USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 391 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.618 K(o=1.3,f=-0.16) USER MOD Set 1.2: A 19 TYR OH : rot -11:sc= 0.671 USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.443 (180deg=-0.737) USER MOD Single : A 8 THR OG1 : rot -37:sc= 0.225 USER MOD Single : A 9 SER OG : rot 92:sc= 0.285 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= 0.466 K(o=0.47,f=-4.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 21 ASN : amide:sc=-0.00828 X(o=-0.0083,f=-0.039) USER MOD Single : B 1 PHE N :NH3+ 147:sc= -2.16! (180deg=-4.82!) USER MOD Single : B 3 ASN : amide:sc= 0.64 K(o=0.64,f=-4.7!) USER MOD Single : B 4 GLN : amide:sc=-0.00748 X(o=-0.0075,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-2.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.43) 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 -47:sc= 0.135 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.981 -0.594 -2.266 1.00 25.00 N ATOM 2 CA GLY A 1 3.782 0.137 -1.874 1.00 25.00 C ATOM 3 C GLY A 1 2.821 0.153 -3.027 1.00 25.00 C ATOM 4 O GLY A 1 1.783 0.828 -3.058 1.00 25.00 O ATOM 0 H1 GLY A 1 5.723 -0.454 -1.550 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.760 -1.607 -2.342 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.317 -0.243 -3.186 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.321 -0.334 -1.006 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.040 1.156 -1.585 1.00 25.00 H new ATOM 9 N ILE A 2 3.226 -0.640 -4.021 1.00 25.00 N ATOM 10 CA ILE A 2 2.535 -0.757 -5.318 1.00 25.00 C ATOM 11 C ILE A 2 1.047 -1.053 -5.173 1.00 25.00 C ATOM 12 O ILE A 2 0.179 -0.276 -5.554 1.00 25.00 O ATOM 13 CB ILE A 2 3.176 -1.869 -6.247 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.739 -1.656 -6.340 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.542 -1.843 -7.697 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.488 -2.716 -7.175 1.00 25.00 C ATOM 0 H ILE A 2 4.055 -1.230 -3.952 1.00 25.00 H new ATOM 0 HA ILE A 2 2.658 0.221 -5.783 1.00 25.00 H new ATOM 0 HB ILE A 2 2.966 -2.842 -5.804 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.933 -0.673 -6.769 1.00 25.00 H new ATOM 0 HG13 ILE A 2 5.151 -1.651 -5.331 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.003 -2.618 -8.310 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.469 -2.025 -7.628 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.716 -0.868 -8.153 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.554 -2.487 -7.182 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.331 -3.702 -6.737 1.00 25.00 H new ATOM 0 HD13 ILE A 2 5.109 -2.709 -8.197 1.00 25.00 H new ATOM 28 N VAL A 3 0.718 -2.122 -4.459 1.00 25.00 N ATOM 29 CA VAL A 3 -0.675 -2.511 -4.331 1.00 25.00 C ATOM 30 C VAL A 3 -1.417 -1.597 -3.425 1.00 25.00 C ATOM 31 O VAL A 3 -2.617 -1.500 -3.488 1.00 25.00 O ATOM 32 CB VAL A 3 -0.837 -3.987 -3.837 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.337 -4.937 -4.919 1.00 25.00 C ATOM 34 CG2 VAL A 3 -0.107 -4.277 -2.464 1.00 25.00 C ATOM 0 H VAL A 3 1.382 -2.722 -3.970 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.101 -2.439 -5.332 1.00 25.00 H new ATOM 0 HB VAL A 3 -1.898 -4.149 -3.650 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.448 -5.967 -4.579 1.00 25.00 H new ATOM 0 HG12 VAL A 3 -0.919 -4.791 -5.829 1.00 25.00 H new ATOM 0 HG13 VAL A 3 0.714 -4.734 -5.124 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -0.262 -5.319 -2.183 1.00 25.00 H new ATOM 0 HG22 VAL A 3 0.960 -4.085 -2.572 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -0.516 -3.628 -1.690 1.00 25.00 H new ATOM 44 N GLU A 4 -0.728 -0.968 -2.511 1.00 25.00 N ATOM 45 CA GLU A 4 -1.395 -0.104 -1.548 1.00 25.00 C ATOM 46 C GLU A 4 -1.911 1.111 -2.245 1.00 25.00 C ATOM 47 O GLU A 4 -3.025 1.568 -1.981 1.00 25.00 O ATOM 48 CB GLU A 4 -0.469 0.334 -0.377 1.00 25.00 C ATOM 49 CG GLU A 4 0.156 -0.821 0.418 1.00 25.00 C ATOM 50 CD GLU A 4 -0.889 -1.713 0.982 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.992 -2.860 0.620 1.00 25.00 O ATOM 52 OE2 GLU A 4 -1.652 -1.166 1.882 1.00 25.00 O ATOM 0 H GLU A 4 0.285 -1.030 -2.405 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.211 -0.683 -1.115 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.332 0.955 -0.779 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.043 0.958 0.307 1.00 25.00 H new ATOM 0 HG2 GLU A 4 0.817 -1.396 -0.230 1.00 25.00 H new ATOM 0 HG3 GLU A 4 0.770 -0.420 1.225 1.00 25.00 H new ATOM 60 N GLN A 5 -1.089 1.607 -3.158 1.00 25.00 N ATOM 61 CA GLN A 5 -1.477 2.763 -3.917 1.00 25.00 C ATOM 62 C GLN A 5 -2.529 2.424 -4.979 1.00 25.00 C ATOM 63 O GLN A 5 -3.555 3.123 -5.132 1.00 25.00 O ATOM 64 CB GLN A 5 -0.237 3.410 -4.533 1.00 25.00 C ATOM 65 CG GLN A 5 0.693 4.088 -3.527 1.00 25.00 C ATOM 66 CD GLN A 5 1.958 4.650 -4.177 1.00 25.00 C ATOM 67 OE1 GLN A 5 2.956 3.970 -4.323 1.00 25.00 O ATOM 68 NE2 GLN A 5 1.907 5.865 -4.620 1.00 25.00 N ATOM 0 H GLN A 5 -0.168 1.229 -3.381 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.947 3.479 -3.243 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.326 2.647 -5.071 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.556 4.149 -5.268 1.00 25.00 H new ATOM 0 HG2 GLN A 5 0.156 4.895 -3.029 1.00 25.00 H new ATOM 0 HG3 GLN A 5 0.974 3.370 -2.757 1.00 25.00 H new ATOM 0 HE21 GLN A 5 1.062 6.421 -4.489 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.712 6.267 -5.101 1.00 25.00 H new ATOM 77 N CYS A 6 -2.264 1.413 -5.766 1.00 25.00 N ATOM 78 CA CYS A 6 -3.126 1.125 -6.910 1.00 25.00 C ATOM 79 C CYS A 6 -4.398 0.344 -6.588 1.00 25.00 C ATOM 80 O CYS A 6 -5.308 0.320 -7.374 1.00 25.00 O ATOM 81 CB CYS A 6 -2.341 0.422 -7.989 1.00 25.00 C ATOM 82 SG CYS A 6 -0.868 1.396 -8.458 1.00 25.00 S ATOM 0 H CYS A 6 -1.474 0.778 -5.649 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.472 2.099 -7.257 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.034 -0.564 -7.639 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.974 0.267 -8.863 1.00 25.00 H new ATOM 87 N CYS A 7 -4.487 -0.309 -5.412 1.00 25.00 N ATOM 