU B 11 0.744 -10.644 -12.402 1.00 25.00 H new ATOM 0 HB2 LEU B 11 1.048 -11.255 -9.921 1.00 25.00 H new ATOM 0 HB3 LEU B 11 2.686 -11.732 -10.321 1.00 25.00 H new ATOM 0 HG LEU B 11 3.163 -9.391 -11.076 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.585 -7.558 -10.482 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.879 -8.665 -11.684 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.377 -8.764 -9.980 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.205 -8.423 -8.773 1.00 25.00 H new ATOM 0 HD22 LEU B 11 2.063 -9.678 -8.235 1.00 25.00 H new ATOM 0 HD23 LEU B 11 3.699 -10.132 -8.768 1.00 25.00 H new ATOM 483 N VAL B 12 3.321 -12.599 -12.925 1.00 25.00 N ATOM 484 CA VAL B 12 4.549 -12.763 -13.691 1.00 25.00 C ATOM 485 C VAL B 12 4.241 -12.662 -15.177 1.00 25.00 C ATOM 486 O VAL B 12 4.910 -11.915 -15.891 1.00 25.00 O ATOM 487 CB VAL B 12 5.240 -14.120 -13.372 1.00 25.00 C ATOM 488 CG1 VAL B 12 6.505 -14.319 -14.199 1.00 25.00 C ATOM 489 CG2 VAL B 12 5.557 -14.222 -11.852 1.00 25.00 C ATOM 0 H VAL B 12 3.023 -13.433 -12.419 1.00 25.00 H new ATOM 0 HA VAL B 12 5.239 -11.968 -13.409 1.00 25.00 H new ATOM 0 HB VAL B 12 4.546 -14.916 -13.642 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.958 -15.278 -13.947 1.00 25.00 H new ATOM 0 HG12 VAL B 12 6.253 -14.305 -15.259 1.00 25.00 H new ATOM 0 HG13 VAL B 12 7.211 -13.517 -13.983 1.00 25.00 H new ATOM 0 HG21 VAL B 12 6.040 -15.177 -11.644 1.00 25.00 H new ATOM 0 HG22 VAL B 12 6.222 -13.408 -11.564 1.00 25.00 H new ATOM 0 HG23 VAL B 12 4.631 -14.153 -11.282 1.00 25.00 H new ATOM 499 N GLU B 13 3.205 -13.359 -15.630 1.00 25.00 N ATOM 500 CA GLU B 13 2.846 -13.301 -17.049 1.00 25.00 C ATOM 501 C GLU B 13 2.366 -11.912 -17.428 1.00 25.00 C ATOM 502 O GLU B 13 2.658 -11.395 -18.492 1.00 25.00 O ATOM 503 CB GLU B 13 1.726 -14.287 -17.359 1.00 25.00 C ATOM 504 CG GLU B 13 2.235 -15.618 -17.845 1.00 25.00 C ATOM 505 CD GLU B 13 2.605 -15.585 -19.330 1.00 25.00 C ATOM 506 OE1 GLU B 13 3.614 -14.954 -19.677 1.00 25.00 O ATOM 507 OE2 GLU B 13 1.796 -16.100 -20.132 1.00 25.00 O ATOM 0 H GLU B 13 2.610 -13.957 -15.056 1.00 25.00 H new ATOM 0 HA GLU B 13 3.739 -13.554 -17.620 1.00 25.00 H new ATOM 0 HB2 GLU B 13 1.124 -14.439 -16.463 1.00 25.00 H new ATOM 0 HB3 GLU B 13 1.069 -13.857 -18.115 1.00 25.00 H new ATOM 0 HG2 GLU B 13 3.108 -15.907 -17.260 1.00 25.00 H new ATOM 0 HG3 GLU B 13 1.473 -16.380 -17.678 1.00 25.00 H new ATOM 514 N ALA B 14 1.630 -11.294 -16.516 1.00 25.00 N ATOM 515 CA