USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=14 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 1 GLY N :NH3+ -168:sc= -0.0275 (180deg=-0.169) USER MOD Set 1.2: B 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= 0.772 K(o=1.7,f=-0.58) USER MOD Set 2.2: A 19 TYR OH : rot -2:sc= 0.889 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.342 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 21 ASN : amide:sc= -0.0522 K(o=-0.052,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 155:sc= 0.238 (180deg=0.0552) USER MOD Single : B 3 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.4) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : B 5 HIS : no HE2:sc= 0.934 K(o=0.93,f=-4.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.048) USER MOD Single : B 16 TYR OH : rot 152:sc= 0 USER MOD Single : B 27 THR OG1 : rot 89:sc= 0.926 USER MOD Single : B 28 LYS NZ :NH3+ -110:sc= 0.341 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -31:sc= 0.777 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.333 -2.169 -1.324 1.00 25.00 N ATOM 2 CA GLY A 1 3.078 -0.717 -1.461 1.00 25.00 C ATOM 3 C GLY A 1 2.317 -0.345 -2.740 1.00 25.00 C ATOM 4 O GLY A 1 1.559 0.575 -2.826 1.00 25.00 O ATOM 0 H1 GLY A 1 3.663 -2.374 -0.359 1.00 25.00 H new ATOM 0 H2 GLY A 1 2.455 -2.695 -1.509 1.00 25.00 H new ATOM 0 H3 GLY A 1 4.061 -2.460 -2.008 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.509 -0.373 -0.597 1.00 25.00 H new ATOM 0 HA3 GLY A 1 4.030 -0.187 -1.447 1.00 25.00 H new ATOM 9 N ILE A 2 2.558 -1.151 -3.776 1.00 25.00 N ATOM 10 CA ILE A 2 1.945 -0.911 -5.113 1.00 25.00 C ATOM 11 C ILE A 2 0.457 -1.306 -5.103 1.00 25.00 C ATOM 12 O ILE A 2 -0.414 -0.571 -5.578 1.00 25.00 O ATOM 13 CB ILE A 2 2.691 -1.736 -6.248 1.00 25.00 C ATOM 14 CG1 ILE A 2 4.207 -1.813 -5.961 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.383 -1.085 -7.645 1.00 25.00 C ATOM 16 CD1 ILE A 2 5.054 -2.510 -7.041 1.00 25.00 C ATOM 0 H ILE A 2 3.164 -1.970 -3.731 1.00 25.00 H new ATOM 0 HA ILE A 2 2.042 0.153 -5.328 1.00 25.00 H new ATOM 0 HB ILE A 2 2.324 -2.762 -6.261 1.00 25.00 H new ATOM 0 HG12 ILE A 2 4.585 -0.800 -5.826 1.00 25.00 H new ATOM 0 HG13 ILE A 2 4.354 -2.336 -5.016 1.00 25.00 H new ATOM 0 HG21 ILE A 2 2.892 -1.647 -8.428 1.00 25.00 H new ATOM 0 HG22 ILE A 2 1.308 -1.103 -7.826 1.00 25.00 H new ATOM 0 HG23 ILE A 2 2.735 -0.053 -7.651 1.00 25.00 H new ATOM 0 HD11 ILE A 2 6.101 -2.509 -6.739 1.00 25.00 H new ATOM 0 HD12 ILE A 2 4.713 -3.538 -7.164 1.00 25.00 H new ATOM 0 HD13 ILE A 2 4.948 -1.978 -7.986 1.00 25.00 H new ATOM 28 N VAL A 3 0.165 -2.425 -4.487 1.00 25.00 N ATOM 29 CA VAL A 3 -1.236 -2.825 -4.284 1.00 25.00 C ATOM 30 C VAL A 3 -1.972 -1.780 -3.429 1.00 25.00 C ATOM 31 O VAL A 3 -3.102 -1.397 -3.723 1.00 25.00 O ATOM 32 CB VAL A 3 -1.328 -4.264 -3.698 1.00 25.00 C ATOM 33 CG1 VAL A 3 -0.770 -4.371 -2.245 1.00 25.00 C ATOM 34 CG2 VAL A 3 -2.728 -4.791 -3.801 1.00 25.00 C ATOM 0 H VAL A 3 0.856 -3.077 -4.116 1.00 25.00 H new ATOM 0 HA VAL A 3 -1.740 -2.858 -5.250 1.00 25.00 H new ATOM 0 HB VAL A 3 -0.681 -4.896 -4.307 1.00 25.00 H new ATOM 0 HG11 VAL A 3 -0.863 -5.399 -1.894 1.00 25.00 H new ATOM 0 HG12 VAL A 3 0.280 -4.078 -2.236 1.00 25.00 H new ATOM 0 HG13 VAL A 3 -1.337 -3.711 -1.588 1.00 25.00 H new ATOM 0 HG21 VAL A 3 -2.769 -5.798 -3.386 1.00 25.00 H new ATOM 0 HG22 VAL A 3 -3.403 -4.141 -3.245 1.00 25.00 H new ATOM 0 HG23 VAL A 3 -3.031 -4.818 -4.848 1.00 25.00 H new ATOM 44 N GLU A 4 -1.291 -1.286 -2.415 1.00 25.00 N ATOM 45 CA GLU A 4 -1.841 -0.251 -1.554 1.00 25.00 C ATOM 46 C GLU A 4 -2.152 1.047 -2.359 1.00 25.00 C ATOM 47 O GLU A 4 -3.185 1.643 -2.170 1.00 25.00 O ATOM 48 CB GLU A 4 -0.874 0.030 -0.434 1.00 25.00 C ATOM 49 CG GLU A 4 -0.681 -1.149 0.484 1.00 25.00 C ATOM 50 CD GLU A 4 0.264 -0.837 1.610 1.00 25.00 C ATOM 51 OE1 GLU A 4 1.080 0.035 1.563 1.00 25.00 O ATOM 52 OE2 GLU A 4 0.201 -1.687 2.627 1.00 25.00 O ATOM 0 H GLU A 4 -0.349 -1.585 -2.163 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.783 -0.604 -1.135 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.089 0.317 -0.856 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.234 0.880 0.145 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.645 -1.452 0.893 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.298 -1.994 -0.087 1.00 25.00 H new ATOM 60 N GLN A 5 -1.272 1.396 -3.291 1.00 25.00 N ATOM 61 CA GLN A 5 -1.451 2.627 -4.076 1.00 25.00 C ATOM 62 C GLN A 5 -2.548 2.486 -5.135 1.00 25.00 C ATOM 63 O GLN A 5 -3.261 3.429 -5.390 1.00 25.00 O ATOM 64 CB GLN A 5 -0.120 2.997 -4.791 1.00 25.00 C ATOM 65 CG GLN A 5 -0.122 4.401 -5.383 1.00 25.00 C ATOM 66 CD GLN A 5 1.221 4.895 -5.836 1.00 25.00 C ATOM 67 OE1 GLN A 5 1.629 4.656 -6.965 1.00 25.00 O ATOM 68 NE2 GLN A 5 1.901 5.590 -4.974 1.00 25.00 N ATOM 0 H GLN A 5 -0.437 0.858 -3.524 1.00 25.00 H new ATOM 0 HA GLN A 5 -1.746 3.409 -3.377 1.00 25.00 H new ATOM 0 HB2 GLN A 5 0.702 2.911 -4.080 1.00 25.00 H new ATOM 0 HB3 GLN A 5 0.070 2.276 -5.586 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -0.806 4.421 -6.231 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -0.516 5.093 -4.639 1.00 25.00 H new ATOM 0 HE21 GLN A 5 1.519 5.763 -4.044 1.00 25.00 H new ATOM 0 HE22 GLN A 5 2.816 5.962 -5.227 1.00 25.00 H new ATOM 77 N CYS A 6 -2.647 1.325 -5.786 1.00 25.00 N ATOM 78 CA CYS A 6 -3.536 1.123 -6.927 1.00 25.00 C ATOM 79 C CYS A 6 -4.942 0.540 -6.622 1.00 25.00 C ATOM 80 O CYS A 6 -5.832 0.661 -7.459 1.00 25.00 O ATOM 81 CB CYS A 6 -2.841 0.172 -7.902 1.00 25.00 