88 CA CYS A 7 -5.712 -1.036 -5.105 1.00 25.00 C ATOM 89 C CYS A 7 -6.842 -0.091 -4.622 1.00 25.00 C ATOM 90 O CYS A 7 -8.030 -0.499 -4.602 1.00 25.00 O ATOM 91 CB CYS A 7 -5.434 -2.143 -4.105 1.00 25.00 C ATOM 92 SG CYS A 7 -6.790 -3.312 -3.823 1.00 25.00 S ATOM 0 H CYS A 7 -3.759 -0.344 -4.698 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.070 -1.496 -6.026 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -4.562 -2.702 -4.444 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -5.169 -1.687 -3.151 1.00 25.00 H new ATOM 97 N THR A 8 -6.536 1.129 -4.308 1.00 25.00 N ATOM 98 CA THR A 8 -7.542 2.086 -3.816 1.00 25.00 C ATOM 99 C THR A 8 -7.683 3.293 -4.763 1.00 25.00 C ATOM 100 O THR A 8 -8.525 4.152 -4.609 1.00 25.00 O ATOM 101 CB THR A 8 -7.231 2.550 -2.367 1.00 25.00 C ATOM 102 OG1 THR A 8 -8.370 3.240 -1.860 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.009 3.432 -2.299 1.00 25.00 C ATOM 0 H THR A 8 -5.593 1.512 -4.376 1.00 25.00 H new ATOM 0 HA THR A 8 -8.498 1.563 -3.797 1.00 25.00 H new ATOM 0 HB THR A 8 -7.015 1.671 -1.760 1.00 25.00 H new ATOM 0 HG1 THR A 8 -8.777 3.770 -2.577 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.833 3.730 -1.266 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.143 2.884 -2.671 1.00 25.00 H new ATOM 0 HG23 THR A 8 -6.167 4.320 -2.911 1.00 25.00 H new ATOM 111 N SER A 9 -6.797 3.356 -5.735 1.00 25.00 N ATOM 112 CA SER A 9 -6.762 4.433 -6.703 1.00 25.00 C ATOM 113 C SER A 9 -6.731 3.755 -8.023 1.00 25.00 C ATOM 114 O SER A 9 -6.754 2.530 -8.082 1.00 25.00 O ATOM 115 CB SER A 9 -5.488 5.270 -6.557 1.00 25.00 C ATOM 116 OG SER A 9 -5.199 5.603 -5.184 1.00 25.00 O ATOM 0 H SER A 9 -6.072 2.653 -5.877 1.00 25.00 H new ATOM 0 HA SER A 9 -7.612 5.103 -6.574 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.646 4.721 -6.979 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.592 6.188 -7.136 1.00 25.00 H new ATOM 0 HG SER A 9 -4.611 4.920 -4.798 1.00 25.00 H new ATOM 122 N ILE A 10 -6.766 4.509 -9.089 1.00 25.00 N ATOM 123 CA ILE A 10 -6.631 3.920 -10.408 1.00 25.00 C ATOM 124 C ILE A 10 -5.277 4.324 -10.956 1.00 25.00 C ATOM 125 O ILE A 10 -5.075 5.495 -11.259 1.00 25.00 O ATOM 126 CB ILE A 10 -7.768 4.351 -11.375 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.128 3.917 -10.799 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.606 3.670 -12.733 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.935 5.052 -10.221 1.00 25.00 C ATOM 0 H ILE A 10 -6.885 5.522 -9.079 1.00 25.00 H new ATOM 0 HA ILE A 10 -6.709 2.836 -10.323 1.00 25.00 H new ATOM 0 HB ILE A 10 -7.719 5.434 -11.491 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.708 3.435 -11.586 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -8.962 3.170 -10.023 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.412 3.985 -13.396 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.647 3.951 -13.169 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -7.643 2.588 -12.604 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -10.879 4.668 -9.835 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.376 5.520 -9.411 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.134 5.790 -10.998 1.00 25.00 H new ATOM 141 N CYS A 11 -4.365 3.389 -11.062 1.00 25.00 N ATOM 142 CA CYS A 11 -3.028 3.708 -11.565 1.00 25.00 C ATOM 143 C CYS A 11 -3.010 3.441 -13.084 1.00 25.00 C ATOM 144 O CYS A 11 -2.967 2.298 -13.550 1.00 25.00 O ATOM 145 CB CYS A 11 -1.978 2.841 -10.895 1.00 25.00 C ATOM 146 SG CYS A 11 -1.694 3.140 -9.136 1.00 25.00 S ATOM 0 H CYS A 11 -4.509 2.410 -10.814 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.800 4.752 -11.348 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -2.265 1.797 -11.022 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.034 2.979 -11.422 1.00 25.00 H new ATOM 151 N SER A 12 -2.985 4.530 -13.851 1.00 25.00 N ATOM 152 CA SER A 12 -2.742 4.434 -15.315 1.00 25.00 C ATOM 153 C SER A 12 -1.358 3.809 -15.604 1.00 25.00 C ATOM 154 O SER A 12 -0.440 3.907 -14.780 1.00 25.00 O ATOM 155 CB SER A 12 -2.834 5.814 -15.931 1.00 25.00 C ATOM 156 OG SER A 12 -4.102 6.393 -15.677 1.00 25.00 O ATOM 0 H SER A 12 -3.126 5.479 -13.504 1.00 25.00 H new ATOM 0 HA SER A 12 -3.501 3.788 -15.757 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.049 6.452 -15.524 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.667 5.749 -17.006 1.00 25.00 H new ATOM 0 HG SER A 12 -4.141 7.285 -16.081 1.00 25.00 H new ATOM 162 N LEU A 13 -1.182 3.178 -16.778 1.00 25.00 N ATOM 163 CA LEU A 13 0.142 2.496 -17.103 1.00 25.00 C ATOM 164 C LEU A 13 1.271 3.514 -17.031 1.00 25.00 C ATOM 165 O LEU A 13 2.442 3.196 -16.563 1.00 25.00 O ATOM 166 CB LEU A 13 0.181 1.713 -18.429 1.00 25.00 C ATOM 167 CG LEU A 13 -0.195 0.252 -18.197 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.694 0.082 -17.776 1.00 25.00 C ATOM 169 CD2 LEU A 13 0.044 -0.598 -19.483 1.00 25.00 C ATOM 0 H LEU A 13 -1.890 3.111 -17.509 1.00 25.00 H new ATOM 0 HA LEU A 13 0.270 1.726 -16.343 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.507 2.163 -19.144 1.00 25.00 H new ATOM 0 HB3 LEU A 13 1.178 1.773 -18.865 1.00 25.00 H new ATOM 0 HG LEU A 13 0.444 -0.096 -17.386 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -1.911 -0.975 -17.623 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.876 0.628 -16.850 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -2.339 0.475 -18.562 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -0.232 -1.635 -19.290 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -0.566 -0.206 -20.297 1.00 25.00 H new ATOM 0 HD23 LEU A 13 1.097 -0.548 -19.762 1.00 25.00 H new ATOM 181 N TYR A 14 1.048 4.812 -17.342 1.00 25.00 N ATOM 182 CA TYR A 14 2.049 5.857 -17.181 1.00 25.00 C ATOM 183 C TYR A 14 2.607 5.953 -15.750 1.00 25.00 C ATOM 184 O TYR A 14 3.762 6.197 -15.511 1.00 25.00 O ATOM 185 CB TYR A 14 1.558 7.242 -17.666 1.00 25.00 C ATOM 186 CG TYR A 14 2.724 8.193 -18.020 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.394 7.984 -19.186 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.108 9.158 -17.164 1.00 25.00 C ATOM 189 