ALA B 14 1.125 -9.954 -16.739 1.00 25.00 C ATOM 516 C ALA B 14 2.287 -8.987 -16.951 1.00 25.00 C ATOM 517 O ALA B 14 2.277 -8.193 -17.885 1.00 25.00 O ATOM 518 CB ALA B 14 0.300 -9.542 -15.574 1.00 25.00 C ATOM 0 H ALA B 14 1.371 -11.701 -15.617 1.00 25.00 H new ATOM 0 HA ALA B 14 0.504 -9.938 -17.634 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -0.082 -8.534 -15.737 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -0.535 -10.233 -15.457 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.911 -9.557 -14.672 1.00 25.00 H new ATOM 524 N LEU B 15 3.294 -9.042 -16.089 1.00 25.00 N ATOM 525 CA LEU B 15 4.437 -8.142 -16.236 1.00 25.00 C ATOM 526 C LEU B 15 5.291 -8.509 -17.428 1.00 25.00 C ATOM 527 O LEU B 15 5.818 -7.608 -18.085 1.00 25.00 O ATOM 528 CB LEU B 15 5.277 -8.082 -14.963 1.00 25.00 C ATOM 529 CG LEU B 15 4.572 -7.291 -13.846 1.00 25.00 C ATOM 530 CD1 LEU B 15 5.260 -7.490 -12.515 1.00 25.00 C ATOM 531 CD2 LEU B 15 4.528 -5.788 -14.220 1.00 25.00 C ATOM 0 H LEU B 15 3.347 -9.683 -15.297 1.00 25.00 H new ATOM 0 HA LEU B 15 4.031 -7.146 -16.414 1.00 25.00 H new ATOM 0 HB2 LEU B 15 5.483 -9.095 -14.616 1.00 25.00 H new ATOM 0 HB3 LEU B 15 6.239 -7.619 -15.184 1.00 25.00 H new ATOM 0 HG LEU B 15 3.553 -7.665 -13.747 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.739 -6.919 -11.747 1.00 25.00 H new ATOM 0 HD12 LEU B 15 5.246 -8.548 -12.253 1.00 25.00 H new ATOM 0 HD13 LEU B 15 6.292 -7.147 -12.584 1.00 25.00 H new ATOM 0 HD21 LEU B 15 4.028 -5.230 -13.428 1.00 25.00 H new ATOM 0 HD22 LEU B 15 5.544 -5.414 -14.342 1.00 25.00 H new ATOM 0 HD23 LEU B 15 3.980 -5.661 -15.154 1.00 25.00 H new ATOM 543 N TYR B 16 5.364 -9.787 -17.786 1.00 25.00 N ATOM 544 CA TYR B 16 6.093 -10.206 -18.990 1.00 25.00 C ATOM 545 C TYR B 16 5.462 -9.535 -20.217 1.00 25.00 C ATOM 546 O TYR B 16 6.164 -8.942 -21.024 1.00 25.00 O ATOM 547 CB TYR B 16 6.088 -11.745 -19.145 1.00 25.00 C ATOM 548 CG TYR B 16 6.847 -12.189 -20.376 1.00 25.00 C ATOM 549 CD1 TYR B 16 8.255 -12.306 -20.358 1.00 25.00 C ATOM 550 CD2 TYR B 16 6.168 -12.460 -21.574 1.00 25.00 C ATOM 551 CE1 TYR B 16 8.980 -12.665 -21.529 1.00 25.00 C ATOM 552 CE2 TYR B 16 6.886 -12.850 -22.738 1.00 25.00 C ATOM 553 CZ TYR B 16 8.302 -12.927 -22.704 1.00 25.00 C ATOM 554 OH TYR B 16 8.998 -13.262 -23.832 1.00 25.00 O ATOM 0 H TYR B 16 4.932 -10.551 -17.266 1.00 25.00 H new ATOM 0 HA TYR B 16 7.134 -9.895 -18.899 1.00 25.00 H new ATOM 0 HB2 TYR B 16 6.532 -12.201 -18.260 1.00 25.00 H new ATOM 