USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=13 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 12 SER OG : rot 180:sc= 0.00749 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.444 K(o=0.45,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ 175:sc= -0.271 (180deg=-0.431) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.217 USER MOD Single : A 9 SER OG : rot -121:sc= 0.141 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.66 K(o=1.7,f=-0.11) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : B 1 PHE N :NH3+ 148:sc= 0.221 (180deg=0.0493) USER MOD Single : B 3 ASN : amide:sc= 0.0286 K(o=0.029,f=-3.4!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.562 K(o=0.56,f=-1.9!) 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=-0.0081) USER MOD Single : B 16 TYR OH : rot -36:sc= 0.876 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 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 4.618 0.709 -1.349 1.00 25.00 N ATOM 2 CA GLY A 1 3.185 0.321 -1.051 1.00 25.00 C ATOM 3 C GLY A 1 2.179 1.080 -1.857 1.00 25.00 C ATOM 4 O GLY A 1 0.989 1.026 -1.769 1.00 25.00 O ATOM 0 H1 GLY A 1 5.256 0.208 -0.698 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.851 0.451 -2.329 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.733 1.735 -1.224 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.059 -0.745 -1.239 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.986 0.483 0.008 1.00 25.00 H new ATOM 9 N ILE A 2 2.761 1.748 -2.858 1.00 25.00 N ATOM 10 CA ILE A 2 2.005 2.502 -3.831 1.00 25.00 C ATOM 11 C ILE A 2 1.173 1.473 -4.618 1.00 25.00 C ATOM 12 O ILE A 2 0.123 1.783 -5.096 1.00 25.00 O ATOM 13 CB ILE A 2 2.891 3.369 -4.766 1.00 25.00 C ATOM 14 CG1 ILE A 2 3.976 4.133 -3.957 1.00 25.00 C ATOM 15 CG2 ILE A 2 1.995 4.431 -5.509 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.058 4.825 -4.833 1.00 25.00 C ATOM 0 H ILE A 2 3.770 1.774 -3.006 1.00 25.00 H new ATOM 0 HA ILE A 2 1.369 3.228 -3.325 1.00 25.00 H new ATOM 0 HB ILE A 2 3.375 2.703 -5.480 1.00 25.00 H new ATOM 0 HG12 ILE A 2 3.488 4.887 -3.339 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.466 3.434 -3.279 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.619 5.038 -6.165 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.238 3.917 -6.102 1.00 25.00 H new ATOM 0 HG23 ILE A 2 1.507 5.073 -4.775 1.00 25.00 H new ATOM 0 HD11 ILE A 2 5.775 5.335 -4.190 1.00 25.00 H new ATOM 0 HD12 ILE A 2 5.576 4.075 -5.431 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.582 5.551 -5.493 1.00 25.00 H new ATOM 28 N VAL A 3 1.628 0.243 -4.699 1.00 25.00 N ATOM 29 CA VAL A 3 0.894 -0.810 -5.383 1.00 25.00 C ATOM 30 C VAL A 3 -0.442 -1.084 -4.652 1.00 25.00 C ATOM 31 O VAL A 3 -1.476 -1.248 -5.324 1.00 25.00 O ATOM 32 CB VAL A 3 1.710 -2.167 -5.459 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.920 -2.062 -6.402 1.00 25.00 C ATOM 34 CG2 VAL A 3 2.207 -2.647 -4.034 1.00 25.00 C ATOM 0 H VAL A 3 2.514 -0.060 -4.295 1.00 25.00 H new ATOM 0 HA VAL A 3 0.717 -0.459 -6.400 1.00 25.00 H new ATOM 0 HB VAL A 3 1.014 -2.905 -5.857 1.00 25.00 H new ATOM 0 HG11 VAL A 3 3.449 -3.015 -6.423 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.578 -1.815 -7.407 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.592 -1.281 -6.046 1.00 25.00 H new ATOM 0 HG21 VAL A 3 2.761 -3.580 -4.137 1.00 25.00 H new ATOM 0 HG22 VAL A 3 2.856 -1.886 -3.600 1.00 25.00 H new ATOM 0 HG23 VAL A 3 1.347 -2.805 -3.383 1.00 25.00 H new ATOM 44 N GLU A 4 -0.443 -1.043 -3.335 1.00 25.00 N ATOM 45 CA GLU A 4 -1.663 -1.249 -2.573 1.00 25.00 C ATOM 46 C GLU A 4 -2.501 0.035 -2.639 1.00 25.00 C ATOM 47 O GLU A 4 -3.732 -0.020 -2.559 1.00 25.00 O ATOM 48 CB GLU A 4 -1.342 -1.627 -1.170 1.00 25.00 C ATOM 49 CG GLU A 4 -2.431 -2.232 -0.402 1.00 25.00 C ATOM 50 CD GLU A 4 -2.020 -2.563 1.017 1.00 25.00 C ATOM 51 OE1 GLU A 4 -0.917 -2.546 1.384 1.00 25.00 O ATOM 52 OE2 GLU A 4 -3.022 -2.876 1.802 1.00 25.00 O ATOM 0 H GLU A 4 0.387 -0.869 -2.768 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.240 -2.070 -2.998 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.504 -2.324 -1.185 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.004 -0.735 -0.643 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.281 -1.550 -0.382 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.764 -3.141 -0.903 1.00 25.00 H new ATOM 60 N GLN A 5 -1.856 1.187 -2.791 1.00 25.00 N ATOM 61 CA GLN A 5 -2.564 2.454 -2.892 1.00 25.00 C ATOM 62 C GLN A 5 -3.304 2.458 -4.254 1.00 25.00 C ATOM 63 O GLN A 5 -4.439 2.970 -4.358 1.00 25.00 O ATOM 64 CB GLN A 5 -1.545 3.606 -2.804 1.00 25.00 C ATOM 65 CG GLN A 5 -2.199 4.959 -2.605 1.00 25.00 C ATOM 66 CD GLN A 5 -1.190 6.043 -2.430 1.00 25.00 C ATOM 67 OE1 GLN A 5 -0.009 5.884 -2.737 1.00 25.00 O ATOM 68 NE2 GLN A 5 -1.663 7.202 -1.960 1.00 25.00 N ATOM 0 H GLN A 5 -0.841 1.267 -2.847 1.00 25.00 H new ATOM 0 HA GLN A 5 -3.284 2.583 -2.084 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.859 3.415 -1.979 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.949 3.627 -3.716 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -2.831 5.186 -3.463 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.849 4.923 -1.731 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -2.650 7.289 -1.718 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -1.037 7.999 -1.844 1.00 25.00 H new ATOM 77 N CYS A 6 -2.667 1.894 -5.266 1.00 25.00 N ATOM 78 CA CYS A 6 -3.245 1.781 -6.601 1.00 25.00 C ATOM 79 C CYS A 6 -4.357 0.752 -6.651 1.00 25.00 C ATOM 80 O CYS A 6 -5.349 0.957 -7.285 1.00 25.00 O ATOM 81 CB CYS A 6 -2.160 1.434 -7.618 1.00 25.00 C ATOM 82 SG CYS A 6 -1.722 2.862 -8.701 1.00 25.00 S ATOM 0 H CYS A 6 -1.730 1.499 -5.188 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.680 2.748 -6.853 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.268 1.095 -7.091 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.499 0.604 -8.237 1.00 25.00 H new ATOM 87 N CYS A 7 -4.184 -0.355 -5.935 1.00 25.00 N ATOM 88 CA CYS A 