CE1 TYR A 14 4.590 8.847 -19.595 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.174 9.969 -17.418 1.00 25.00 C ATOM 191 CZ TYR A 14 4.956 9.864 -18.523 1.00 25.00 C ATOM 192 OH TYR A 14 6.041 10.607 -18.731 1.00 25.00 O ATOM 0 H TYR A 14 0.160 5.151 -17.712 1.00 25.00 H new ATOM 0 HA TYR A 14 2.871 5.550 -17.828 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.921 7.112 -18.541 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.944 7.699 -16.890 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.073 7.187 -19.841 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.554 9.294 -16.247 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.113 8.746 -20.534 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.410 10.739 -16.699 1.00 25.00 H new ATOM 0 HH TYR A 14 6.168 11.219 -17.976 1.00 25.00 H new ATOM 202 N GLN A 15 1.695 5.751 -14.808 1.00 25.00 N ATOM 203 CA GLN A 15 2.035 5.822 -13.390 1.00 25.00 C ATOM 204 C GLN A 15 2.682 4.495 -12.954 1.00 25.00 C ATOM 205 O GLN A 15 3.671 4.544 -12.245 1.00 25.00 O ATOM 206 CB GLN A 15 0.741 6.086 -12.574 1.00 25.00 C ATOM 207 CG GLN A 15 0.040 7.481 -12.893 1.00 25.00 C ATOM 208 CD GLN A 15 -1.262 7.643 -12.168 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.238 6.971 -12.493 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.325 8.547 -11.242 1.00 25.00 N ATOM 0 H GLN A 15 0.716 5.537 -14.998 1.00 25.00 H new ATOM 0 HA GLN A 15 2.742 6.632 -13.212 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.031 5.282 -12.770 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.981 6.047 -11.511 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.711 8.294 -12.616 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.132 7.562 -13.966 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.494 9.086 -10.998 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.205 8.720 -10.757 1.00 25.00 H new ATOM 219 N LEU A 16 2.181 3.376 -13.461 1.00 25.00 N ATOM 220 CA LEU A 16 2.742 2.028 -13.168 1.00 25.00 C ATOM 221 C LEU A 16 4.233 1.950 -13.627 1.00 25.00 C ATOM 222 O LEU A 16 5.035 1.225 -13.036 1.00 25.00 O ATOM 223 CB LEU A 16 1.932 0.898 -13.852 1.00 25.00 C ATOM 224 CG LEU A 16 0.731 0.412 -13.008 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.460 -0.022 -13.900 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.092 -0.784 -12.095 1.00 25.00 C ATOM 0 H LEU A 16 1.376 3.358 -14.087 1.00 25.00 H new ATOM 0 HA LEU A 16 2.678 1.882 -12.090 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.570 1.253 -14.817 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.593 0.055 -14.050 1.00 25.00 H new ATOM 0 HG LEU A 16 0.451 1.267 -12.393 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.284 -0.357 -13.270 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.787 0.823 -14.506 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.148 -0.838 -14.552 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.213 -1.085 -11.525 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.431 -1.620 -12.707 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.887 -0.491 -11.409 1.00 25.00 H new ATOM 238 N GLU A 17 4.620 2.748 -14.614 1.00 25.00 N ATOM 239 CA GLU A 17 6.037 2.825 -15.029 1.00 25.00 C ATOM 240 C GLU A 17 6.940 3.215 -13.848 1.00 25.00 C ATOM 241 O GLU A 17 8.106 2.861 -13.864 1.00 25.00 O ATOM 242 CB GLU A 17 6.269 3.876 -16.106 1.00 25.00 C ATOM 243 CG GLU A 17 5.858 3.343 -17.474 1.00 25.00 C ATOM 244 CD GLU A 17 6.433 4.131 -18.593 1.00 25.00 C ATOM 245 OE1 GLU A 17 7.242 5.002 -18.438 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.869 3.851 -19.714 1.00 25.00 O ATOM 0 H GLU A 17 3.989 3.349 -15.144 1.00 25.00 H new ATOM 0 HA GLU A 17 6.280 1.833 -15.409 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.698 4.775 -15.873 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.321 4.162 -16.122 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.176 2.305 -17.565 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.771 3.351 -17.551 1.00 25.00 H new ATOM 254 N ASN A 18 6.428 3.898 -12.860 1.00 25.00 N ATOM 255 CA ASN A 18 7.254 4.293 -11.720 1.00 25.00 C ATOM 256 C ASN A 18 7.770 3.095 -10.927 1.00 25.00 C ATOM 257 O ASN A 18 8.731 3.199 -10.232 1.00 25.00 O ATOM 258 CB ASN A 18 6.454 5.188 -10.739 1.00 25.00 C ATOM 259 CG ASN A 18 6.240 6.579 -11.266 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.131 7.218 -11.802 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.042 7.075 -11.111 1.00 25.00 N ATOM 0 H ASN A 18 5.454 4.197 -12.808 1.00 25.00 H new ATOM 0 HA ASN A 18 8.099 4.836 -12.144 1.00 25.00 H new ATOM 0 HB2 ASN A 18 5.487 4.727 -10.539 1.00 25.00 H new ATOM 0 HB3 ASN A 18 6.984 5.242 -9.788 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.833 8.017 -11.441 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.315 6.520 -10.660 1.00 25.00 H new ATOM 268 N TYR A 19 7.105 1.953 -11.017 1.00 25.00 N ATOM 269 CA TYR A 19 7.524 0.761 -10.279 1.00 25.00 C ATOM 270 C TYR A 19 8.498 -0.061 -11.079 1.00 25.00 C ATOM 271 O TYR A 19 9.125 -0.988 -10.559 1.00 25.00 O ATOM 272 CB TYR A 19 6.291 -0.021 -9.888 1.00 25.00 C ATOM 273 CG TYR A 19 5.312 0.839 -9.153 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.664 1.407 -7.897 1.00 25.00 C ATOM 275 CD2 TYR A 19 4.048 1.119 -9.672 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.730 2.200 -7.172 1.00 25.00 C ATOM 277 CE2 TYR A 19 3.147 1.941 -8.970 1.00 25.00 C ATOM 278 CZ TYR A 19 3.493 2.458 -7.718 1.00 25.00 C ATOM 279 OH TYR A 19 2.594 3.213 -7.062 1.00 25.00 O ATOM 0 H TYR A 19 6.273 1.822 -11.592 1.00 25.00 H new ATOM 0 HA TYR A 19 8.055 1.051 -9.372 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.819 -0.431 -10.781 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.577 -0.866 -9.262 1.00 25.00 H new ATOM 0 HD1 TYR A 19 6.649 1.235 -7.490 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.757 0.700 -10.624 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.990 2.596 -6.201 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.184 2.173 -9.400 1.00 25.00 H new ATOM 0 HH TYR A 19 2.899 3.359 -6.142 1.00 