0 HB3 TYR B 16 5.059 -12.101 -19.204 1.00 25.00 H new ATOM 0 HD1 TYR B 16 8.791 -12.120 -19.439 1.00 25.00 H new ATOM 0 HD2 TYR B 16 5.092 -12.372 -21.612 1.00 25.00 H new ATOM 0 HE1 TYR B 16 10.057 -12.732 -21.499 1.00 25.00 H new ATOM 0 HE2 TYR B 16 6.354 -13.087 -23.647 1.00 25.00 H new ATOM 0 HH TYR B 16 9.748 -12.642 -23.950 1.00 25.00 H new ATOM 564 N LEU B 17 4.130 -9.586 -20.290 1.00 25.00 N ATOM 565 CA LEU B 17 3.387 -9.006 -21.416 1.00 25.00 C ATOM 566 C LEU B 17 3.374 -7.501 -21.452 1.00 25.00 C ATOM 567 O LEU B 17 3.401 -6.905 -22.535 1.00 25.00 O ATOM 568 CB LEU B 17 1.930 -9.488 -21.358 1.00 25.00 C ATOM 569 CG LEU B 17 1.674 -10.987 -21.708 1.00 25.00 C ATOM 570 CD1 LEU B 17 0.211 -11.292 -21.430 1.00 25.00 C ATOM 571 CD2 LEU B 17 2.035 -11.364 -23.169 1.00 25.00 C ATOM 0 H LEU B 17 3.541 -10.024 -19.582 1.00 25.00 H new ATOM 0 HA LEU B 17 3.906 -9.341 -22.314 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.550 -9.303 -20.353 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.341 -8.874 -22.039 1.00 25.00 H new ATOM 0 HG LEU B 17 2.334 -11.590 -21.084 1.00 25.00 H new ATOM 0 HD11 LEU B 17 0.006 -12.336 -21.667 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -0.005 -11.110 -20.377 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -0.418 -10.649 -22.046 1.00 25.00 H new ATOM 0 HD21 LEU B 17 1.829 -12.422 -23.333 1.00 25.00 H new ATOM 0 HD22 LEU B 17 1.437 -10.766 -23.857 1.00 25.00 H new ATOM 0 HD23 LEU B 17 3.093 -11.169 -23.344 1.00 25.00 H new ATOM 583 N VAL B 18 3.240 -6.856 -20.305 1.00 25.00 N ATOM 584 CA VAL B 18 3.082 -5.400 -20.260 1.00 25.00 C ATOM 585 C VAL B 18 4.436 -4.675 -20.336 1.00 25.00 C ATOM 586 O VAL B 18 4.589 -3.740 -21.116 1.00 25.00 O ATOM 587 CB VAL B 18 2.256 -4.921 -19.012 1.00 25.00 C ATOM 588 CG1 VAL B 18 2.163 -3.396 -18.980 1.00 25.00 C ATOM 589 CG2 VAL B 18 0.810 -5.499 -19.060 1.00 25.00 C ATOM 0 H VAL B 18 3.237 -7.310 -19.392 1.00 25.00 H new ATOM 0 HA VAL B 18 2.508 -5.130 -21.146 1.00 25.00 H new ATOM 0 HB VAL B 18 2.770 -5.278 -18.120 1.00 25.00 H new ATOM 0 HG11 VAL B 18 1.587 -3.085 -18.108 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.165 -2.971 -18.923 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.670 -3.042 -19.886 1.00 25.00 H new ATOM 0 HG21 VAL B 18 0.252 -5.157 -18.188 1.00 25.00 H new ATOM 0 HG22 VAL B 18 0.311 -5.157 -19.967 1.00 25.00 H new ATOM 0 HG23 VAL B 18 0.853 -6.588 -19.059 1.00 25.00 H new ATOM 599 N CYS B 19 5.429 -5.129 -19.579 1.00 25.00 