C ATOM 82 SG CYS A 6 -1.936 1.097 -9.147 1.00 25.00 S ATOM 0 H CYS A 6 -2.109 0.496 -5.534 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.719 2.122 -7.322 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -2.158 -0.481 -7.358 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -3.580 -0.469 -8.383 1.00 25.00 H new ATOM 87 N CYS A 7 -5.142 -0.110 -5.476 1.00 25.00 N ATOM 88 CA CYS A 7 -6.499 -0.628 -5.147 1.00 25.00 C ATOM 89 C CYS A 7 -7.362 0.495 -4.611 1.00 25.00 C ATOM 90 O CYS A 7 -8.503 0.281 -4.312 1.00 25.00 O ATOM 91 CB CYS A 7 -6.431 -1.746 -4.097 1.00 25.00 C ATOM 92 SG CYS A 7 -5.998 -3.387 -4.765 1.00 25.00 S ATOM 0 H CYS A 7 -4.424 -0.293 -4.775 1.00 25.00 H new ATOM 0 HA CYS A 7 -6.931 -1.033 -6.062 1.00 25.00 H new ATOM 0 HB2 CYS A 7 -5.697 -1.471 -3.339 1.00 25.00 H new ATOM 0 HB3 CYS A 7 -7.396 -1.815 -3.596 1.00 25.00 H new ATOM 97 N THR A 8 -6.795 1.679 -4.536 1.00 25.00 N ATOM 98 CA THR A 8 -7.506 2.881 -4.107 1.00 25.00 C ATOM 99 C THR A 8 -7.238 3.875 -5.207 1.00 25.00 C ATOM 100 O THR A 8 -6.338 3.670 -6.010 1.00 25.00 O ATOM 101 CB THR A 8 -7.042 3.369 -2.753 1.00 25.00 C ATOM 102 OG1 THR A 8 -7.935 4.404 -2.323 1.00 25.00 O ATOM 103 CG2 THR A 8 -5.609 3.848 -2.798 1.00 25.00 C ATOM 0 H THR A 8 -5.817 1.845 -4.772 1.00 25.00 H new ATOM 0 HA THR A 8 -8.573 2.706 -3.966 1.00 25.00 H new ATOM 0 HB THR A 8 -7.063 2.548 -2.037 1.00 25.00 H new ATOM 0 HG1 THR A 8 -7.654 4.735 -1.444 1.00 25.00 H new ATOM 0 HG21 THR A 8 -5.309 4.191 -1.808 1.00 25.00 H new ATOM 0 HG22 THR A 8 -4.961 3.029 -3.110 1.00 25.00 H new ATOM 0 HG23 THR A 8 -5.522 4.670 -3.509 1.00 25.00 H new ATOM 111 N SER A 9 -8.094 4.868 -5.320 1.00 25.00 N ATOM 112 CA SER A 9 -8.078 5.807 -6.447 1.00 25.00 C ATOM 113 C SER A 9 -8.025 5.039 -7.803 1.00 25.00 C ATOM 114 O SER A 9 -8.442 3.884 -7.872 1.00 25.00 O ATOM 115 CB SER A 9 -6.880 6.757 -6.289 1.00 25.00 C ATOM 116 OG SER A 9 -7.048 7.856 -7.186 1.00 25.00 O ATOM 0 H SER A 9 -8.827 5.057 -4.636 1.00 25.00 H new ATOM 0 HA SER A 9 -8.996 6.395 -6.449 1.00 25.00 H new ATOM 0 HB2 SER A 9 -6.814 7.114 -5.261 1.00 25.00 H new ATOM 0 HB3 SER A 9 -5.950 6.232 -6.505 1.00 25.00 H new ATOM 0 HG SER A 9 -6.291 8.472 -7.095 1.00 25.00 H new ATOM 122 N ILE A 10 -7.496 5.662 -8.855 1.00 25.00 N ATOM 123 CA ILE A 10 -7.364 5.020 -10.170 1.00 25.00 C ATOM 124 C ILE A 10 -5.939 4.591 -10.421 1.00 25.00 C ATOM 125 O ILE A 10 -5.043 5.367 -10.205 1.00 25.00 O ATOM 126 CB ILE A 10 -7.818 5.997 -11.282 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.264 6.501 -11.004 1.00 25.00 C ATOM 128 CG2 ILE A 10 -7.767 5.259 -12.660 1.00 25.00 C ATOM 129 CD1 ILE A 10 -10.382 5.457 -11.038 1.00 25.00 C ATOM 0 H ILE A 10 -7.148 6.620 -8.825 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.999 