25.00 H new ATOM 289 N CYS A 20 8.658 0.340 -12.349 1.00 25.00 N ATOM 290 CA CYS A 20 9.645 -0.234 -13.278 1.00 25.00 C ATOM 291 C CYS A 20 10.867 0.641 -13.346 1.00 25.00 C ATOM 292 O CYS A 20 11.898 0.277 -13.885 1.00 25.00 O ATOM 293 CB CYS A 20 9.005 -0.297 -14.657 1.00 25.00 C ATOM 294 SG CYS A 20 7.704 -1.561 -14.847 1.00 25.00 S ATOM 0 H CYS A 20 8.098 1.083 -12.766 1.00 25.00 H new ATOM 0 HA CYS A 20 9.942 -1.226 -12.937 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.578 0.679 -14.888 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.785 -0.486 -15.395 1.00 25.00 H new ATOM 299 N ASN A 21 10.760 1.848 -12.832 1.00 25.00 N ATOM 300 CA ASN A 21 11.853 2.831 -12.935 1.00 25.00 C ATOM 301 C ASN A 21 12.627 2.959 -11.650 1.00 25.00 C ATOM 302 O ASN A 21 12.161 3.355 -10.607 1.00 25.00 O ATOM 303 CB ASN A 21 11.340 4.187 -13.457 1.00 25.00 C ATOM 304 CG ASN A 21 12.496 5.098 -13.553 1.00 25.00 C ATOM 305 OD1 ASN A 21 13.512 4.874 -14.139 1.00 25.00 O ATOM 306 ND2 ASN A 21 12.337 6.246 -12.931 1.00 25.00 N ATOM 307 OXT ASN A 21 13.883 2.594 -11.705 1.00 25.00 O ATOM 0 H ASN A 21 9.935 2.185 -12.337 1.00 25.00 H new ATOM 0 HA ASN A 21 12.561 2.455 -13.673 1.00 25.00 H new ATOM 0 HB2 ASN A 21 10.866 4.067 -14.431 1.00 25.00 H new ATOM 0 HB3 ASN A 21 10.586 4.595 -12.784 1.00 25.00 H new ATOM 0 HD21 ASN A 21 13.081 6.943 -12.950 1.00 25.00 H new ATOM 0 HD22 ASN A 21 11.470 6.439 -12.430 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -2.954 2.931 -19.208 1.00 25.00 N ATOM 317 CA PHE B 1 -4.378 3.138 -19.636 1.00 25.00 C ATOM 318 C PHE B 1 -5.388 3.198 -18.442 1.00 25.00 C ATOM 319 O PHE B 1 -5.238 2.590 -17.437 1.00 25.00 O ATOM 320 CB PHE B 1 -4.824 2.023 -20.598 1.00 25.00 C ATOM 321 CG PHE B 1 -3.731 1.519 -21.569 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.279 2.415 -22.551 1.00 25.00 C ATOM 323 CD2 PHE B 1 -3.246 0.216 -21.505 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.326 1.977 -23.494 1.00 25.00 C ATOM 325 CE2 PHE B 1 -2.304 -0.191 -22.441 1.00 25.00 C ATOM 326 CZ PHE B 1 -1.856 0.669 -23.405 1.00 25.00 C ATOM 0 H1 PHE B 1 -2.454 2.369 -19.926 1.00 25.00 H new ATOM 0 H2 PHE B 1 -2.486 3.854 -19.102 1.00 25.00 H new ATOM 0 H3 PHE B 1 -2.935 2.426 -18.299 1.00 25.00 H new ATOM 0 HA PHE B 1 -4.394 4.108 -20.133 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -5.183 1.179 -20.009 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.669 2.386 -21.183 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -3.656 3.426 -22.584 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -3.595 -0.465 -20.743 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -1.969 2.641 -24.267 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -1.920 -1.200 -22.407 1.00 25.00 H new ATOM 0 HZ PHE B 1 -1.119 0.325 -24.116 1.00 25.00 H new ATOM 337 N VAL B 2 -6.459 3.970 -18.624 1.00 25.00 N ATOM 338 CA VAL B 2 -7.439 4.147 -17.550 1.00 25.00 C ATOM 339 C VAL B 2 -8.322 2.869 -17.500 1.00 25.00 C ATOM 340 O VAL B 2 -8.789 2.435 -18.558 1.00 25.00 O ATOM 341 CB VAL B 2 -8.329 5.473 -17.743 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.267 5.612 -16.499 1.00 25.00 C ATOM 343 CG2 VAL B 2 -7.450 6.735 -17.823 1.00 25.00 C ATOM 0 H VAL B 2 -6.669 4.474 -19.486 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.917 4.284 -16.603 1.00 25.00 H new ATOM 0 HB VAL B 2 -8.893 5.383 -18.671 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -9.882 6.505 -16.605 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -9.910 4.735 -16.428 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -8.663 5.693 -15.595 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -8.084 7.612 -17.953 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.875 6.837 -16.903 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.769 6.651 -18.670 1.00 25.00 H new ATOM 353 N ASN B 3 -8.520 2.294 -16.308 1.00 25.00 N ATOM 354 CA ASN B 3 -9.351 1.085 -16.102 1.00 25.00 C ATOM 355 C ASN B 3 -9.976 1.198 -14.700 1.00 25.00 C ATOM 356 O ASN B 3 -10.111 2.305 -14.208 1.00 25.00 O ATOM 357 CB ASN B 3 -8.492 -0.177 -16.217 1.00 25.00 C ATOM 358 CG ASN B 3 -9.293 -1.422 -16.664 1.00 25.00 C ATOM 359 OD1 ASN B 3 -10.013 -2.061 -15.875 1.00 25.00 O ATOM 360 ND2 ASN B 3 -9.182 -1.713 -17.896 1.00 25.00 N ATOM 0 H ASN B 3 -8.107 2.652 -15.447 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.131 1.014 -16.861 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -7.687 0.003 -16.929 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -8.026 -0.380 -15.253 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -9.698 -2.504 -18.282 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -8.577 -1.155 -18.499 1.00 25.00 H new ATOM 367 N GLN B 4 -10.288 0.097 -14.059 1.00 25.00 N ATOM 368 CA GLN B 4 -10.660 0.108 -12.677 1.00 25.00 C ATOM 369 C GLN B 4 -9.434 -0.109 -11.797 1.00 25.00 C ATOM 370 O GLN B 4 -8.313 -0.150 -12.290 1.00 25.00 O ATOM 371 CB GLN B 4 -11.723 -0.914 -12.440 1.00 25.00 C ATOM 372 CG GLN B 4 -13.123 -0.249 -12.417 1.00 25.00 C ATOM 373 CD GLN B 4 -13.562 0.326 -13.738 1.00 25.00 C ATOM 374 OE1 GLN B 4 -13.631 -0.367 -14.728 1.00 25.00 O ATOM 375 NE2 GLN B 4 -13.885 1.621 -13.731 1.00 25.00 N ATOM 0 H GLN B 4 -10.289 -0.829 -14.487 1.00 25.00 H new ATOM 0 HA GLN B 4 -11.071 1.081 -12.409 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -11.687 -1.672 -13.222 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -11.541 -1.424 -11.494 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -13.857 -0.987 -12.094 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -13.122 0.546 -11.671 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -13.809 2.161 -12.869 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -14.208 2.071 -14.588 1.00 25.00 H new ATOM 384 N HIS B 5 -9.627 -0.137 -10.477 1.00 25.00 N ATOM 385 CA HIS B 5 -8.467 -0.277 -9.567 1.00 25.00 C ATOM 386 C HIS B 5 -7.710 -1.596 -9.713 1.00 25.00 C ATOM 387 O HIS B 5 -6.505 -1.580 -9.837 1.00 25.00 O ATOM 388 CB HIS B 5 -8.889 -0.199 -8.108 1.00 25.00 C ATOM 389 CG HIS B 5 -9.922 0.863 -7.839 1.00 25.00 C ATOM 390 ND1 