N ATOM 600 CA CYS B 19 6.744 -4.476 -19.639 1.00 25.00 C ATOM 601 C CYS B 19 7.527 -4.883 -20.889 1.00 25.00 C ATOM 602 O CYS B 19 8.489 -4.223 -21.276 1.00 25.00 O ATOM 603 CB CYS B 19 7.603 -4.801 -18.416 1.00 25.00 C ATOM 604 SG CYS B 19 6.953 -4.207 -16.821 1.00 25.00 S ATOM 0 H CYS B 19 5.361 -5.918 -18.936 1.00 25.00 H new ATOM 0 HA CYS B 19 6.537 -3.406 -19.666 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.727 -5.882 -18.358 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.595 -4.374 -18.566 1.00 25.00 H new ATOM 609 N GLY B 20 7.140 -5.996 -21.500 1.00 25.00 N ATOM 610 CA GLY B 20 7.868 -6.483 -22.656 1.00 25.00 C ATOM 611 C GLY B 20 9.250 -6.873 -22.204 1.00 25.00 C ATOM 612 O GLY B 20 10.261 -6.413 -22.761 1.00 25.00 O ATOM 0 H GLY B 20 6.342 -6.566 -21.219 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.356 -7.338 -23.097 1.00 25.00 H new ATOM 0 HA3 GLY B 20 7.922 -5.712 -23.425 1.00 25.00 H new ATOM 616 N GLU B 21 9.298 -7.654 -21.119 1.00 25.00 N ATOM 617 CA GLU B 21 10.520 -8.111 -20.411 1.00 25.00 C ATOM 618 C GLU B 21 11.242 -6.993 -19.636 1.00 25.00 C ATOM 619 O GLU B 21 11.625 -7.168 -18.460 1.00 25.00 O ATOM 620 CB GLU B 21 11.549 -8.756 -21.377 1.00 25.00 C ATOM 621 CG GLU B 21 10.955 -9.783 -22.345 1.00 25.00 C ATOM 622 CD GLU B 21 11.986 -10.404 -23.277 1.00 25.00 C ATOM 623 OE1 GLU B 21 13.200 -10.128 -23.116 1.00 25.00 O ATOM 624 OE2 GLU B 21 11.577 -11.174 -24.178 1.00 25.00 O ATOM 0 H GLU B 21 8.447 -8.008 -20.681 1.00 25.00 H new ATOM 0 HA GLU B 21 10.151 -8.849 -19.699 1.00 25.00 H new ATOM 0 HB2 GLU B 21 12.030 -7.967 -21.955 1.00 25.00 H new ATOM 0 HB3 GLU B 21 12.328 -9.239 -20.788 1.00 25.00 H new ATOM 0 HG2 GLU B 21 10.472 -10.574 -21.772 1.00 25.00 H new ATOM 0 HG3 GLU B 21 10.180 -9.302 -22.942 1.00 25.00 H new ATOM 631 N ARG B 22 11.486 -5.856 -20.277 1.00 25.00 N ATOM 632 CA ARG B 22 12.285 -4.795 -19.663 1.00 25.00 C ATOM 633 C ARG B 22 11.517 -4.014 -18.607 1.00 25.00 C ATOM 634 O ARG B 22 10.764 -3.114 -18.915 1.00 25.00 O ATOM 635 CB ARG B 22 12.856 -3.855 -20.738 1.00 25.00 C ATOM 636 CG ARG B 22 11.839 -3.413 -21.797 1.00 25.00 C ATOM 637 CD ARG B 22 12.493 -2.460 -22.773 1.00 25.00 C ATOM 638 NE ARG B 22 11.557 -2.107 -23.863 1.00 25.00 N ATOM 639 CZ ARG B 22 10.716 -1.078 -23.840 1.00 25.00 C ATOM 640 NH1 ARG B 22 10.619 -0.252 -22.833 1.00 25.00 N ATOM 641 NH2 ARG B 22 9.974 -0.865 -24.901 1.00 25.00 N ATOM 0 H ARG B 22 11.146 -5.643 -21.215 1.00 25.00 H new ATOM 0 HA ARG B 