4.134 -10.182 1.00 25.00 H new ATOM 0 HB ILE A 10 -7.151 6.859 -11.299 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -9.274 6.977 -10.023 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -9.500 7.274 -11.736 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -8.085 5.940 -13.449 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -6.748 4.926 -12.857 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -8.432 4.396 -12.635 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -11.337 5.939 -10.828 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -10.418 4.994 -12.024 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -10.189 4.692 -10.285 1.00 25.00 H new ATOM 141 N CYS A 11 -5.775 3.372 -10.904 1.00 25.00 N ATOM 142 CA CYS A 11 -4.458 2.827 -11.188 1.00 25.00 C ATOM 143 C CYS A 11 -4.152 2.969 -12.679 1.00 25.00 C ATOM 144 O CYS A 11 -4.885 2.486 -13.532 1.00 25.00 O ATOM 145 CB CYS A 11 -4.413 1.326 -10.797 1.00 25.00 C ATOM 146 SG CYS A 11 -2.769 0.514 -10.884 1.00 25.00 S ATOM 0 H CYS A 11 -6.545 2.735 -11.109 1.00 25.00 H new ATOM 0 HA CYS A 11 -3.715 3.375 -10.609 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -4.791 1.226 -9.780 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.098 0.782 -11.447 1.00 25.00 H new ATOM 151 N SER A 12 -3.059 3.669 -12.969 1.00 25.00 N ATOM 152 CA SER A 12 -2.759 3.992 -14.355 1.00 25.00 C ATOM 153 C SER A 12 -1.443 3.382 -14.818 1.00 25.00 C ATOM 154 O SER A 12 -0.411 3.516 -14.098 1.00 25.00 O ATOM 155 CB SER A 12 -2.646 5.492 -14.451 1.00 25.00 C ATOM 156 OG SER A 12 -3.789 6.112 -13.935 1.00 25.00 O ATOM 0 H SER A 12 -2.386 4.013 -12.284 1.00 25.00 H new ATOM 0 HA SER A 12 -3.551 3.590 -14.987 1.00 25.00 H new ATOM 0 HB2 SER A 12 -1.766 5.830 -13.904 1.00 25.00 H new ATOM 0 HB3 SER A 12 -2.507 5.785 -15.492 1.00 25.00 H new ATOM 0 HG SER A 12 -3.694 7.085 -14.006 1.00 25.00 H new ATOM 162 N LEU A 13 -1.471 2.807 -16.030 1.00 25.00 N ATOM 163 CA LEU A 13 -0.292 2.170 -16.655 1.00 25.00 C ATOM 164 C LEU A 13 0.831 3.187 -16.714 1.00 25.00 C ATOM 165 O LEU A 13 2.093 2.837 -16.520 1.00 25.00 O ATOM 166 CB LEU A 13 -0.553 1.693 -18.083 1.00 25.00 C ATOM 167 CG LEU A 13 -1.157 0.285 -18.212 1.00 25.00 C ATOM 168 CD1 LEU A 13 -2.520 0.181 -17.463 1.00 25.00 C ATOM 169 CD2 LEU A 13 -1.399 -0.043 -19.702 1.00 25.00 C ATOM 0 H LEU A 13 -2.310 2.768 -16.608 1.00 25.00 H new ATOM 0 HA LEU A 13 -0.041 1.300 -16.048 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -1.224 2.403 -18.567 1.00 25.00 H new ATOM 0 HB3 LEU A 13 0.388 1.717 -18.633 1.00 25.00 H new ATOM 0 HG LEU A 13 -0.452 -0.419 -17.770 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -2.920 -0.827 -17.574 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -2.371 0.398 -16.405 