HIS B 5 -9.583 2.180 -7.494 1.00 25.00 N ATOM 391 CD2 HIS B 5 -11.278 0.844 -7.791 1.00 25.00 C ATOM 392 CE1 HIS B 5 -10.672 2.870 -7.243 1.00 25.00 C ATOM 393 NE2 HIS B 5 -11.707 2.101 -7.490 1.00 25.00 N ATOM 0 H HIS B 5 -10.535 -0.068 -10.018 1.00 25.00 H new ATOM 0 HA HIS B 5 -7.816 0.549 -9.854 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -9.285 -1.167 -7.800 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -8.010 -0.004 -7.493 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -11.907 -0.017 -7.962 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -10.709 3.891 -6.894 1.00 25.00 H new ATOM 0 HE2 HIS B 5 -12.682 2.399 -7.461 1.00 25.00 H new ATOM 402 N LEU B 6 -8.459 -2.696 -9.675 1.00 25.00 N ATOM 403 CA LEU B 6 -7.922 -4.029 -9.614 1.00 25.00 C ATOM 404 C LEU B 6 -7.133 -4.193 -8.282 1.00 25.00 C ATOM 405 O LEU B 6 -7.221 -3.378 -7.408 1.00 25.00 O ATOM 406 CB LEU B 6 -7.091 -4.346 -10.886 1.00 25.00 C ATOM 407 CG LEU B 6 -7.719 -4.150 -12.308 1.00 25.00 C ATOM 408 CD1 LEU B 6 -6.601 -4.409 -13.313 1.00 25.00 C ATOM 409 CD2 LEU B 6 -8.944 -5.094 -12.583 1.00 25.00 C ATOM 0 H LEU B 6 -9.479 -2.671 -9.687 1.00 25.00 H new ATOM 0 HA LEU B 6 -8.723 -4.768 -9.606 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -6.190 -3.734 -10.844 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -6.774 -5.386 -10.814 1.00 25.00 H new ATOM 0 HG LEU B 6 -8.118 -3.139 -12.391 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.986 -4.285 -14.325 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.789 -3.701 -13.144 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -6.228 -5.426 -13.188 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -9.330 -4.906 -13.585 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -8.627 -6.134 -12.506 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -9.726 -4.898 -11.850 1.00 25.00 H new ATOM 421 N CYS B 7 -6.467 -5.341 -8.093 1.00 25.00 N ATOM 422 CA CYS B 7 -5.796 -5.637 -6.805 1.00 25.00 C ATOM 423 C CYS B 7 -4.997 -6.870 -6.927 1.00 25.00 C ATOM 424 O CYS B 7 -3.796 -6.833 -6.761 1.00 25.00 O ATOM 425 CB CYS B 7 -6.797 -5.796 -5.623 1.00 25.00 C ATOM 426 SG CYS B 7 -6.007 -5.190 -4.066 1.00 25.00 S ATOM 0 H CYS B 7 -6.375 -6.073 -8.798 1.00 25.00 H new ATOM 0 HA CYS B 7 -5.156 -4.783 -6.582 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.708 -5.233 -5.825 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -7.086 -6.841 -5.515 1.00 25.00 H new HETATM 431 N AIB B 8 -5.694 -7.969 -7.357 1.00 25.00 N HETATM 432 CA AIB B 8 -5.074 -9.326 -7.520 1.00 25.00 C HETATM 433 C AIB B 8 -4.148 -9.374 -8.808 1.00 25.00 C HETATM 434 O AIB B 8 -3.671 -8.404 -9.328 1.00 25.00 O HETATM 435 CB1 AIB B 8 -6.258 -10.342 -7.642 1.00 25.00 C HETATM 436 CB2 AIB B 8 -4.191 -9.742 -6.280 1.00 25.00 C HETATM 0 H AIB B 8 -6.685 -7.941 -7.597 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -5.861 -11.350 -7.763 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -6.869 -10.298 -6.741 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -6.869 -10.086 -8.507 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -3.767 -10.731 -6.451 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -3.385 -9.020 -6.148 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -4.810 -9.763 -5.383 1.00 25.00 H new ATOM 444 N SER B 9 -3.902 -10.588 -9.309 1.00 25.00 N ATOM 445 CA SER B 9 -2.987 -10.994 -10.402 1.00 25.00 C ATOM 446 C SER B 9 -3.096 -10.137 -11.653 1.00 25.00 C ATOM 447 O SER B 9 -2.098 -9.899 -12.317 1.00 25.00 O ATOM 448 CB SER B 9 -3.258 -12.470 -10.795 1.00 25.00 C ATOM 449 OG SER B 9 -2.307 -12.893 -11.769 1.00 25.00 O ATOM 0 H SER B 9 -4.384 -11.401 -8.926 1.00 25.00 H new ATOM 0 HA SER B 9 -1.980 -10.861 -10.007 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.197 -13.108 -9.913 1.00 25.00 H new ATOM 0 HB3 SER B 9 -4.268 -12.571 -11.192 1.00 25.00 H new ATOM 0 HG SER B 9 -2.481 -13.826 -12.013 1.00 25.00 H new ATOM 455 N HIS B 10 -4.279 -9.635 -11.944 1.00 25.00 N ATOM 456 CA HIS B 10 -4.478 -8.714 -13.057 1.00 25.00 C ATOM 457 C HIS B 10 -3.593 -7.450 -12.951 1.00 25.00 C ATOM 458 O HIS B 10 -3.220 -6.854 -13.960 1.00 25.00 O ATOM 459 CB HIS B 10 -5.940 -8.223 -13.099 1.00 25.00 C ATOM 460 CG HIS B 10 -6.912 -9.312 -12.688 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.044 -10.542 -13.353 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.792 -9.417 -11.621 1.00 25.00 C ATOM 463 CE1 HIS B 10 -7.942 -11.271 -12.710 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.395 -10.617 -11.678 1.00 25.00 N ATOM 0 H HIS B 10 -5.129 -9.849 -11.422 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.212 -9.275 -13.953 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.054 -7.365 -12.437 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.180 -7.883 -14.106 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -7.964 -8.661 -10.870 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.254 -12.264 -12.999 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.094 -10.960 -11.020 1.00 25.00 H new ATOM 473 N LEU B 11 -3.307 -7.031 -11.732 1.00 25.00 N ATOM 474 CA LEU B 11 -2.568 -5.787 -11.467 1.00 25.00 C ATOM 475 C LEU B 11 -1.111 -6.123 -11.796 1.00 25.00 C ATOM 476 O LEU B 11 -0.446 -5.367 -12.532 1.00 25.00 O ATOM 477 CB LEU B 11 -2.797 -5.374 -9.998 1.00 25.00 C ATOM 478 CG LEU B 11 -2.310 -3.984 -9.530 1.00 25.00 C ATOM 479 CD1 LEU B 11 -2.961 -3.587 -8.183 1.00 25.00 C ATOM 480 CD2 LEU B 11 -0.807 -4.006 -9.331 1.00 25.00 C ATOM 0 H LEU B 11 -3.576 -7.537 -10.888 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.890 -4.933 -12.063 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.868 -5.431 -9.802 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -2.317 -6.122 -9.366 1.00 25.00 H new ATOM 0 HG LEU B 11 -2.591 -3.262 -10.297 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -2.599 -2.605 -7.880 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -4.044 -3.555 -8.298 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -2.699 -4.321 -7.422 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.469 -3.024 -9.001 