22 13.112 -5.281 -19.146 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.263 -2.969 -20.250 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.687 -4.354 -21.236 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.453 -4.283 -22.328 1.00 25.00 H new ATOM 0 HG3 ARG B 22 10.988 -2.929 -21.317 1.00 25.00 H new ATOM 0 HD2 ARG B 22 12.809 -1.557 -22.251 1.00 25.00 H new ATOM 0 HD3 ARG B 22 13.390 -2.917 -23.191 1.00 25.00 H new ATOM 0 HE ARG B 22 11.557 -2.698 -24.695 1.00 25.00 H new ATOM 0 HH11 ARG B 22 11.207 -0.380 -22.010 1.00 25.00 H new ATOM 0 HH12 ARG B 22 9.955 0.521 -22.870 1.00 25.00 H new ATOM 0 HH21 ARG B 22 10.053 -1.481 -25.711 1.00 25.00 H new ATOM 0 HH22 ARG B 22 9.318 -0.084 -24.916 1.00 25.00 H new ATOM 655 N GLY B 23 11.765 -4.372 -17.351 1.00 25.00 N ATOM 656 CA GLY B 23 11.133 -3.655 -16.240 1.00 25.00 C ATOM 657 C GLY B 23 10.794 -4.465 -15.009 1.00 25.00 C ATOM 658 O GLY B 23 10.349 -3.917 -14.019 1.00 25.00 O ATOM 0 H GLY B 23 12.383 -5.135 -17.077 1.00 25.00 H new ATOM 0 HA2 GLY B 23 11.795 -2.843 -15.940 1.00 25.00 H new ATOM 0 HA3 GLY B 23 10.215 -3.198 -16.609 1.00 25.00 H new ATOM 662 N PHE B 24 11.006 -5.767 -15.049 1.00 25.00 N ATOM 663 CA PHE B 24 10.709 -6.595 -13.885 1.00 25.00 C ATOM 664 C PHE B 24 11.626 -7.801 -13.852 1.00 25.00 C ATOM 665 O PHE B 24 12.380 -8.027 -14.785 1.00 25.00 O ATOM 666 CB PHE B 24 9.247 -7.045 -13.902 1.00 25.00 C ATOM 667 CG PHE B 24 8.990 -8.262 -14.756 1.00 25.00 C ATOM 668 CD1 PHE B 24 9.029 -8.196 -16.157 1.00 25.00 C ATOM 669 CD2 PHE B 24 8.731 -9.517 -14.151 1.00 25.00 C ATOM 670 CE1 PHE B 24 8.813 -9.356 -16.948 1.00 25.00 C ATOM 671 CE2 PHE B 24 8.500 -10.673 -14.949 1.00 25.00 C ATOM 672 CZ PHE B 24 8.537 -10.585 -16.325 1.00 25.00 C ATOM 0 H PHE B 24 11.375 -6.271 -15.855 1.00 25.00 H new ATOM 0 HA PHE B 24 10.877 -5.999 -12.988 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.931 -7.257 -12.881 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.629 -6.223 -14.263 1.00 25.00 H new ATOM 0 HD1 PHE B 24 9.226 -7.251 -16.641 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.709 -9.597 -13.074 1.00 25.00 H new ATOM 0 HE1 PHE B 24 8.861 -9.294 -18.025 1.00 25.00 H new ATOM 0 HE2 PHE B 24 8.295 -11.622 -14.476 1.00 25.00 H new ATOM 0 HZ PHE B 24 8.353 -11.464 -16.926 1.00 25.00 H new ATOM 682 N PHE B 25 11.553 -8.575 -12.777 1.00 25.00 N ATOM 683 CA PHE B 25 12.396 -9.766 -12.624 1.00 25.00 C ATOM 684 C PHE B 25 11.562 -10.918 -12.086 1.00 25.00 C ATOM 685 O