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -3.223 0.899 -17.885 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -1.827 -1.042 -19.790 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -2.088 0.686 -20.128 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -0.452 -0.005 -20.241 1.00 25.00 H new ATOM 181 N TYR A 14 0.608 4.509 -16.981 1.00 25.00 N ATOM 182 CA TYR A 14 1.706 5.471 -17.001 1.00 25.00 C ATOM 183 C TYR A 14 2.510 5.461 -15.708 1.00 25.00 C ATOM 184 O TYR A 14 3.707 5.668 -15.645 1.00 25.00 O ATOM 185 CB TYR A 14 1.121 6.868 -17.354 1.00 25.00 C ATOM 186 CG TYR A 14 2.252 7.764 -17.802 1.00 25.00 C ATOM 187 CD1 TYR A 14 2.670 7.625 -19.088 1.00 25.00 C ATOM 188 CD2 TYR A 14 2.859 8.624 -16.913 1.00 25.00 C ATOM 189 CE1 TYR A 14 3.669 8.381 -19.528 1.00 25.00 C ATOM 190 CE2 TYR A 14 4.019 9.496 -17.351 1.00 25.00 C ATOM 191 CZ TYR A 14 4.386 9.295 -18.815 1.00 25.00 C ATOM 192 OH TYR A 14 5.341 9.986 -19.349 1.00 25.00 O ATOM 0 H TYR A 14 -0.310 4.907 -17.179 1.00 25.00 H new ATOM 0 HA TYR A 14 2.429 5.191 -17.767 1.00 25.00 H new ATOM 0 HB2 TYR A 14 0.375 6.777 -18.143 1.00 25.00 H new ATOM 0 HB3 TYR A 14 0.618 7.298 -16.488 1.00 25.00 H new ATOM 0 HD1 TYR A 14 2.196 6.909 -19.743 1.00 25.00 H new ATOM 0 HD2 TYR A 14 2.505 8.677 -15.894 1.00 25.00 H new ATOM 0 HE1 TYR A 14 3.944 8.258 -20.565 1.00 25.00 H new ATOM 0 HE2 TYR A 14 4.530 10.185 -16.695 1.00 25.00 H new ATOM 0 HH TYR A 14 5.728 10.584 -18.676 1.00 25.00 H new ATOM 202 N GLN A 15 1.797 5.323 -14.546 1.00 25.00 N ATOM 203 CA GLN A 15 2.367 5.315 -13.195 1.00 25.00 C ATOM 204 C GLN A 15 2.990 3.979 -12.836 1.00 25.00 C ATOM 205 O GLN A 15 4.032 3.915 -12.212 1.00 25.00 O ATOM 206 CB GLN A 15 1.302 5.716 -12.174 1.00 25.00 C ATOM 207 CG GLN A 15 1.021 7.205 -12.118 1.00 25.00 C ATOM 208 CD GLN A 15 -0.010 7.567 -10.993 1.00 25.00 C ATOM 209 OE1 GLN A 15 -1.103 8.023 -11.261 1.00 25.00 O ATOM 210 NE2 GLN A 15 0.356 7.328 -9.756 1.00 25.00 N ATOM 0 H GLN A 15 0.783 5.212 -14.544 1.00 25.00 H new ATOM 0 HA GLN A 15 3.174 6.048 -13.175 1.00 25.00 H new ATOM 0 HB2 GLN A 15 0.375 5.192 -12.408 1.00 25.00 H new ATOM 0 HB3 GLN A 15 1.618 5.380 -11.186 1.00 25.00 H new ATOM 0 HG2 GLN A 15 1.952 7.743 -11.943 1.00 25.00 H new ATOM 0 HG3 GLN A 15 0.637 7.538 -13.082 1.00 25.00 H new ATOM 0 HE21 GLN A 15 1.281 6.945 -9.563 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -0.285 7.526 -8.987 1.00 25.00 H new ATOM 219 N LEU A 16 2.413 2.898 -13.353 1.00 25.00 N ATOM 220 CA LEU A 16 3.016 1.563 -13.178 1.00 25.00 C ATOM 221 C LEU A 16 4.371 1.504 -13.837 1.00 25.00 C ATOM 222 O LEU A 16 5.278 0.802 -13.317 1.00 25.00 O ATOM 223 CB LEU A 16 2.102 0.453 -13.712 1.00 25.00 C ATOM 224 CG LEU A 16 0.824 0.174 -12.899 1.00 25.00 C ATOM 225 