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.551 -4.750 -8.577 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -0.319 -4.260 -10.272 1.00 25.00 H new ATOM 492 N VAL B 12 -0.678 -7.272 -11.349 1.00 25.00 N ATOM 493 CA VAL B 12 0.666 -7.791 -11.634 1.00 25.00 C ATOM 494 C VAL B 12 0.808 -7.971 -13.151 1.00 25.00 C ATOM 495 O VAL B 12 1.847 -7.694 -13.725 1.00 25.00 O ATOM 496 CB VAL B 12 0.825 -9.154 -10.901 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.204 -9.697 -11.147 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.544 -8.984 -9.400 1.00 25.00 C ATOM 0 H VAL B 12 -1.242 -7.893 -10.769 1.00 25.00 H new ATOM 0 HA VAL B 12 1.438 -7.105 -11.287 1.00 25.00 H new ATOM 0 HB VAL B 12 0.101 -9.869 -11.292 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.316 -10.652 -10.634 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.353 -9.841 -12.217 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.945 -8.993 -10.769 1.00 25.00 H new ATOM 0 HG21 VAL B 12 0.658 -9.944 -8.897 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.248 -8.267 -8.977 1.00 25.00 H new ATOM 0 HG23 VAL B 12 -0.474 -8.620 -9.259 1.00 25.00 H new ATOM 508 N GLU B 13 -0.257 -8.401 -13.843 1.00 25.00 N ATOM 509 CA GLU B 13 -0.198 -8.546 -15.312 1.00 25.00 C ATOM 510 C GLU B 13 -0.075 -7.175 -15.974 1.00 25.00 C ATOM 511 O GLU B 13 0.628 -7.049 -16.918 1.00 25.00 O ATOM 512 CB GLU B 13 -1.471 -9.210 -15.895 1.00 25.00 C ATOM 513 CG GLU B 13 -1.329 -9.593 -17.387 1.00 25.00 C ATOM 514 CD GLU B 13 -0.488 -10.853 -17.592 1.00 25.00 C ATOM 515 OE1 GLU B 13 -0.817 -11.926 -17.163 1.00 25.00 O ATOM 516 OE2 GLU B 13 0.548 -10.682 -18.381 1.00 25.00 O ATOM 0 H GLU B 13 -1.153 -8.651 -13.424 1.00 25.00 H new ATOM 0 HA GLU B 13 0.668 -9.175 -15.517 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.703 -10.105 -15.317 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.314 -8.528 -15.780 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -2.320 -9.748 -17.815 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.874 -8.764 -17.929 1.00 25.00 H new ATOM 524 N ALA B 14 -0.756 -6.155 -15.503 1.00 25.00 N ATOM 525 CA ALA B 14 -0.604 -4.843 -16.102 1.00 25.00 C ATOM 526 C ALA B 14 0.853 -4.412 -15.884 1.00 25.00 C ATOM 527 O ALA B 14 1.420 -3.782 -16.779 1.00 25.00 O ATOM 528 CB ALA B 14 -1.594 -3.862 -15.449 1.00 25.00 C ATOM 0 H ALA B 14 -1.410 -6.203 -14.722 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.823 -4.858 -17.170 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.480 -2.876 -15.899 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.613 -4.216 -15.605 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.391 -3.798 -14.380 1.00 25.00 H new ATOM 534 N LEU B 15 1.415 -4.710 -14.731 1.00 25.00 N ATOM 535 CA LEU B 15 2.800 -4.317 -14.404 1.00 25.00 C ATOM 536 C LEU B 15 3.800 -5.063 -15.315 1.00 25.00 C ATOM 537 O LEU B 15 4.727 -4.425 -15.809 1.00 25.00 O ATOM 538 CB LEU B 15 3.079 -4.616 -12.932 1.00 25.00 C ATOM 539 CG LEU B 15 4.414 -4.124 -12.366 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.663 -2.617 -12.545 1.00 25.00 C ATOM 541 CD2 LEU B 15 4.442 -4.461 -10.849 1.00 25.00 C ATOM 0 H LEU B 15 0.942 -5.227 -13.989 1.00 25.00 H new ATOM 0 HA LEU B 15 2.922 -3.248 -14.576 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.277 -4.177 -12.339 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.027 -5.695 -12.789 1.00 25.00 H new ATOM 0 HG LEU B 15 5.203 -4.628 -12.925 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.630 -2.355 -12.116 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.658 -2.371 -13.607 1.00 25.00 H new ATOM 0 HD13 LEU B 15 3.877 -2.056 -12.039 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.384 -4.121 -10.418 1.00 25.00 H new ATOM 0 HD22 LEU B 15 3.613 -3.960 -10.350 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.349 -5.539 -10.714 1.00 25.00 H new ATOM 553 N TYR B 16 3.543 -6.330 -15.587 1.00 25.00 N ATOM 554 CA TYR B 16 4.302 -7.131 -16.543 1.00 25.00 C ATOM 555 C TYR B 16 4.226 -6.555 -17.956 1.00 25.00 C ATOM 556 O TYR B 16 5.232 -6.454 -18.662 1.00 25.00 O ATOM 557 CB TYR B 16 3.766 -8.571 -16.537 1.00 25.00 C ATOM 558 CG TYR B 16 4.190 -9.402 -17.722 1.00 25.00 C ATOM 559 CD1 TYR B 16 5.479 -10.032 -17.752 1.00 25.00 C ATOM 560 CD2 TYR B 16 3.348 -9.518 -18.843 1.00 25.00 C ATOM 561 CE1 TYR B 16 5.884 -10.766 -18.899 1.00 25.00 C ATOM 562 CE2 TYR B 16 3.797 -10.178 -20.014 1.00 25.00 C ATOM 563 CZ TYR B 16 5.038 -10.805 -20.015 1.00 25.00 C ATOM 564 OH TYR B 16 5.403 -11.439 -21.153 1.00 25.00 O ATOM 0 H TYR B 16 2.784 -6.846 -15.142 1.00 25.00 H new ATOM 0 HA TYR B 16 5.349 -7.118 -16.240 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.100 -9.065 -15.625 1.00 25.00 H new ATOM 0 HB3 TYR B 16 2.677 -8.540 -16.503 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.141 -9.948 -16.903 1.00 25.00 H new ATOM 0 HD2 TYR B 16 2.352 -9.101 -18.811 1.00 25.00 H new ATOM 0 HE1 TYR B 16 6.830 -11.286 -18.910 1.00 25.00 H new ATOM 0 HE2 TYR B 16 3.179 -10.194 -20.900 1.00 25.00 H new ATOM 0 HH TYR B 16 4.686 -11.360 -21.816 1.00 25.00 H new ATOM 574 N LEU B 17 3.020 -6.155 -18.391 1.00 25.00 N ATOM 575 CA LEU B 17 2.837 -5.571 -19.723 1.00 25.00 C ATOM 576 C LEU B 17 3.609 -4.289 -19.928 1.00 25.00 C ATOM 577 O LEU B 17 4.171 -4.051 -20.997 1.00 25.00 O ATOM 578 CB LEU B 17 1.335 -5.277 -19.963 1.00 25.00 C ATOM 579 CG LEU B 17 0.536 -6.552 -20.243 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.955 -6.278 -20.256 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.926 -7.245 -21.494 1.00 25.00 C ATOM 0 H LEU B 17 2.164 -6.226 -17.841 1.00 25.00 H new ATOM 0 HA LEU B 17 3.220 -6.305 -20.432 1.00 25.00 H new ATOM 0 HB2 LEU B 17 0.920 -4.775 -19.089 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.230 -4.592 -20.804 1.00 25.00 H new ATOM 0 HG LEU B 17 0.780 -7.224 -19.420 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.493 -7.204 -20.458 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.261 -5.884 -19.287 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.184 -5.549 -21.033 