7 -5.152 -1.464 -5.866 1.00 25.00 C ATOM 89 C CYS A 7 -6.562 -1.005 -5.377 1.00 25.00 C ATOM 90 O CYS A 7 -7.571 -1.444 -5.966 1.00 25.00 O ATOM 91 CB CYS A 7 -4.604 -2.507 -4.855 1.00 25.00 C ATOM 92 SG CYS A 7 -5.851 -3.752 -4.326 1.00 25.00 S ATOM 0 H CYS A 7 -3.350 -0.517 -5.371 1.00 25.00 H new ATOM 0 HA CYS A 7 -5.269 -1.874 -6.869 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -3.756 -3.024 -5.304 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -4.230 -1.984 -3.975 1.00 25.00 H new ATOM 97 N THR A 8 -6.635 -0.141 -4.417 1.00 25.00 N ATOM 98 CA THR A 8 -7.914 0.327 -3.875 1.00 25.00 C ATOM 99 C THR A 8 -8.462 1.460 -4.733 1.00 25.00 C ATOM 100 O THR A 8 -9.587 1.919 -4.584 1.00 25.00 O ATOM 101 CB THR A 8 -7.762 0.718 -2.411 1.00 25.00 C ATOM 102 OG1 THR A 8 -9.066 0.974 -1.893 1.00 25.00 O ATOM 103 CG2 THR A 8 -6.909 1.916 -2.257 1.00 25.00 C ATOM 0 H THR A 8 -5.818 0.275 -3.970 1.00 25.00 H new ATOM 0 HA THR A 8 -8.642 -0.483 -3.909 1.00 25.00 H new ATOM 0 HB THR A 8 -7.279 -0.092 -1.865 1.00 25.00 H new ATOM 0 HG1 THR A 8 -9.615 1.400 -2.584 1.00 25.00 H new ATOM 0 HG21 THR A 8 -6.822 2.167 -1.200 1.00 25.00 H new ATOM 0 HG22 THR A 8 -5.919 1.712 -2.664 1.00 25.00 H new ATOM 0 HG23 THR A 8 -7.357 2.753 -2.793 1.00 25.00 H new ATOM 111 N SER A 9 -7.648 1.884 -5.690 1.00 25.00 N ATOM 112 CA SER A 9 -8.003 2.952 -6.631 1.00 25.00 C ATOM 113 C SER A 9 -7.988 2.413 -8.043 1.00 25.00 C ATOM 114 O SER A 9 -8.155 1.200 -8.240 1.00 25.00 O ATOM 115 CB SER A 9 -7.007 4.087 -6.477 1.00 25.00 C ATOM 116 OG SER A 9 -7.512 5.316 -6.958 1.00 25.00 O ATOM 0 H SER A 9 -6.716 1.498 -5.841 1.00 25.00 H new ATOM 0 HA SER A 9 -9.006 3.324 -6.420 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.741 4.193 -5.425 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.091 3.839 -7.014 1.00 25.00 H new ATOM 0 HG SER A 9 -6.926 5.655 -7.667 1.00 25.00 H new ATOM 122 N ILE A 10 -7.809 3.286 -9.008 1.00 25.00 N ATOM 123 CA ILE A 10 -7.650 2.886 -10.431 1.00 25.00 C ATOM 124 C ILE A 10 -6.261 3.411 -10.772 1.00 25.00 C ATOM 125 O ILE A 10 -5.929 4.568 -10.579 1.00 25.00 O ATOM 126 CB ILE A 10 -8.723 3.523 -11.353 1.00 25.00 C ATOM 127 CG1 ILE A 10 -10.097 2.916 -11.065 1.00 25.00 C ATOM 128 CG2 ILE A 10 -8.317 3.284 -12.885 1.00 25.00 C ATOM 129 CD1 ILE A 10 -11.009 3.757 -10.050 1.00 25.00 C ATOM 0 H ILE A 10 -7.766 4.293 -8.854 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.769 1.812 -10.577 1.00 25.00 H new ATOM 0 HB ILE A 10 -8.775 4.594 -11.159 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -10.634 2.807 -12.007 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.957 1.914 -10.659 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -9.070 3.731 -13.535 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -7.349 3.745 -13.081 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.256 2.214 -13.083 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.962 3.247 -9.909 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.499 3.845 -9.091 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -11.187 4.752 -10.459 1.00 25.00 H new ATOM 141 N CYS A 11 -5.403 2.494 -11.190 1.00 25.00 N ATOM 142 CA CYS A 11 -4.028 2.808 -11.480 1.00 25.00 C ATOM 143 C CYS A 11 -3.867 3.145 -12.955 1.00 25.00 C ATOM 144 O CYS A 11 -4.481 2.513 -13.819 1.00 25.00 O ATOM 145 CB CYS A 11 -3.167 1.604 -11.128 1.00 25.00 C ATOM 146 SG CYS A 11 -1.479 2.100 -10.571 1.00 25.00 S ATOM 0 H CYS A 11 -5.648 1.514 -11.335 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.718 3.672 -10.892 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -3.654 1.028 -10.341 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -3.085 0.951 -11.997 1.00 25.00 H new ATOM 151 N SER A 12 -3.030 4.158 -13.220 1.00 25.00 N ATOM 152 CA SER A 12 -2.787 4.559 -14.618 1.00 25.00 C ATOM 153 C SER A 12 -1.509 3.863 -15.091 1.00 25.00 C ATOM 154 O SER A 12 -0.542 3.685 -14.347 1.00 25.00 O ATOM 155 CB SER A 12 -2.664 6.095 -14.686 1.00 25.00 C ATOM 156 OG SER A 12 -1.522 6.636 -14.016 1.00 25.00 O ATOM 0 H SER A 12 -2.526 4.698 -12.517 1.00 25.00 H new ATOM 0 HA SER A 12 -3.609 4.264 -15.270 1.00 25.00 H new ATOM 0 HB2 SER A 12 -2.630 6.397 -15.733 1.00 25.00 H new ATOM 0 HB3 SER A 12 -3.563 6.537 -14.256 1.00 25.00 H new ATOM 0 HG SER A 12 -1.520 7.612 -14.109 1.00 25.00 H new ATOM 162 N LEU A 13 -1.353 3.651 -16.443 1.00 25.00 N ATOM 163 CA LEU A 13 -0.098 3.101 -16.962 1.00 25.00 C ATOM 164 C LEU A 13 1.091 3.979 -16.586 1.00 25.00 C ATOM 165 O LEU A 13 2.283 3.448 -16.284 1.00 25.00 O ATOM 166 CB LEU A 13 -0.122 2.768 -18.439 1.00 25.00 C ATOM 167 CG LEU A 13 -1.240 1.729 -18.795 1.00 25.00 C ATOM 168 CD1 LEU A 13 -1.520 1.778 -20.290 1.00 25.00 C ATOM 169 CD2 LEU A 13 -0.889 0.257 -18.375 1.00 25.00 C ATOM 0 H LEU A 13 -2.063 3.851 -17.148 1.00 25.00 H new ATOM 0 HA LEU A 13 0.024 2.137 -16.468 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -0.281 3.681 -19.013 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.849 2.370 -18.736 1.00 25.00 H new ATOM 0 HG LEU A 13 -2.123 2.013 -18.223 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.297 1.056 -20.538 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -1.853 2.779 -20.565 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -0.610 1.535 -20.839 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.708 -0.406 -18.653 1.00 25.00 H new ATOM 0 HD22 LEU A 13 0.022 -0.059 -18.884 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.736 0.213 -17.297 1.00 25.00 H new ATOM 181 N TYR A 14 1.009 5.307 -16.488 1.00 25.00 N ATOM 182 CA TYR A 14 2.103 6.151 -16.018 1.00 25.00 C ATOM 183 C TYR A 14 2.598 5.685 -14.654 1.00 25.00 C ATOM 184 O TYR A 14 3.757 5.509 -14.388 1.00 25.00 O ATOM 185 CB TYR A 14 1.732 7.658 -15.945 1.00 25.00 C ATOM 186 CG TYR A 14 2.985 8.437 -15.614 1.00 25.00 C ATOM 187 CD1 TYR A 14 3.939 8.644 -16.549 1.00 25.00 C ATOM 188 CD2 TYR A 14 3.144 8.906 -14.337 1.00 25.00 C ATOM 189 CE1 TYR A 14 5.161 9.476 -16.282 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.225 