CD1 LEU A 16 -0.002 -0.853 -13.698 1.00 25.00 C ATOM 226 CD2 LEU A 16 1.035 -0.350 -11.489 1.00 25.00 C ATOM 0 H LEU A 16 1.545 2.909 -13.888 1.00 25.00 H new ATOM 0 HA LEU A 16 3.141 1.395 -12.108 1.00 25.00 H new ATOM 0 HB2 LEU A 16 1.811 0.710 -14.731 1.00 25.00 H new ATOM 0 HB3 LEU A 16 2.680 -0.469 -13.768 1.00 25.00 H new ATOM 0 HG LEU A 16 0.324 1.133 -12.763 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -0.920 -1.081 -13.157 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -0.250 -0.439 -14.675 1.00 25.00 H new ATOM 0 HD13 LEU A 16 0.579 -1.766 -13.827 1.00 25.00 H new ATOM 0 HD21 LEU A 16 0.068 -0.510 -11.012 1.00 25.00 H new ATOM 0 HD22 LEU A 16 1.580 -1.293 -11.529 1.00 25.00 H new ATOM 0 HD23 LEU A 16 1.608 0.376 -10.913 1.00 25.00 H new ATOM 238 N GLU A 17 4.593 2.300 -14.896 1.00 25.00 N ATOM 239 CA GLU A 17 5.915 2.344 -15.490 1.00 25.00 C ATOM 240 C GLU A 17 6.982 2.722 -14.440 1.00 25.00 C ATOM 241 O GLU A 17 8.155 2.351 -14.606 1.00 25.00 O ATOM 242 CB GLU A 17 5.996 3.377 -16.598 1.00 25.00 C ATOM 243 CG GLU A 17 5.345 2.979 -17.928 1.00 25.00 C ATOM 244 CD GLU A 17 5.380 4.083 -18.932 1.00 25.00 C ATOM 245 OE1 GLU A 17 5.235 5.273 -18.665 1.00 25.00 O ATOM 246 OE2 GLU A 17 5.521 3.682 -20.161 1.00 25.00 O ATOM 0 H GLU A 17 3.894 2.898 -15.337 1.00 25.00 H new ATOM 0 HA GLU A 17 6.101 1.347 -15.890 1.00 25.00 H new ATOM 0 HB2 GLU A 17 5.528 4.297 -16.247 1.00 25.00 H new ATOM 0 HB3 GLU A 17 7.046 3.604 -16.782 1.00 25.00 H new ATOM 0 HG2 GLU A 17 5.857 2.107 -18.333 1.00 25.00 H new ATOM 0 HG3 GLU A 17 4.310 2.687 -17.750 1.00 25.00 H new ATOM 254 N ASN A 18 6.615 3.510 -13.436 1.00 25.00 N ATOM 255 CA ASN A 18 7.594 3.998 -12.422 1.00 25.00 C ATOM 256 C ASN A 18 8.179 2.866 -11.573 1.00 25.00 C ATOM 257 O ASN A 18 9.234 3.027 -10.963 1.00 25.00 O ATOM 258 CB ASN A 18 6.972 5.046 -11.492 1.00 25.00 C ATOM 259 CG ASN A 18 6.588 6.329 -12.237 1.00 25.00 C ATOM 260 OD1 ASN A 18 7.302 6.768 -13.142 1.00 25.00 O ATOM 261 ND2 ASN A 18 5.508 6.937 -11.862 1.00 25.00 N ATOM 0 H ASN A 18 5.659 3.833 -13.287 1.00 25.00 H new ATOM 0 HA ASN A 18 8.402 4.453 -12.994 1.00 25.00 H new ATOM 0 HB2 ASN A 18 6.086 4.626 -11.016 1.00 25.00 H new ATOM 0 HB3 ASN A 18 7.677 5.287 -10.697 1.00 25.00 H new ATOM 0 HD21 ASN A 18 5.227 7.805 -12.318 1.00 25.00 H new ATOM 0 HD22 ASN A 18 4.939 6.548 -11.110 1.00 25.00 H new ATOM 268 N TYR A 19 7.526 1.720 -11.538 1.00 25.00 N ATOM 269 CA TYR A 19 8.034 0.614 -10.749 1.00 25.00 C ATOM 270 C TYR A 19 8.844 -0.369 -11.587 1.00 25.00 C ATOM 271 O TYR A 19 9.423 -1.332 -11.059 1.00 25.00 O ATOM 272 CB TYR A 19 6.831 -0.158 -10.138 1.00 25.00 C ATOM 273 CG TYR A 19 6.030 0.678 -9.187 1.00 25.00 C ATOM 274 CD1 TYR A 19 4.961 1.469 -9.649 1.00 25.00 C ATOM 275 CD2 TYR