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.314 -8.138 -21.621 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.774 -6.578 -22.342 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.977 -7.530 -21.440 1.00 25.00 H new ATOM 593 N VAL B 18 3.632 -3.427 -18.895 1.00 25.00 N ATOM 594 CA VAL B 18 4.369 -2.179 -19.044 1.00 25.00 C ATOM 595 C VAL B 18 5.887 -2.368 -18.800 1.00 25.00 C ATOM 596 O VAL B 18 6.686 -1.598 -19.370 1.00 25.00 O ATOM 597 CB VAL B 18 3.799 -1.033 -18.159 1.00 25.00 C ATOM 598 CG1 VAL B 18 4.149 -1.225 -16.661 1.00 25.00 C ATOM 599 CG2 VAL B 18 4.234 0.311 -18.643 1.00 25.00 C ATOM 0 H VAL B 18 3.172 -3.567 -17.996 1.00 25.00 H new ATOM 0 HA VAL B 18 4.234 -1.876 -20.082 1.00 25.00 H new ATOM 0 HB VAL B 18 2.714 -1.082 -18.249 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.731 -0.402 -16.081 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.730 -2.167 -16.307 1.00 25.00 H new ATOM 0 HG13 VAL B 18 5.232 -1.241 -16.540 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.815 1.083 -17.998 1.00 25.00 H new ATOM 0 HG22 VAL B 18 5.322 0.371 -18.621 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.883 0.461 -19.664 1.00 25.00 H new ATOM 609 N CYS B 19 6.292 -3.319 -17.974 1.00 25.00 N ATOM 610 CA CYS B 19 7.722 -3.538 -17.706 1.00 25.00 C ATOM 611 C CYS B 19 8.404 -4.363 -18.775 1.00 25.00 C ATOM 612 O CYS B 19 9.567 -4.201 -19.029 1.00 25.00 O ATOM 613 CB CYS B 19 7.945 -4.218 -16.349 1.00 25.00 C ATOM 614 SG CYS B 19 8.847 -3.202 -15.122 1.00 25.00 S ATOM 0 H CYS B 19 5.665 -3.951 -17.477 1.00 25.00 H new ATOM 0 HA CYS B 19 8.167 -2.543 -17.701 1.00 25.00 H new ATOM 0 HB2 CYS B 19 6.976 -4.492 -15.932 1.00 25.00 H new ATOM 0 HB3 CYS B 19 8.496 -5.145 -16.509 1.00 25.00 H new ATOM 619 N GLY B 20 7.658 -5.293 -19.352 1.00 25.00 N ATOM 620 CA GLY B 20 8.246 -6.280 -20.225 1.00 25.00 C ATOM 621 C GLY B 20 8.864 -7.420 -19.428 1.00 25.00 C ATOM 622 O GLY B 20 8.639 -7.512 -18.249 1.00 25.00 O ATOM 0 H GLY B 20 6.649 -5.379 -19.228 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.485 -6.674 -20.898 1.00 25.00 H new ATOM 0 HA3 GLY B 20 9.009 -5.811 -20.846 1.00 25.00 H new ATOM 626 N GLU B 21 9.594 -8.311 -20.081 1.00 25.00 N ATOM 627 CA GLU B 21 10.236 -9.487 -19.428 1.00 25.00 C ATOM 628 C GLU B 21 11.345 -9.147 -18.388 1.00 25.00 C ATOM 629 O GLU B 21 11.914 -10.028 -17.753 1.00 25.00 O ATOM 630 CB GLU B 21 10.874 -10.390 -20.489 1.00 25.00 C ATOM 631 CG GLU B 21 9.893 -11.029 -21.425 1.00 25.00 C ATOM 632 CD GLU B 21 10.567 -11.913 -22.484 1.00 25.00 C ATOM 633 OE1 GLU B 21 11.054 -11.467 -23.488 1.00 25.00 O ATOM 634 OE2 GLU B 21 10.561 -13.172 -22.207 1.00 25.00 O ATOM 0 H GLU B 21 9.770 -8.256 -21.084 1.00 25.00 H new ATOM 0 HA GLU B 21 9.423 -9.974 -18.889 1.00 25.00 H new ATOM 0 HB2 GLU B 21 11.584 -9.802 -21.071 1.00 25.00 H new ATOM 0 HB3 GLU B 21 11.444 -11.173 -19.988 1.00 25.00 H new ATOM 0 HG2 GLU B 21 9.190 -11.631 -20.850 1.00 25.00 H new ATOM 0 HG3 GLU B 21 9.314 -10.251 -21.923 1.00 25.00 H new ATOM 642 N ARG B 22 11.628 -7.869 -18.212 1.00 25.00 N ATOM 643 CA ARG B 22 12.721 -7.388 -17.329 1.00 25.00 C ATOM 644 C ARG B 22 12.435 -7.456 -15.826 1.00 25.00 C ATOM 645 O ARG B 22 13.394 -7.346 -15.042 1.00 25.00 O ATOM 646 CB ARG B 22 13.066 -5.952 -17.667 1.00 25.00 C ATOM 647 CG ARG B 22 13.557 -5.771 -19.097 1.00 25.00 C ATOM 648 CD ARG B 22 12.512 -4.959 -19.883 1.00 25.00 C ATOM 649 NE ARG B 22 12.818 -4.776 -21.307 1.00 25.00 N ATOM 650 CZ ARG B 22 11.943 -4.388 -22.217 1.00 25.00 C ATOM 651 NH1 ARG B 22 10.716 -4.090 -21.918 1.00 25.00 N ATOM 652 NH2 ARG B 22 12.308 -4.300 -23.449 1.00 25.00 N ATOM 0 H ARG B 22 11.114 -7.117 -18.672 1.00 25.00 H new ATOM 0 HA ARG B 22 13.545 -8.075 -17.523 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.186 -5.328 -17.511 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.834 -5.599 -16.979 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.518 -5.256 -19.104 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.713 -6.742 -19.568 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.545 -5.455 -19.794 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.411 -3.978 -19.419 1.00 25.00 H new ATOM 0 HE ARG B 22 13.773 -4.961 -21.615 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.397 -4.152 -20.951 1.00 25.00 H new ATOM 0 HH12 ARG B 22 10.070 -3.794 -22.650 1.00 25.00 H new ATOM 0 HH21 ARG B 22 13.266 -4.529 -23.715 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.639 -4.001 -24.159 1.00 25.00 H new ATOM 666 N GLY B 23 11.217 -7.684 -15.457 1.00 25.00 N ATOM 667 CA GLY B 23 10.895 -7.927 -14.039 1.00 25.00 C ATOM 668 C GLY B 23 10.593 -6.609 -13.381 1.00 25.00 C ATOM 669 O GLY B 23 10.617 -5.593 -14.047 1.00 25.00 O ATOM 0 H GLY B 23 10.418 -7.713 -16.090 1.00 25.00 H new ATOM 0 HA2 GLY B 23 10.039 -8.596 -13.955 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.732 -8.416 -13.540 1.00 25.00 H new ATOM 673 N PHE B 24 10.123 -6.651 -12.137 1.00 25.00 N ATOM 674 CA PHE B 24 9.628 -5.443 -11.439 1.00 25.00 C ATOM 675 C PHE B 24 9.591 -5.676 -9.932 1.00 25.00 C ATOM 676 O PHE B 24 9.864 -6.800 -9.493 1.00 25.00 O ATOM 677 CB PHE B 24 8.235 -5.156 -11.932 1.00 25.00 C ATOM 678 CG PHE B 24 7.381 -6.400 -12.133 1.00 25.00 C ATOM 679 CD1 PHE B 24 6.757 -7.013 -11.028 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.149 -6.901 -13.424 1.00 25.00 C ATOM 681 CE1 PHE B 24 5.937 -8.180 -11.221 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.314 -8.010 -13.620 1.00 25.00 C ATOM 683 CZ PHE B 24 5.688 -8.677 -12.524 1.00 25.00 C ATOM 0 H PHE B 24 10.070 -7.505 -11.581 1.00 25.00 H new ATOM 0 HA PHE B 24 10.292 -4.603 -11.643 1.00 25.00 H new ATOM 0 HB2 PHE B 24 7.737 -4.497 -11.220 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.299 -4.615 -12.876 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.894 -6.607 -10.037 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.618 -6.428 -14.274 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.508 -8.681 -10.366 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.140 -8.368 -14.624 1.00 25.00 H new ATOM 