9.603 -13.955 1.00 25.00 C ATOM 191 CZ TYR A 14 5.224 9.914 -14.822 1.00 25.00 C ATOM 192 OH TYR A 14 6.332 10.546 -14.435 1.00 25.00 O ATOM 0 H TYR A 14 0.170 5.831 -16.736 1.00 25.00 H new ATOM 0 HA TYR A 14 2.896 6.048 -16.759 1.00 25.00 H new ATOM 0 HB2 TYR A 14 1.316 7.993 -16.895 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.968 7.825 -15.185 1.00 25.00 H new ATOM 0 HD1 TYR A 14 3.818 8.195 -17.524 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.370 8.707 -13.610 1.00 25.00 H new ATOM 0 HE1 TYR A 14 5.900 9.731 -17.027 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.303 9.927 -12.928 1.00 25.00 H new ATOM 0 HH TYR A 14 6.261 10.779 -13.486 1.00 25.00 H new ATOM 202 N GLN A 15 1.615 5.510 -13.704 1.00 25.00 N ATOM 203 CA GLN A 15 1.947 5.049 -12.341 1.00 25.00 C ATOM 204 C GLN A 15 2.511 3.668 -12.353 1.00 25.00 C ATOM 205 O GLN A 15 3.444 3.411 -11.613 1.00 25.00 O ATOM 206 CB GLN A 15 0.727 5.001 -11.458 1.00 25.00 C ATOM 207 CG GLN A 15 0.147 6.356 -11.061 1.00 25.00 C ATOM 208 CD GLN A 15 -1.163 6.224 -10.304 1.00 25.00 C ATOM 209 OE1 GLN A 15 -2.114 5.683 -10.805 1.00 25.00 O ATOM 210 NE2 GLN A 15 -1.227 6.758 -9.111 1.00 25.00 N ATOM 0 H GLN A 15 0.622 5.680 -13.867 1.00 25.00 H new ATOM 0 HA GLN A 15 2.675 5.765 -11.958 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -0.048 4.430 -11.970 1.00 25.00 H new ATOM 0 HB3 GLN A 15 0.979 4.453 -10.550 1.00 25.00 H new ATOM 0 HG2 GLN A 15 0.869 6.890 -10.443 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -0.013 6.957 -11.956 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -0.405 7.211 -8.710 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -2.098 6.722 -8.582 1.00 25.00 H new ATOM 219 N LEU A 16 1.968 2.752 -13.169 1.00 25.00 N ATOM 220 CA LEU A 16 2.519 1.371 -13.208 1.00 25.00 C ATOM 221 C LEU A 16 4.008 1.365 -13.572 1.00 25.00 C ATOM 222 O LEU A 16 4.790 0.599 -13.025 1.00 25.00 O ATOM 223 CB LEU A 16 1.786 0.503 -14.185 1.00 25.00 C ATOM 224 CG LEU A 16 0.687 -0.348 -13.570 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.672 0.315 -13.911 1.00 25.00 C ATOM 226 CD2 LEU A 16 0.661 -1.799 -14.111 1.00 25.00 C ATOM 0 H LEU A 16 1.178 2.922 -13.792 1.00 25.00 H new ATOM 0 HA LEU A 16 2.389 0.969 -12.203 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.349 1.136 -14.957 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.503 -0.153 -14.678 1.00 25.00 H new ATOM 0 HG LEU A 16 0.875 -0.404 -12.498 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -1.482 -0.275 -13.482 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.699 1.323 -13.498 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -0.792 0.363 -14.993 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.146 -2.352 -13.631 1.00 25.00 H new ATOM 0 HD22 LEU A 16 0.499 -1.783 -15.189 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.612 -2.285 -13.895 1.00 25.00 H new ATOM 238 N GLU A 17 4.428 2.275 -14.420 1.00 25.00 N ATOM 239 CA GLU A 17 5.831 2.326 -14.791 1.00 25.00 C ATOM 240 C GLU A 17 6.757 2.693 -13.691 1.00 25.00 C ATOM 241 O GLU A 17 7.921 2.359 -13.742 1.00 25.00 O ATOM 242 CB GLU A 17 6.027 3.242 -15.983 1.00 25.00 C ATOM 243 CG GLU A 17 5.868 2.502 -17.282 1.00 25.00 C ATOM 244 CD GLU A 17 6.277 3.303 -18.451 1.00 25.00 C ATOM 245 OE1 GLU A 17 6.635 4.433 -18.384 1.00 25.00 O ATOM 246 OE2 GLU A 17 6.190 2.657 -19.531 1.00 25.00 O ATOM 0 H GLU A 17 3.836 2.979 -14.861 1.00 25.00 H new ATOM 0 HA GLU A 17 6.098 1.303 -15.055 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.306 4.058 -15.938 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.019 3.691 -15.938 1.00 25.00 H new ATOM 0 HG2 GLU A 17 6.461 1.588 -17.249 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.826 2.203 -17.399 1.00 25.00 H new ATOM 254 N ASN A 18 6.240 3.282 -12.616 1.00 25.00 N ATOM 255 CA ASN A 18 7.109 3.621 -11.467 1.00 25.00 C ATOM 256 C ASN A 18 7.542 2.380 -10.695 1.00 25.00 C ATOM 257 O ASN A 18 8.499 2.446 -9.944 1.00 25.00 O ATOM 258 CB ASN A 18 6.402 4.620 -10.540 1.00 25.00 C ATOM 259 CG ASN A 18 5.938 4.028 -9.260 1.00 25.00 C ATOM 260 OD1 ASN A 18 6.640 4.079 -8.274 1.00 25.00 O ATOM 261 ND2 ASN A 18 4.749 3.552 -9.228 1.00 25.00 N ATOM 0 H ASN A 18 5.257 3.532 -12.506 1.00 25.00 H new ATOM 0 HA ASN A 18 8.013 4.085 -11.862 1.00 25.00 H new ATOM 0 HB2 ASN A 18 7.082 5.443 -10.323 1.00 25.00 H new ATOM 0 HB3 ASN A 18 5.546 5.044 -11.064 1.00 25.00 H new ATOM 0 HD21 ASN A 18 4.364 3.200 -8.352 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.187 3.525 -10.079 1.00 25.00 H new ATOM 268 N TYR A 19 6.873 1.295 -10.926 1.00 25.00 N ATOM 269 CA TYR A 19 7.305 0.042 -10.309 1.00 25.00 C ATOM 270 C TYR A 19 8.321 -0.644 -11.183 1.00 25.00 C ATOM 271 O TYR A 19 8.921 -1.651 -10.816 1.00 25.00 O ATOM 272 CB TYR A 19 6.089 -0.864 -10.099 1.00 25.00 C ATOM 273 CG TYR A 19 4.911 -0.156 -9.448 1.00 25.00 C ATOM 274 CD1 TYR A 19 5.035 0.382 -8.147 1.00 25.00 C ATOM 275 CD2 TYR A 19 3.714 -0.023 -10.130 1.00 25.00 C ATOM 276 CE1 TYR A 19 3.926 1.007 -7.536 1.00 25.00 C ATOM 277 CE2 TYR A 19 2.629 0.633 -9.540 1.00 25.00 C ATOM 278 CZ TYR A 19 2.721 1.143 -8.230 1.00 25.00 C ATOM 279 OH TYR A 19 1.598 1.744 -7.692 1.00 25.00 O ATOM 0 H TYR A 19 6.045 1.231 -11.518 1.00 25.00 H new ATOM 0 HA TYR A 19 7.767 0.254 -9.345 1.00 25.00 H new ATOM 0 HB2 TYR A 19 5.774 -1.266 -11.062 1.00 25.00 H new ATOM 0 HB3 TYR A 19 6.380 -1.712 -9.480 1.00 25.00 H new ATOM 0 HD1 TYR A 19 5.976 0.315 -7.621 1.00 25.00 H new ATOM 0 HD2 TYR A 19 3.617 -0.429 -11.126 1.00 25.00 H new ATOM 0 HE1 TYR A 19 4.010 1.382 -6.527 1.00 25.00 H new ATOM 0 HE2 TYR A 19 1.710 0.750 -10.095 1.00 25.00 H new ATOM 0 HH TYR A 19 0.872 1.730 -8.351 1.00 25.00 H new ATOM 289 N CYS A 20 8.493 -0.097 -12.397 1.00 25.00 N ATOM 290 CA CYS A 20 9.346 -0.670 -13.425 1.00 25.00 C ATOM 291 C CYS A 20 10.349 0.419 -13.775 1.00 25.00 C ATOM 292 O CYS A 20 10.763 1.213 -12.960 1.00 25.00 O ATOM 293 CB CYS A 20 8.518 -1.071 -14.659 1.00 25.00 C ATOM 294 SG CYS A 20 9.288 -2.386 -15.680 1.00 25.00 S ATOM 0 H CYS A 20 8.033 0.767 -12.686 1.00 25.00 H new ATOM 0 HA CYS A 20 9.843 -1.576 -13.079 1.00 25.00 H new ATOM 0 HB2 CYS A 20 7.535 -1.409 -14.330 1.00 25.00 H new ATOM 0 HB3 CYS A 20 8.360 -0.189 -15.280 1.00 25.00 H new ATOM 299 N ASN A 21 10.808 0.451 -15.036 1.00 25.00 N ATOM 300 CA ASN A 21 11.798 1.458 -15.464 1.00 25.00 C ATOM 301 C ASN A 21 11.231 2.864 -15.397 1.00 25.00 C ATOM 302 O ASN A 21 11.808 3.872 -15.019 1.00 25.00 O ATOM 303 CB ASN A 21 12.315 1.070 -16.893 1.00 25.00 C ATOM 304 CG ASN A 21 13.721 0.522 -16.754 1.00 25.00 C ATOM 305 OD1 ASN A 21 14.018 -0.589 -17.127 1.00 25.00 O ATOM 306 ND2 ASN A 21 14.653 1.357 -16.325 1.00 25.00 N ATOM 307 OXT ASN A 21 10.020 2.936 -15.859 1.00 25.00 O ATOM 0 H ASN A 21 10.517 -0.197 -15.768 1.00 25.00 H new ATOM 0 HA ASN A 21 12.646 1.462 -14.779 1.00 25.00 H new ATOM 0 HB2 ASN A 21 11.660 0.326 -17.345 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.309 1.941 -17.549 1.00 25.00 H new ATOM 0 HD21 ASN A 21 15.630 1.065 -16.307 1.00 25.00 H new ATOM 0 HD22 ASN A 21 14.394 2.293 -16.012 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -8.157 -4.826 -21.276 1.00 25.00 N ATOM 317 CA PHE B 1 -7.979 -3.515 -20.593 1.00 25.00 C ATOM 318 C PHE B 1 -9.241 -2.955 -19.935 1.00 25.00 C ATOM 319 O PHE B 1 -10.271 -2.746 -20.547 1.00 25.00 O ATOM 320 CB PHE B 1 -7.434 -2.402 -21.550 1.00 25.00 C ATOM 321 CG PHE B 1 -6.136 -2.825 -22.219 1.00 25.00 C ATOM 322 CD1 PHE B 1 -4.947 -2.944 -21.466 1.00 25.00 C ATOM 323 CD2 PHE B 1 -6.139 -3.124 -23.571 1.00 25.00 C ATOM 324 CE1 PHE B 1 -3.750 -3.409 -22.037 1.00 25.00 C ATOM 325 CE2 PHE B 1 -4.957 -3.547 -24.180 1.00 25.00 C ATOM 326 CZ PHE B 1 -3.773 -3.705 -23.430 1.00 25.00 C ATOM 0 H1 PHE B 1 -7.517 -4.881 -22.094 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.938 -5.596 -20.612 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.141 -4.918 -21.600 1.00 25.00 H new ATOM 0 HA PHE B 1 -7.254 -3.754 -19.815 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.181 -2.179 -22.312 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -7.271 -1.484 -20.985 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -4.958 -2.670 -20.421 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -7.047 -3.031 -24.148 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.854 -3.536 -21.447 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.949 -3.756 -25.240 1.00 25.00 H new ATOM 0 HZ PHE B 1 -2.874 -4.054 -23.917 1.00 25.00 H new ATOM 337 N VAL B 2 -9.123 -2.715 -18.624 1.00 25.00 N ATOM 338 CA VAL B 2 -10.249 -2.215 -17.802 1.00 25.00 C ATOM 339 C VAL B 2 -10.035 -0.805 -17.221 1.00 25.00 C ATOM 340 O VAL B 2 -8.898 -0.345 -17.052 1.00 25.00 O ATOM 341 CB VAL B 2 -10.536 -3.163 -16.578 1.00 25.00 C ATOM 342 CG1 VAL B 2 -11.010 -4.531 -17.109 1.00 25.00 C ATOM 343 CG2 VAL B 2 -9.257 -3.332 -15.674 1.00 25.00 C ATOM 0 H VAL B 2 -8.259 -2.857 -18.101 1.00 25.00 H new ATOM 0 HA VAL B 2 -11.085 -2.187 -18.501 1.00 25.00 H new ATOM 0 HB VAL B 2 -11.314 -2.719 -15.957 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -11.212 -5.197 -16.270 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.920 -4.399 -17.695 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -10.234 -4.966 -17.738 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -9.487 -3.992 -14.838 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -8.448 -3.763 -16.264 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -8.949 -2.358 -15.294 1.00 25.00 H new ATOM 353 N ASN B 3 -11.140 -0.120 -16.940 1.00 25.00 N ATOM 354 CA ASN B 3 -11.102 1.245 -16.395 1.00 25.00 C ATOM 355 C ASN B 3 -11.405 1.286 -14.903 1.00 25.00 C ATOM 356 O ASN B 3 -11.791 2.308 -14.390 1.00 25.00 O ATOM 357 CB ASN B 3 -12.084 2.180 -17.128 1.00 25.00 C ATOM 358 CG ASN B 3 -13.553 1.898 -16.807 1.00 25.00 C ATOM 359 OD1 ASN B 3 -13.898 0.788 -16.560 1.00 25.00 O ATOM 360 ND2 ASN B 3 -14.389 2.891 -16.760 1.00 25.00 N ATOM 0 H ASN B 3 -12.082 -0.486 -17.080 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.082 1.594 -16.553 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.855 3.213 -16.864 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.931 2.084 -18.203 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -15.363 2.726 -16.507 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -14.071 3.836 -16.976 1.00 25.00 H new ATOM 367 N GLN B 4 -11.417 0.108 -14.251 1.00 25.00 N ATOM 368 CA GLN B 4 -11.762 -0.009 -12.853 1.00 25.00 C ATOM 369 C GLN B 4 -10.521 -0.399 -12.027 1.00 25.00 C ATOM 370 O GLN B 4 -9.366 -0.135 -12.444 1.00 25.00 O ATOM 371 CB GLN B 4 -12.889 -1.051 -12.690 1.00 25.00 C ATOM 372 CG GLN B 4 -13.932 -0.613 -11.687 1.00 25.00 C ATOM 373 CD GLN B 4 -15.178 -1.463 -11.746 1.00 25.00 C ATOM 374 OE1 GLN B 4 -15.109 -2.656 -11.579 1.00 25.00 O ATOM 375 NE2 GLN B 4 -16.315 -0.852 -12.008 1.00 25.00 N ATOM 0 H GLN B 4 -11.185 -0.781 -14.694 1.00 25.00 H new ATOM 0 HA GLN B 4 -12.118 0.952 -12.483 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -13.365 -1.222 -13.655 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -12.460 -2.001 -12.373 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -13.510 -0.661 -10.683 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -14.196 0.428 -11.872 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -16.331 0.159 -12.143 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -17.179 -1.390 -12.076 1.00 25.00 H new ATOM 384 N HIS B 5 -10.725 -0.997 -10.851 1.00 25.00 N ATOM 385 CA HIS B 5 -9.561 -1.362 -10.006 1.00 25.00 C ATOM 386 C HIS B 5 -8.554 -2.297 -10.696 1.00 25.00 C ATOM 387 O HIS B 5 -8.938 -3.206 -11.458 1.00 25.00 O ATOM 388 CB HIS B 5 -10.030 -2.002 -8.710 1.00 25.00 C ATOM 389 CG HIS B 5 -10.937 -1.128 -7.942 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.486 -0.032 -7.222 1.00 25.00 N ATOM 391 CD2 HIS B 5 -12.281 -1.132 -7.761 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.510 0.550 -6.656 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.598 -0.118 -6.919 1.00 25.00 N ATOM 0 H HIS B 5 -11.639 -1.235 -10.465 1.00 25.00 H new ATOM 0 HA HIS B 5 -9.038 -0.426 -9.809 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.539 -2.939 -8.935 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.164 -2.249 -8.097 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.515 0.270 -7.147 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.978 -1.824 -8.210 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.462 1.449 -6.060 1.00 25.00 H new ATOM 402 N LEU B 6 -7.273 -2.140 -10.348 1.00 25.00 N ATOM 403 CA LEU B 6 -6.221 -3.051 -10.799 1.00 25.00 C ATOM 404 C LEU B 6 -5.450 -3.560 -9.597 1.00 25.00 C ATOM 405 O LEU B 6 -4.640 -2.851 -8.983 1.00 25.00 O ATOM 406 CB LEU B 6 -5.241 -2.300 -11.716 1.00 25.00 C ATOM 407 CG LEU B 6 -5.687 -1.964 -13.160 1.00 25.00 C ATOM 408 CD1 LEU B 6 -4.607 -1.234 -13.937 1.00 25.00 C ATOM 409 CD2 LEU B 6 -6.099 -3.217 -13.924 1.00 25.00 C ATOM 0 H LEU B 6 -6.940 -1.384 -9.750 1.00 25.00 H new ATOM 0 HA LEU B 6 -6.677 -3.880 -11.339 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -4.979 -1.363 -11.224 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.328 -2.892 -11.781 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.549 -1.304 -13.065 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -4.965 -1.019 -14.944 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -4.364 -0.299 -13.431 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -3.715 -1.858 -13.995 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -6.406 -2.943 -14.933 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -5.256 -3.906 -13.975 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -6.930 -3.699 -13.410 1.00 25.00 H new ATOM 421 N CYS B 7 -5.817 -4.777 -9.176 1.00 25.00 N ATOM 422 CA CYS B 7 -5.178 -5.438 -8.022 1.00 25.00 C ATOM 423 C CYS B 7 -4.752 -6.886 -8.353 1.00 25.00 C ATOM 424 O CYS B 7 -5.300 -7.522 -9.299 1.00 25.00 O ATOM 425 CB CYS B 7 -6.143 -5.427 -6.828 1.00 25.00 C ATOM 426 SG CYS B 7 -5.361 -5.532 -5.201 1.00 25.00 S ATOM 0 H CYS B 7 -6.554 -5.328 -9.616 1.00 25.00 H new ATOM 0 HA CYS B 7 -4.274 -4.884 -7.771 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -6.736 -4.513 -6.870 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.836 -6.262 -6.934 1.00 25.00 H new HETATM 431 N AIB B 8 -3.837 -7.375 -7.490 1.00 25.00 N HETATM 432 CA AIB B 8 -3.366 -8.796 -7.500 1.00 25.00 C HETATM 433 C AIB B 8 -3.009 -9.245 -8.979 1.00 25.00 C HETATM 434 O AIB B 8 -2.295 -8.536 -9.666 1.00 25.00 O HETATM 435 CB1 AIB B 8 -4.521 -9.632 -6.808 1.00 25.00 C HETATM 436 CB2 AIB B 8 -2.091 -8.919 -6.623 1.00 25.00 C HETATM 0 H AIB B 8 -3.399 -6.807 -6.765 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.242 -10.685 -6.781 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -4.672 -9.271 -5.791 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -5.444 -9.516 -7.375 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -1.745 -9.952 -6.628 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -1.310 -8.273 -7.024 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -2.322 -8.618 -5.601 1.00 25.00 H new ATOM 444 N SER B 9 -3.574 -10.390 -9.497 1.00 25.00 N ATOM 445 CA SER B 9 -3.261 -10.881 -10.877 1.00 25.00 C ATOM 446 C SER B 9 -3.359 -9.795 -11.942 1.00 25.00 C ATOM 447 O SER B 9 -2.515 -9.707 -12.842 1.00 25.00 O ATOM 448 CB SER B 9 -4.197 -11.980 -11.248 1.00 25.00 C ATOM 449 OG SER B 9 -3.802 -12.630 -12.426 1.00 25.00 O ATOM 0 H SER B 9 -4.235 -10.975 -8.986 1.00 25.00 H new ATOM 0 HA SER B 9 -2.228 -11.228 -10.847 1.00 25.00 H new ATOM 0 HB2 SER B 9 -4.248 -12.703 -10.434 1.00 25.00 H new ATOM 0 HB3 SER B 9 -5.200 -11.574 -11.377 1.00 25.00 H new ATOM 0 HG SER B 9 -4.439 -13.344 -12.635 1.00 25.00 H new ATOM 455 N HIS B 10 -4.335 -8.907 -11.857 1.00 25.00 N ATOM 456 CA HIS B 10 -4.496 -7.934 -12.917 1.00 25.00 C ATOM 457 C HIS B 10 -3.380 -6.918 -12.895 1.00 25.00 C ATOM 458 O HIS B 10 -2.948 -6.450 -13.906 1.00 25.00 O ATOM 459 CB HIS B 10 -5.886 -7.266 -12.844 1.00 25.00 C ATOM 460 CG HIS B 10 -6.998 -8.227 -13.107 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.197 -8.853 -14.342 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.969 -8.742 -12.318 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.250 -9.644 -14.245 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.742 -9.584 -13.040 1.00 25.00 N ATOM 0 H HIS B 10 -5.006 -8.841 -11.092 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.436 -8.456 -13.872 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.020 -6.821 -11.858 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -5.933 -6.454 -13.569 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -8.106 -8.515 -11.271 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.645 -10.251 -15.046 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.564 -10.084 -12.702 1.00 25.00 H new ATOM 473 N LEU B 11 -2.952 -6.540 -11.682 1.00 25.00 N ATOM 474 CA LEU B 11 -1.920 -5.483 -11.497 1.00 25.00 C ATOM 475 C LEU B 11 -0.596 -6.088 -11.957 1.00 25.00 C ATOM 476 O LEU B 11 0.149 -5.469 -12.734 1.00 25.00 O ATOM 477 CB LEU B 11 -1.862 -5.103 -10.003 1.00 25.00 C ATOM 478 CG LEU B 11 -0.944 -3.938 -9.567 1.00 25.00 C ATOM 479 CD1 LEU B 11 0.525 -4.247 -9.616 1.00 25.00 C ATOM 480 CD2 LEU B 11 -1.234 -2.635 -10.369 1.00 25.00 C ATOM 0 H LEU B 11 -3.297 -6.943 -10.811 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.142 -4.581 -12.067 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -2.876 -4.862 -9.684 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.556 -5.990 -9.448 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.195 -3.783 -8.518 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.092 -3.373 -9.294 1.00 25.00 H new ATOM 0 HD12 LEU B 11 0.743 -5.085 -8.954 1.00 25.00 H new ATOM 0 HD13 LEU B 11 0.808 -4.507 -10.636 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -0.566 -1.843 -10.030 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -1.071 -2.818 -11.431 