PHE B 25 10.964 -10.827 -11.012 1.00 25.00 O ATOM 686 CB PHE B 25 13.533 -9.469 -11.650 1.00 25.00 C ATOM 687 CG PHE B 25 14.315 -10.677 -11.246 1.00 25.00 C ATOM 688 CD1 PHE B 25 15.344 -11.164 -12.056 1.00 25.00 C ATOM 689 CD2 PHE B 25 14.028 -11.344 -10.030 1.00 25.00 C ATOM 690 CE1 PHE B 25 16.100 -12.305 -11.673 1.00 25.00 C ATOM 691 CE2 PHE B 25 14.780 -12.480 -9.617 1.00 25.00 C ATOM 692 CZ PHE B 25 15.826 -12.969 -10.450 1.00 25.00 C ATOM 0 H PHE B 25 10.921 -8.404 -11.995 1.00 25.00 H new ATOM 0 HA PHE B 25 12.810 -10.038 -13.595 1.00 25.00 H new ATOM 0 HB2 PHE B 25 14.209 -8.746 -12.106 1.00 25.00 H new ATOM 0 HB3 PHE B 25 13.120 -9.000 -10.757 1.00 25.00 H new ATOM 0 HD1 PHE B 25 15.568 -10.666 -12.988 1.00 25.00 H new ATOM 0 HD2 PHE B 25 13.224 -10.984 -9.405 1.00 25.00 H new ATOM 0 HE1 PHE B 25 16.887 -12.668 -12.317 1.00 25.00 H new ATOM 0 HE2 PHE B 25 14.559 -12.967 -8.679 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.403 -13.833 -10.155 1.00 25.00 H new HETATM 702 N NVA B 26 11.584 -12.046 -12.807 1.00 25.00 N HETATM 703 CA NVA B 26 11.050 -13.363 -12.354 1.00 25.00 C HETATM 704 CB NVA B 26 10.223 -14.159 -13.425 1.00 25.00 C HETATM 705 CG NVA B 26 11.036 -14.722 -14.628 1.00 25.00 C HETATM 706 CD NVA B 26 10.154 -15.637 -15.544 1.00 25.00 C HETATM 707 C NVA B 26 12.178 -14.192 -11.751 1.00 25.00 C HETATM 708 O NVA B 26 13.279 -14.304 -12.273 1.00 25.00 O HETATM 0 HG3 NVA B 26 11.436 -13.896 -15.216 1.00 25.00 H new HETATM 0 HG2 NVA B 26 11.888 -15.291 -14.257 1.00 25.00 H new HETATM 0 HD2 NVA B 26 9.316 -15.060 -15.936 1.00 25.00 H new HETATM 0 HB3 NVA B 26 9.724 -14.990 -12.927 1.00 25.00 H new HETATM 0 HB2 NVA B 26 9.442 -13.505 -13.813 1.00 25.00 H new HETATM 0 HA NVA B 26 10.307 -13.145 -11.587 1.00 25.00 H new HETATM 0 H NVA B 26 11.402 -11.721 -13.756 1.00 25.00 H new ATOM 717 N THR B 27 11.867 -14.842 -10.595 1.00 25.00 N ATOM 718 CA THR B 27 12.745 -15.843 -9.974 1.00 25.00 C ATOM 719 C THR B 27 12.834 -16.969 -11.020 1.00 25.00 C ATOM 720 O THR B 27 11.850 -17.219 -11.710 1.00 25.00 O ATOM 721 CB THR B 27 12.135 -16.388 -8.647 1.00 25.00 C ATOM 722 OG1 THR B 27 10.726 -16.546 -8.810 1.00 25.00 O ATOM 723 CG2 THR B 27 12.396 -15.396 -7.496 1.00 25.00 C ATOM 0 H THR B 27 11.002 -14.679 -10.079 1.00 25.00 H new ATOM 0 HA THR B 27 13.717 -15.426 -9.712 1.00 25.00 H new ATOM 0 HB THR B 27 12.598 -17.346 -8.409 1.00 25.00 H new ATOM 0 HG1 THR B 27 10.337 -16.890 -7.979 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.966 -15.787 -6.574 1.00 25.00 H new ATOM 0 HG22 THR B 27 13.470 -15.263 -7.367 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.937 -14.436 -7.732 1.00 25.00 H new ATOM 731 N PRO B 28 14.004 -17.630 -11.152 1.00 25.00 N ATOM 732 CA PRO B 28 14.110 -18.647 -12.212 1.00 25.00 C ATOM 733 C PRO B 28 13.066 -19.754 -12.120 1.00 25.00 C ATOM 734 O PRO B 28 12.652 -20.157 -11.037 1.00 25.00 O ATOM 735 CB PRO B 28 15.531 -19.205 -12.013 1.00 25.00 C ATOM 736 CG PRO B 28 16.281 -18.101 -11.400 1.00 25.00 C ATOM 737 CD PRO B 28 15.293 -17.479 -10.446 1.00 25.00 C ATOM 0 HA PRO B 28 13.930 -18.216 -13.197 1.00 25.00 H new ATOM 0 HB2 PRO B 28 15.525 -20.085 -11.370 1.00 25.00 H new ATOM 0 HB3 PRO B 28 15.975 -19.507 -12.962 1.00 25.00 H new ATOM 0 HG2 PRO B 28 17.168 -18.461 -10.879 1.00 25.00 H new ATOM 0 HG3 PRO B 28 16.620 -17.384 -12.148 1.00 25.00 H new ATOM 0 HD2 PRO B 28 15.287 -17.989 -9.483 1.00 25.00 H new ATOM 0 HD3 PRO B 28 15.525 -16.432 -10.251 1.00 25.00 H new HETATM 745 N HIX B 29 12.642 -20.154 -13.317 1.00 25.00 N HETATM 746 CA HIX B 29 11.608 -21.178 -13.587 1.00 25.00 C HETATM 747 C HIX B 29 12.074 -22.087 -14.728 1.00 25.00 C HETATM 748 O HIX B 29 11.856 -21.849 -15.908 1.00 25.00 O HETATM 749 CB HIX B 29 10.238 -20.491 -13.909 1.00 25.00 C HETATM 750 CG HIX B 29 10.366 -19.169 -14.692 1.00 25.00 C HETATM 751 CD2 HIX B 29 10.212 -17.935 -14.274 1.00 25.00 C HETATM 752 ND1 HIX B 29 10.632 -19.154 -16.009 1.00 25.00 N HETATM 753 NE1 HIX B 29 10.827 -17.804 -16.510 1.00 25.00 N HETATM 754 NE2 HIX B 29 10.373 -17.084 -15.349 1.00 25.00 N ATOM 762 N THR B 30 12.786 -23.171 -14.322 1.00 25.00 N ATOM 763 CA THR B 30 13.441 -24.169 -15.197 1.00 25.00 C ATOM 764 C THR B 30 14.023 -25.175 -14.204 1.00 25.00 C ATOM 765 O THR B 30 14.349 -26.302 -14.579 1.00 25.00 O ATOM 766 CB THR B 30 14.549 -23.538 -16.108 1.00 25.00 C ATOM 767 OG1 THR B 30 15.002 -24.491 -17.069 1.00 25.00 O ATOM 768 CG2 THR B 30 15.727 -23.052 -15.312 1.00 25.00 C ATOM 769 OXT THR B 30 14.091 -24.775 -13.015 1.00 25.00 O ATOM 0 H THR B 30 12.923 -23.379 -13.333 1.00 25.00 H new ATOM 0 HA THR B 30 12.747 -24.620 -15.906 1.00 25.00 H new ATOM 0 HB THR B 30 14.097 -22.682 -16.610 1.00 25.00 H new ATOM 0 HG1 THR B 30 15.693 -24.084 -17.633 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.469 -22.623 -15.985 1.00 25.00 H new ATOM 0 HG22 THR B 30 15.398 -22.292 -14.603 1.00 25.00 H new ATOM 0 HG23 THR B 30 16.169 -23.888 -14.770 1.00 25.00 H new TER 777 THR B 30