0 HZ PHE B 24 5.047 -9.531 -12.683 1.00 25.00 H new ATOM 693 N PHE B 25 9.363 -4.599 -9.151 1.00 25.00 N ATOM 694 CA PHE B 25 9.425 -4.651 -7.670 1.00 25.00 C ATOM 695 C PHE B 25 8.330 -5.530 -7.048 1.00 25.00 C ATOM 696 O PHE B 25 7.388 -5.940 -7.688 1.00 25.00 O ATOM 697 CB PHE B 25 9.346 -3.243 -7.092 1.00 25.00 C ATOM 698 CG PHE B 25 10.569 -2.810 -6.309 1.00 25.00 C ATOM 699 CD1 PHE B 25 10.682 -3.092 -4.935 1.00 25.00 C ATOM 700 CD2 PHE B 25 11.605 -2.107 -6.925 1.00 25.00 C ATOM 701 CE1 PHE B 25 11.831 -2.654 -4.191 1.00 25.00 C ATOM 702 CE2 PHE B 25 12.740 -1.654 -6.212 1.00 25.00 C ATOM 703 CZ PHE B 25 12.867 -1.916 -4.840 1.00 25.00 C ATOM 0 H PHE B 25 9.133 -3.677 -9.522 1.00 25.00 H new ATOM 0 HA PHE B 25 10.381 -5.109 -7.416 1.00 25.00 H new ATOM 0 HB2 PHE B 25 9.186 -2.538 -7.908 1.00 25.00 H new ATOM 0 HB3 PHE B 25 8.474 -3.181 -6.441 1.00 25.00 H new ATOM 0 HD1 PHE B 25 9.899 -3.642 -4.435 1.00 25.00 H new ATOM 0 HD2 PHE B 25 11.538 -1.901 -7.983 1.00 25.00 H new ATOM 0 HE1 PHE B 25 11.911 -2.884 -3.139 1.00 25.00 H new ATOM 0 HE2 PHE B 25 13.513 -1.103 -6.727 1.00 25.00 H new ATOM 0 HZ PHE B 25 13.727 -1.568 -4.288 1.00 25.00 H new ATOM 713 N TYR B 26 8.449 -5.762 -5.738 1.00 25.00 N ATOM 714 CA TYR B 26 7.521 -6.630 -4.993 1.00 25.00 C ATOM 715 C TYR B 26 7.428 -8.066 -5.545 1.00 25.00 C ATOM 716 O TYR B 26 6.388 -8.504 -6.066 1.00 25.00 O ATOM 717 CB TYR B 26 6.139 -6.000 -4.895 1.00 25.00 C ATOM 718 CG TYR B 26 5.216 -6.721 -3.982 1.00 25.00 C ATOM 719 CD1 TYR B 26 5.414 -6.735 -2.599 1.00 25.00 C ATOM 720 CD2 TYR B 26 4.116 -7.445 -4.482 1.00 25.00 C ATOM 721 CE1 TYR B 26 4.566 -7.446 -1.733 1.00 25.00 C ATOM 722 CE2 TYR B 26 3.256 -8.180 -3.612 1.00 25.00 C ATOM 723 CZ TYR B 26 3.489 -8.151 -2.243 1.00 25.00 C ATOM 724 OH TYR B 26 2.687 -8.826 -1.374 1.00 25.00 O ATOM 0 H TYR B 26 9.187 -5.357 -5.162 1.00 25.00 H new ATOM 0 HA TYR B 26 7.944 -6.719 -3.993 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.243 -4.970 -4.553 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.695 -5.962 -5.890 1.00 25.00 H new ATOM 0 HD1 TYR B 26 6.244 -6.183 -2.183 1.00 25.00 H new ATOM 0 HD2 TYR B 26 3.920 -7.444 -5.544 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.754 -7.443 -0.670 1.00 25.00 H new ATOM 0 HE2 TYR B 26 2.433 -8.753 -4.014 1.00 25.00 H new ATOM 0 HH TYR B 26 1.971 -9.274 -1.871 1.00 25.00 H new ATOM 734 N THR B 27 8.502 -8.801 -5.348 1.00 25.00 N ATOM 735 CA THR B 27 8.578 -10.229 -5.705 1.00 25.00 C ATOM 736 C THR B 27 8.790 -10.976 -4.385 1.00 25.00 C ATOM 737 O THR B 27 9.528 -11.969 -4.325 1.00 25.00 O ATOM 738 CB THR B 27 9.722 -10.405 -6.756 1.00 25.00 C ATOM 739 OG1 THR B 27 9.792 -11.754 -7.236 1.00 25.00 O ATOM 740 CG2 THR B 27 11.094 -9.998 -6.173 1.00 25.00 C ATOM 0 H THR B 27 9.360 -8.436 -4.934 1.00 25.00 H new ATOM 0 HA THR B 27 7.682 -10.632 -6.178 1.00 25.00 H new ATOM 0 HB THR B 27 9.483 -9.745 -7.590 1.00 25.00 H new ATOM 0 HG1 THR B 27 9.752 -12.374 -6.478 1.00 25.00 H new ATOM 0 HG21 THR B 27 11.866 -10.133 -6.931 1.00 25.00 H new ATOM 0 HG22 THR B 27 11.064 -8.952 -5.868 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.321 -10.622 -5.308 1.00 25.00 H new ATOM 748 N LYS B 28 8.187 -10.513 -3.338 1.00 25.00 N ATOM 749 CA LYS B 28 8.273 -11.197 -2.024 1.00 25.00 C ATOM 750 C LYS B 28 7.172 -12.261 -1.873 1.00 25.00 C ATOM 751 O LYS B 28 5.987 -11.925 -1.844 1.00 25.00 O ATOM 752 CB LYS B 28 8.061 -10.174 -0.875 1.00 25.00 C ATOM 753 CG LYS B 28 9.329 -9.557 -0.348 1.00 25.00 C ATOM 754 CD LYS B 28 10.013 -10.426 0.709 1.00 25.00 C ATOM 755 CE LYS B 28 9.323 -10.282 2.100 1.00 25.00 C ATOM 756 NZ LYS B 28 9.975 -11.260 3.024 1.00 25.00 N ATOM 0 H LYS B 28 7.621 -9.664 -3.335 1.00 25.00 H new ATOM 0 HA LYS B 28 9.258 -11.660 -1.973 1.00 25.00 H new ATOM 0 HB2 LYS B 28 7.405 -9.379 -1.230 1.00 25.00 H new ATOM 0 HB3 LYS B 28 7.545 -10.671 -0.054 1.00 25.00 H new ATOM 0 HG2 LYS B 28 10.018 -9.389 -1.176 1.00 25.00 H new ATOM 0 HG3 LYS B 28 9.102 -8.581 0.081 1.00 25.00 H new ATOM 0 HD2 LYS B 28 9.988 -11.470 0.395 1.00 25.00 H new ATOM 0 HD3 LYS B 28 11.062 -10.143 0.791 1.00 25.00 H new ATOM 0 HE2 LYS B 28 9.430 -9.266 2.479 1.00 25.00 H new ATOM 0 HE3 LYS B 28 8.254 -10.482 2.021 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 9.539 -11.192 3.966 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 9.851 -12.224 2.653 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 10.990 -11.045 3.097 1.00 25.00 H new ATOM 770 N PRO B 29 7.505 -13.550 -1.757 1.00 25.00 N ATOM 771 CA PRO B 29 6.423 -14.501 -1.528 1.00 25.00 C ATOM 772 C PRO B 29 5.869 -14.434 -0.084 1.00 25.00 C ATOM 773 O PRO B 29 6.597 -14.536 0.902 1.00 25.00 O ATOM 774 CB PRO B 29 7.069 -15.866 -1.840 1.00 25.00 C ATOM 775 CG PRO B 29 8.495 -15.679 -1.394 1.00 25.00 C ATOM 776 CD PRO B 29 8.836 -14.229 -1.781 1.00 25.00 C ATOM 0 HA PRO B 29 5.552 -14.295 -2.150 1.00 25.00 H new ATOM 0 HB2 PRO B 29 6.580 -16.676 -1.299 1.00 25.00 H new ATOM 0 HB3 PRO B 29 7.007 -16.108 -2.901 1.00 25.00 H new ATOM 0 HG2 PRO B 29 8.599 -15.838 -0.321 1.00 25.00 H new ATOM 0 HG3 PRO B 29 9.161 -16.388 -1.887 1.00 25.00 H new ATOM 0 HD2 PRO B 29 9.532 -13.776 -1.075 1.00 25.00 H new ATOM 0 HD3 PRO B 29 9.299 -14.173 -2.766 1.00 25.00 H new ATOM 784 N THR B 30 4.546 -14.191 0.002 1.00 25.00 N ATOM 785 CA THR B 30 3.875 -14.013 1.312 1.00 25.00 C ATOM 786 C THR B 30 2.904 -15.130 1.712 1.00 25.00 C ATOM 787 O THR B 30 2.835 -15.561 2.836 1.00 25.00 O ATOM 788 CB THR B 30 3.191 -12.595 1.370 1.00 25.00 C ATOM 789 OG1 THR B 30 2.555 -12.415 2.556 1.00 25.00 O ATOM 790 CG2 THR B 30 2.166 -12.410 0.165 1.00 25.00 C ATOM 791 OXT THR B 30 2.336 -15.745 0.759 1.00 25.00 O ATOM 0 H THR B 30 3.926 -14.114 -0.804 1.00 25.00 H new ATOM 0 HA THR B 30 4.663 -14.079 2.063 1.00 25.00 H new ATOM 0 HB THR B 30 3.974 -11.842 1.277 1.00 25.00 H new ATOM 0 HG1 THR B 30 2.138 -11.528 2.572 1.00 25.00 H new ATOM 0 HG21 THR B 30 1.706 -11.424 0.226 1.00 25.00 H new ATOM 0 HG22 THR B 30 2.697 -12.505 -0.782 1.00 25.00 H new ATOM 0 HG23 THR B 30 1.392 -13.175 0.225 1.00 25.00 H new TER 800 THR B 30