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -2.268 -2.331 -10.208 1.00 25.00 H new ATOM 492 N VAL B 12 -0.354 -7.347 -11.560 1.00 25.00 N ATOM 493 CA VAL B 12 0.884 -8.089 -11.951 1.00 25.00 C ATOM 494 C VAL B 12 0.909 -8.279 -13.455 1.00 25.00 C ATOM 495 O VAL B 12 1.967 -8.079 -14.075 1.00 25.00 O ATOM 496 CB VAL B 12 0.947 -9.500 -11.203 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.068 -10.380 -11.668 1.00 25.00 C ATOM 498 CG2 VAL B 12 1.104 -9.280 -9.647 1.00 25.00 C ATOM 0 H VAL B 12 -0.990 -7.883 -10.969 1.00 25.00 H new ATOM 0 HA VAL B 12 1.758 -7.509 -11.654 1.00 25.00 H new ATOM 0 HB VAL B 12 0.011 -10.004 -11.443 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.046 -11.319 -11.115 1.00 25.00 H new ATOM 0 HG12 VAL B 12 1.954 -10.583 -12.733 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.020 -9.879 -11.494 1.00 25.00 H new ATOM 0 HG21 VAL B 12 1.146 -10.247 -9.145 1.00 25.00 H new ATOM 0 HG22 VAL B 12 2.023 -8.728 -9.448 1.00 25.00 H new ATOM 0 HG23 VAL B 12 0.252 -8.713 -9.272 1.00 25.00 H new ATOM 508 N GLU B 13 -0.190 -8.657 -14.038 1.00 25.00 N ATOM 509 CA GLU B 13 -0.167 -8.842 -15.509 1.00 25.00 C ATOM 510 C GLU B 13 0.041 -7.508 -16.228 1.00 25.00 C ATOM 511 O GLU B 13 0.858 -7.417 -17.146 1.00 25.00 O ATOM 512 CB GLU B 13 -1.446 -9.526 -15.987 1.00 25.00 C ATOM 513 CG GLU B 13 -1.489 -9.843 -17.489 1.00 25.00 C ATOM 514 CD GLU B 13 -2.828 -10.446 -17.898 1.00 25.00 C ATOM 515 OE1 GLU B 13 -3.775 -10.546 -17.179 1.00 25.00 O ATOM 516 OE2 GLU B 13 -2.877 -10.743 -19.156 1.00 25.00 O ATOM 0 H GLU B 13 -1.080 -8.841 -13.575 1.00 25.00 H new ATOM 0 HA GLU B 13 0.676 -9.488 -15.755 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.573 -10.455 -15.431 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.295 -8.888 -15.741 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.311 -8.931 -18.059 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.686 -10.537 -17.738 1.00 25.00 H new ATOM 524 N ALA B 14 -0.624 -6.467 -15.781 1.00 25.00 N ATOM 525 CA ALA B 14 -0.466 -5.167 -16.394 1.00 25.00 C ATOM 526 C ALA B 14 1.013 -4.640 -16.318 1.00 25.00 C ATOM 527 O ALA B 14 1.497 -3.956 -17.230 1.00 25.00 O ATOM 528 CB ALA B 14 -1.448 -4.146 -15.752 1.00 25.00 C ATOM 0 H ALA B 14 -1.277 -6.494 -14.998 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.705 -5.278 -17.452 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.319 -3.171 -16.223 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.473 -4.486 -15.898 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.241 -4.064 -14.685 1.00 25.00 H new ATOM 534 N LEU B 15 1.696 -4.998 -15.231 1.00 25.00 N ATOM 535 CA LEU B 15 3.082 -4.564 -14.993 1.00 25.00 C ATOM 536 C LEU B 15 4.081 -5.370 -15.821 1.00 25.00 C ATOM 537 O LEU B 15 4.976 -4.833 -16.427 1.00 25.00 O ATOM 538 CB LEU B 15 3.411 -4.671 -13.532 1.00 25.00 C ATOM 539 CG LEU B 15 4.768 -4.151 -13.011 1.00 25.00 C ATOM 540 CD1 LEU B 15 5.002 -2.726 -13.395 1.00 25.00 C ATOM 541 CD2 LEU B 15 4.837 -4.314 -11.469 1.00 25.00 C ATOM 0 H LEU B 15 1.314 -5.591 -14.494 1.00 25.00 H new ATOM 0 HA LEU B 15 3.162 -3.523 -15.307 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.629 -4.146 -12.983 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.340 -5.724 -13.259 1.00 25.00 H new ATOM 0 HG LEU B 15 5.555 -4.745 -13.474 1.00 25.00 H new ATOM 0 HD11 LEU B 15 5.968 -2.399 -13.009 1.00 25.00 H new ATOM 0 HD12 LEU B 15 4.996 -2.636 -14.481 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.213 -2.102 -12.975 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.797 -3.945 -11.107 1.00 25.00 H new ATOM 0 HD22 LEU B 15 4.031 -3.744 -11.006 1.00 25.00 H new ATOM 0 HD23 LEU B 15 4.731 -5.367 -11.209 1.00 25.00 H new ATOM 553 N TYR B 16 3.802 -6.651 -15.969 1.00 25.00 N ATOM 554 CA TYR B 16 4.566 -7.531 -16.867 1.00 25.00 C ATOM 555 C TYR B 16 4.397 -7.059 -18.295 1.00 25.00 C ATOM 556 O TYR B 16 5.436 -7.000 -19.032 1.00 25.00 O ATOM 557 CB TYR B 16 4.076 -9.002 -16.703 1.00 25.00 C ATOM 558 CG TYR B 16 4.921 -10.001 -17.518 1.00 25.00 C ATOM 559 CD1 TYR B 16 6.277 -10.228 -17.160 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.388 -10.704 -18.625 1.00 25.00 C ATOM 561 CE1 TYR B 16 7.062 -11.104 -17.928 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.161 -11.591 -19.374 1.00 25.00 C ATOM 563 CZ TYR B 16 6.507 -11.784 -19.054 1.00 25.00 C ATOM 564 OH TYR B 16 7.315 -12.619 -19.813 1.00 25.00 O ATOM 0 H TYR B 16 3.043 -7.121 -15.476 1.00 25.00 H new ATOM 0 HA TYR B 16 5.625 -7.493 -16.612 1.00 25.00 H new ATOM 0 HB2 TYR B 16 4.110 -9.277 -15.649 1.00 25.00 H new ATOM 0 HB3 TYR B 16 3.034 -9.072 -17.017 1.00 25.00 H new ATOM 0 HD1 TYR B 16 6.702 -9.729 -16.302 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.354 -10.549 -18.897 1.00 25.00 H new ATOM 0 HE1 TYR B 16 8.097 -11.265 -17.664 1.00 25.00 H new ATOM 0 HE2 TYR B 16 4.719 -12.128 -20.200 1.00 25.00 H new ATOM 0 HH TYR B 16 8.219 -12.243 -19.863 1.00 25.00 H new ATOM 574 N LEU B 17 3.174 -6.715 -18.684 1.00 25.00 N ATOM 575 CA LEU B 17 2.962 -6.224 -20.056 1.00 25.00 C ATOM 576 C LEU B 17 3.678 -4.878 -20.357 1.00 25.00 C ATOM 577 O LEU B 17 4.259 -4.716 -21.450 1.00 25.00 O ATOM 578 CB LEU B 17 1.497 -6.091 -20.403 1.00 25.00 C ATOM 579 CG LEU B 17 0.714 -7.399 -20.611 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.825 -7.119 -20.668 1.00 25.00 C ATOM 581 CD2 LEU B 17 1.118 -8.126 -21.865 1.00 25.00 C ATOM 0 H LEU B 17 2.339 -6.761 -18.101 1.00 25.00 H new ATOM 0 HA LEU B 17 3.413 -6.992 -20.685 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.009 -5.525 -19.609 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.416 -5.497 -21.314 1.00 25.00 H new ATOM 0 HG LEU B 17 0.953 -8.033 -19.757 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.360 -8.057 -20.816 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.146 -6.661 -19.733 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.042 -6.444 -21.496 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.533 -9.041 -21.960 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.936 -7.488 -22.730 1.00 25.00 H new ATOM 0 HD23 LEU B 17 2.178 -8.377 -21.815 1.00 25.00 H new ATOM 593 N VAL B 18 3.584 -3.918 -19.429 1.00 25.00 N ATOM 594 CA VAL B 18 4.210 -2.600 -19.669 1.00 25.00 C ATOM 595 C VAL B 18 5.748 -2.674 -19.576 1.00 25.00 C ATOM 596 O VAL B 18 6.458 -1.912 -20.256 1.00 25.00 O ATOM 597 CB VAL B 18 3.585 -1.460 -18.756 1.00 25.00 C ATOM 598 CG1 VAL B 18 4.114 -1.500 -17.297 1.00 25.00 C ATOM 599 CG2 VAL B 18 3.855 -0.054 -19.337 1.00 25.00 C ATOM 0 H VAL B 18 3.101 -4.015 -18.536 1.00 25.00 H new ATOM 0 HA VAL B 18 3.978 -2.315 -20.695 1.00 25.00 H new ATOM 0 HB VAL B 18 2.513 -1.657 -18.743 1.00 25.00 H new ATOM 0 HG11 VAL B 18 3.652 -0.698 -16.720 1.00 25.00 H new ATOM 0 HG12 VAL B 18 3.866 -2.461 -16.846 1.00 25.00 H new ATOM 0 HG13 VAL B 18 5.196 -1.369 -17.299 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.413 0.700 -18.686 1.00 25.00 H new ATOM 0 HG22 VAL B 18 4.930 0.111 -19.405 1.00 25.00 H new ATOM 0 HG23 VAL B 18 3.413 0.020 -20.330 1.00 25.00 H new ATOM 609 N CYS B 19 6.278 -3.612 -18.745 1.00 25.00 N ATOM 610 CA CYS B 19 7.699 -3.729 -18.658 1.00 25.00 C ATOM 611 C CYS B 19 8.271 -4.479 -19.898 1.00 25.00 C ATOM 612 O CYS B 19 9.395 -4.184 -20.368 1.00 25.00 O ATOM 613 CB CYS B 19 8.119 -4.527 -17.395 1.00 25.00 C ATOM 614 SG CYS B 19 7.783 -3.744 -15.801 1.00 25.00 S ATOM 0 H CYS B 19 5.743 -4.257 -18.163 1.00 25.00 H new ATOM 0 HA CYS B 19 8.095 -2.715 -18.610 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.611 -5.491 -17.416 1.00 25.00 H new ATOM 0 HB3 CYS B 19 9.188 -4.728 -17.458 1.00 25.00 H new ATOM 619 N GLY B 20 7.573 -5.470 -20.370 1.00 25.00 N ATOM 620 CA GLY B 20 8.054 -6.285 -21.456 1.00 25.00 C ATOM 621 C GLY B 20 8.296 -7.673 -20.964 1.00 25.00 C ATOM 622 O GLY B 20 8.036 -7.960 -19.819 1.00 25.00 O ATOM 0 H GLY B 20 6.655 -5.739 -20.016 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.326 -6.297 -22.267 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.975 -5.865 -21.860 1.00 25.00 H new ATOM 626 N GLU B 21 8.774 -8.536 -21.841 1.00 25.00 N ATOM 627 CA GLU B 21 8.862 -9.942 -21.486 1.00 25.00 C ATOM 628 C GLU B 21 9.844 -10.217 -20.381 1.00 25.00 C ATOM 629 O GLU B 21 9.772 -11.186 -19.695 1.00 25.00 O ATOM 630 CB GLU B 21 9.228 -10.746 -22.691 1.00 25.00 C ATOM 631 CG GLU B 21 8.181 -10.666 -23.786 1.00 25.00 C ATOM 632 CD GLU B 21 8.345 -11.717 -24.804 1.00 25.00 C ATOM 633 OE1 GLU B 21 9.393 -12.223 -25.040 1.00 25.00 O ATOM 634 OE2 GLU B 21 7.259 -12.065 -25.362 1.00 25.00 O ATOM 0 H GLU B 21 9.099 -8.300 -22.778 1.00 25.00 H new ATOM 0 HA GLU B 21 7.879 -10.232 -21.115 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.184 -10.395 -23.081 1.00 25.00 H new ATOM 0 HB3 GLU B 21 9.365 -11.787 -22.400 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.189 -10.747 -23.342 1.00 25.00 H new ATOM 0 HG3 GLU B 21 8.236 -9.689 -24.266 1.00 25.00 H new ATOM 642 N ARG B 22 10.800 -9.289 -20.221 1.00 25.00 N ATOM 643 CA ARG B 22 11.788 -9.319 -19.141 1.00 25.00 C ATOM 644 C ARG B 22 11.158 -9.183 -17.764 1.00 25.00 C ATOM 645 O ARG B 22 11.727 -9.616 -16.784 1.00 25.00 O ATOM 646 CB ARG B 22 12.804 -8.213 -19.344 1.00 25.00 C ATOM 647 CG ARG B 22 12.196 -6.798 -19.343 1.00 25.00 C ATOM 648 CD ARG B 22 12.267 -6.190 -20.708 1.00 25.00 C ATOM 649 NE ARG B 22 13.651 -5.983 -21.144 1.00 25.00 N ATOM 650 CZ ARG B 22 14.009 -5.390 -22.286 1.00 25.00 C ATOM 651 NH1 ARG B 22 13.111 -4.970 -23.162 1.00 25.00 N ATOM 652 NH2 ARG B 22 15.280 -5.238 -22.545 1.00 25.00 N ATOM 0 H ARG B 22 10.907 -8.490 -20.846 1.00 25.00 H new ATOM 0 HA ARG B 22 12.274 -10.294 -19.181 1.00 25.00 H new ATOM 0 HB2 ARG B 22 13.556 -8.275 -18.557 1.00 25.00 H new ATOM 0 HB3 ARG B 22 13.319 -8.376 -20.291 1.00 25.00 H new ATOM 0 HG2 ARG B 22 11.158 -6.843 -19.013 1.00 25.00 H new ATOM 0 HG3 ARG B 22 12.729 -6.168 -18.631 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.755 -6.837 -21.420 1.00 25.00 H new ATOM 0 HD3 ARG B 22 11.740 -5.236 -20.708 1.00 25.00 H new ATOM 0 HE ARG B 22 14.395 -6.316 -20.531 1.00 25.00 H new ATOM 0 HH11 ARG B 22 12.117 -5.096 -22.973 1.00 25.00 H new ATOM 0 HH12 ARG B 22 13.413 -4.520 -24.026 1.00 25.00 H new ATOM 0 HH21 ARG B 22 15.979 -5.570 -21.880 1.00 25.00 H new ATOM 0 HH22 ARG B 22 15.574 -4.788 -23.412 1.00 25.00 H new ATOM 666 N GLY B 23 9.966 -8.667 -17.701 1.00 25.00 N ATOM 667 CA GLY B 23 9.281 -8.549 -16.432 1.00 25.00 C ATOM 668 C GLY B 23 9.950 -7.555 -15.528 1.00 25.00 C ATOM 669 O GLY B 23 10.533 -6.590 -15.949 1.00 25.00 O ATOM 0 H GLY B 23 9.443 -8.320 -18.505 1.00 25.00 H new ATOM 0 HA2 GLY B 23 8.248 -8.247 -16.603 1.00 25.00 H new ATOM 0 HA3 GLY B 23 9.251 -9.523 -15.943 1.00 25.00 H new ATOM 673 N PHE B 24 9.749 -7.776 -14.243 1.00 25.00 N ATOM 674 CA PHE B 24 10.223 -6.879 -13.200 1.00 25.00 C ATOM 675 C PHE B 24 10.654 -7.745 -12.035 1.00 25.00 C ATOM 676 O PHE B 24 10.171 -8.889 -11.895 1.00 25.00 O ATOM 677 CB PHE B 24 9.101 -5.950 -12.756 1.00 25.00 C ATOM 678 CG PHE B 24 7.893 -6.675 -12.176 1.00 25.00 C ATOM 679 CD1 PHE B 24 6.880 -7.119 -13.052 1.00 25.00 C ATOM 680 CD2 PHE B 24 7.764 -6.876 -10.789 1.00 25.00 C ATOM 681 CE1 PHE B 24 5.750 -7.795 -12.539 1.00 25.00 C ATOM 682 CE2 PHE B 24 6.624 -7.505 -10.260 1.00 25.00 C ATOM 683 CZ PHE B 24 5.624 -7.985 -11.137 1.00 25.00 C ATOM 0 H PHE B 24 9.248 -8.590 -13.888 1.00 25.00 H new ATOM 0 HA PHE B 24 11.047 -6.266 -13.565 1.00 25.00 H new ATOM 0 HB2 PHE B 24 9.490 -5.257 -12.009 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.779 -5.352 -13.608 1.00 25.00 H new ATOM 0 HD1 PHE B 24 6.968 -6.942 -14.114 1.00 25.00 H new ATOM 0 HD2 PHE B 24 8.548 -6.544 -10.125 1.00 25.00 H new ATOM 0 HE1 PHE B 24 4.987 -8.165 -13.208 1.00 25.00 H new ATOM 0 HE2 PHE B 24 6.513 -7.621 -9.192 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.761 -8.498 -10.739 1.00 25.00 H new ATOM 693 N PHE B 25 11.575 -7.256 -11.226 1.00 25.00 N ATOM 694 CA PHE B 25 12.121 -8.079 -10.179 1.00 25.00 C ATOM 695 C PHE B 25 11.477 -7.826 -8.824 1.00 25.00 C ATOM 696 O PHE B 25 11.285 -6.708 -8.386 1.00 25.00 O ATOM 697 CB PHE B 25 13.652 -7.861 -10.102 1.00 25.00 C ATOM 698 CG PHE B 25 14.391 -8.447 -11.255 1.00 25.00 C ATOM 699 CD1 PHE B 25 14.852 -9.781 -11.185 1.00 25.00 C ATOM 700 CD2 PHE B 25 14.608 -7.702 -12.419 1.00 25.00 C ATOM 701 CE1 PHE B 25 15.530 -10.380 -12.320 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.275 -8.253 -13.533 1.00 25.00 C ATOM 703 CZ PHE B 25 15.733 -9.593 -13.476 1.00 25.00 C ATOM 0 H PHE B 25 11.951 -6.309 -11.276 1.00 25.00 H new ATOM 0 HA PHE B 25 11.901 -9.117 -10.430 1.00 25.00 H new ATOM 0 HB2 PHE B 25 13.857 -6.792 -10.054 1.00 25.00 H new ATOM 0 HB3 PHE B 25 14.028 -8.300 -9.178 1.00 25.00 H new ATOM 0 HD1 PHE B 25 14.699 -10.357 -10.284 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.257 -6.682 -12.466 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.872 -11.404 -12.282 1.00 25.00 H new ATOM 0 HE2 PHE B 25 15.435 -7.659 -14.421 1.00 25.00 H new ATOM 0 HZ PHE B 25 16.244 -10.018 -14.327 1.00 25.00 H new ATOM 713 N TYR B 26 11.227 -8.947 -8.143 1.00 25.00 N ATOM 714 CA TYR B 26 10.664 -8.971 -6.790 1.00 25.00 C ATOM 715 C TYR B 26 11.617 -9.787 -5.901 1.00 25.00 C ATOM 716 O TYR B 26 12.057 -9.313 -4.862 1.00 25.00 O ATOM 717 CB TYR B 26 9.262 -9.578 -6.833 1.00 25.00 C ATOM 718 CG TYR B 26 8.770 -10.048 -5.499 1.00 25.00 C ATOM 719 CD1 TYR B 26 8.448 -9.137 -4.500 1.00 25.00 C ATOM 720 CD2 TYR B 26 8.575 -11.413 -5.242 1.00 25.00 C ATOM 721 CE1 TYR B 26 7.930 -9.581 -3.226 1.00 25.00 C ATOM 722 CE2 TYR B 26 8.053 -11.850 -3.990 1.00 25.00 C ATOM 723 CZ TYR B 26 7.733 -10.924 -3.010 1.00 25.00 C ATOM 724 OH TYR B 26 7.181 -11.365 -1.839 1.00 25.00 O ATOM 0 H TYR B 26 11.412 -9.876 -8.521 1.00 25.00 H new ATOM 0 HA TYR B 26 10.569 -7.966 -6.379 1.00 25.00 H new ATOM 0 HB2 TYR B 26 8.566 -8.837 -7.227 1.00 25.00 H new ATOM 0 HB3 TYR B 26 9.260 -10.418 -7.528 1.00 25.00 H new ATOM 0 HD1 TYR B 26 8.587 -8.081 -4.679 1.00 25.00 H new ATOM 0 HD2 TYR B 26 8.823 -12.140 -6.001 1.00 25.00 H new ATOM 0 HE1 TYR B 26 7.700 -8.865 -2.451 1.00 25.00 H new ATOM 0 HE2 TYR B 26 7.907 -12.904 -3.805 1.00 25.00 H new ATOM 0 HH TYR B 26 7.114 -12.343 -1.857 1.00 25.00 H new ATOM 734 N THR B 27 11.943 -11.002 -6.347 1.00 25.00 N ATOM 735 CA THR B 27 12.895 -11.935 -5.672 1.00 25.00 C ATOM 736 C THR B 27 13.457 -12.833 -6.778 1.00 25.00 C ATOM 737 O THR B 27 12.784 -12.964 -7.828 1.00 25.00 O ATOM 738 CB THR B 27 12.210 -12.838 -4.553 1.00 25.00 C ATOM 739 OG1 THR B 27 13.230 -13.540 -3.844 1.00 25.00 O ATOM 740 CG2 THR B 27 11.235 -13.866 -5.150 1.00 25.00 C ATOM 0 H THR B 27 11.552 -11.389 -7.206 1.00 25.00 H new ATOM 0 HA THR B 27 13.661 -11.356 -5.156 1.00 25.00 H new ATOM 0 HB THR B 27 11.644 -12.180 -3.894 1.00 25.00 H new ATOM 0 HG1 THR B 27 12.821 -14.099 -3.150 1.00 25.00 H new ATOM 0 HG21 THR B 27 10.794 -14.457 -4.348 1.00 25.00 H new ATOM 0 HG22 THR B 27 10.446 -13.346 -5.694 1.00 25.00 H new ATOM 0 HG23 THR B 27 11.773 -14.524 -5.832 1.00 25.00 H new ATOM 748 N LYS B 28 14.602 -13.431 -6.610 1.00 25.00 N ATOM 749 CA LYS B 28 15.188 -14.296 -7.664 1.00 25.00 C ATOM 750 C LYS B 28 15.161 -15.759 -7.223 1.00 25.00 C ATOM 751 O LYS B 28 16.015 -16.198 -6.442 1.00 25.00 O ATOM 752 CB LYS B 28 16.638 -13.887 -7.939 1.00 25.00 C ATOM 753 CG LYS B 28 16.819 -12.495 -8.563 1.00 25.00 C ATOM 754 CD LYS B 28 18.258 -12.221 -9.012 1.00 25.00 C ATOM 755 CE LYS B 28 19.185 -12.083 -7.806 1.00 25.00 C ATOM 756 NZ LYS B 28 20.541 -11.683 -8.292 1.00 25.00 N ATOM 0 H LYS B 28 15.168 -13.353 -5.765 1.00 25.00 H new ATOM 0 HA LYS B 28 14.596 -14.177 -8.572 1.00 25.00 H new ATOM 0 HB2 LYS B 28 17.192 -13.922 -7.001 1.00 25.00 H new ATOM 0 HB3 LYS B 28 17.087 -14.626 -8.602 1.00 25.00 H new ATOM 0 HG2 LYS B 28 16.152 -12.398 -9.420 1.00 25.00 H new ATOM 0 HG3 LYS B 28 16.520 -11.737 -7.839 1.00 25.00 H new ATOM 0 HD2 LYS B 28 18.605 -13.032 -9.652 1.00 25.00 H new ATOM 0 HD3 LYS B 28 18.290 -11.309 -9.608 1.00 25.00 H new ATOM 0 HE2 LYS B 28 18.796 -11.337 -7.113 1.00 25.00 H new ATOM 0 HE3 LYS B 28 19.241 -13.026 -7.262 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 21.185 -11.585 -7.481 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 20.907 -12.411 -8.939 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 20.476 -10.775 -8.794 1.00 25.00 H new ATOM 770 N PRO B 29 14.206 -16.535 -7.709 1.00 25.00 N ATOM 771 CA PRO B 29 14.257 -17.952 -7.347 1.00 25.00 C ATOM 772 C PRO B 29 15.378 -18.739 -8.099 1.00 25.00 C ATOM 773 O PRO B 29 15.174 -19.224 -9.243 1.00 25.00 O ATOM 774 CB PRO B 29 12.863 -18.472 -7.747 1.00 25.00 C ATOM 775 CG PRO B 29 12.490 -17.617 -8.929 1.00 25.00 C ATOM 776 CD PRO B 29 12.995 -16.243 -8.538 1.00 25.00 C ATOM 0 HA PRO B 29 14.494 -18.088 -6.292 1.00 25.00 H new ATOM 0 HB2 PRO B 29 12.890 -19.529 -8.010 1.00 25.00 H new ATOM 0 HB3 PRO B 29 12.146 -18.364 -6.933 1.00 25.00 H new ATOM 0 HG2 PRO B 29 12.959 -17.972 -9.846 1.00 25.00 H new ATOM 0 HG3 PRO B 29 11.414 -17.616 -9.101 1.00 25.00 H new ATOM 0 HD2 PRO B 29 13.244 -15.643 -9.414 1.00 25.00 H new ATOM 0 HD3 PRO B 29 12.247 -15.687 -7.973 1.00 25.00 H new ATOM 784 N THR B 30 16.516 -18.990 -7.456 1.00 25.00 N ATOM 785 CA THR B 30 17.616 -19.819 -8.003 1.00 25.00 C ATOM 786 C THR B 30 18.142 -20.790 -6.981 1.00 25.00 C ATOM 787 O THR B 30 18.277 -20.558 -5.795 1.00 25.00 O ATOM 788 CB THR B 30 18.758 -18.860 -8.449 1.00 25.00 C ATOM 789 OG1 THR B 30 19.181 -18.118 -7.288 1.00 25.00 O ATOM 790 CG2 THR B 30 18.327 -17.848 -9.443 1.00 25.00 C ATOM 791 OXT THR B 30 18.279 -22.010 -7.430 1.00 25.00 O ATOM 0 H THR B 30 16.714 -18.623 -6.525 1.00 25.00 H new ATOM 0 HA THR B 30 17.240 -20.403 -8.843 1.00 25.00 H new ATOM 0 HB THR B 30 19.536 -19.478 -8.897 1.00 25.00 H new ATOM 0 HG1 THR B 30 19.903 -17.504 -7.537 1.00 25.00 H new ATOM 0 HG21 THR B 30 19.174 -17.215 -9.708 1.00 25.00 H new ATOM 0 HG22 THR B 30 17.956 -18.350 -10.336 1.00 25.00 H new ATOM 0 HG23 THR B 30 17.534 -17.234 -9.016 1.00 25.00 H new TER 800 THR B 30