A 19 6.306 0.637 -7.830 1.00 25.00 C ATOM 276 CE1 TYR A 19 4.176 2.208 -8.768 1.00 25.00 C ATOM 277 CE2 TYR A 19 5.540 1.435 -6.926 1.00 25.00 C ATOM 278 CZ TYR A 19 4.474 2.180 -7.388 1.00 25.00 C ATOM 279 OH TYR A 19 3.749 2.919 -6.476 1.00 25.00 O ATOM 0 H TYR A 19 6.657 1.532 -12.038 1.00 25.00 H new ATOM 0 HA TYR A 19 8.685 1.030 -9.980 1.00 25.00 H new ATOM 0 HB2 TYR A 19 6.183 -0.508 -10.942 1.00 25.00 H new ATOM 0 HB3 TYR A 19 7.199 -1.042 -9.617 1.00 25.00 H new ATOM 0 HD1 TYR A 19 4.746 1.503 -10.707 1.00 25.00 H new ATOM 0 HD2 TYR A 19 7.097 0.004 -7.457 1.00 25.00 H new ATOM 0 HE1 TYR A 19 3.348 2.796 -9.136 1.00 25.00 H new ATOM 0 HE2 TYR A 19 5.796 1.455 -5.877 1.00 25.00 H new ATOM 0 HH TYR A 19 3.070 3.446 -6.948 1.00 25.00 H new ATOM 289 N CYS A 20 8.982 -0.047 -12.888 1.00 25.00 N ATOM 290 CA CYS A 20 9.885 -0.815 -13.791 1.00 25.00 C ATOM 291 C CYS A 20 11.334 -0.391 -13.519 1.00 25.00 C ATOM 292 O CYS A 20 12.276 -0.936 -14.051 1.00 25.00 O ATOM 293 CB CYS A 20 9.512 -0.546 -15.253 1.00 25.00 C ATOM 294 SG CYS A 20 10.327 -1.540 -16.552 1.00 25.00 S ATOM 0 H CYS A 20 8.492 0.725 -13.339 1.00 25.00 H new ATOM 0 HA CYS A 20 9.780 -1.883 -13.603 1.00 25.00 H new ATOM 0 HB2 CYS A 20 8.436 -0.687 -15.353 1.00 25.00 H new ATOM 0 HB3 CYS A 20 9.717 0.504 -15.461 1.00 25.00 H new ATOM 299 N ASN A 21 11.535 0.662 -12.655 1.00 25.00 N ATOM 300 CA ASN A 21 12.867 1.170 -12.262 1.00 25.00 C ATOM 301 C ASN A 21 13.861 0.049 -11.878 1.00 25.00 C ATOM 302 O ASN A 21 13.691 -0.784 -11.050 1.00 25.00 O ATOM 303 CB ASN A 21 12.694 2.186 -11.087 1.00 25.00 C ATOM 304 CG ASN A 21 13.915 3.057 -10.825 1.00 25.00 C ATOM 305 OD1 ASN A 21 15.057 2.665 -10.925 1.00 25.00 O ATOM 306 ND2 ASN A 21 13.664 4.293 -10.489 1.00 25.00 N ATOM 307 OXT ASN A 21 14.990 0.121 -12.570 1.00 25.00 O ATOM 0 H ASN A 21 10.766 1.172 -12.220 1.00 25.00 H new ATOM 0 HA ASN A 21 13.303 1.664 -13.130 1.00 25.00 H new ATOM 0 HB2 ASN A 21 11.842 2.831 -11.303 1.00 25.00 H new ATOM 0 HB3 ASN A 21 12.454 1.634 -10.178 1.00 25.00 H new ATOM 0 HD21 ASN A 21 14.433 4.938 -10.308 1.00 25.00 H new ATOM 0 HD22 ASN A 21 12.699 4.613 -10.407 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -7.227 -1.571 -21.925 1.00 25.00 N ATOM 317 CA PHE B 1 -6.657 -1.095 -20.632 1.00 25.00 C ATOM 318 C PHE B 1 -7.676 -0.369 -19.733 1.00 25.00 C ATOM 319 O PHE B 1 -7.863 0.818 -19.772 1.00 25.00 O ATOM 320 CB PHE B 1 -5.466 -0.119 -20.908 1.00 25.00 C ATOM 321 CG PHE B 1 -4.362 -0.705 -21.789 1.00 25.00 C ATOM 322 CD1 PHE B 1 -3.677 -1.890 -21.409 1.00 25.00 C ATOM 323 CD2 PHE B 1 -4.024 -0.082 -22.974 1.00 25.00 C ATOM 324 CE1 PHE B 1 -2.687 -2.396 -22.239 1.00 25.00 C ATOM 325 CE2 PHE B 1 -3.064 -0.609 -23.801 1.00 25.00 C ATOM 326 CZ PHE B 1 -2.378 -1.763 -23.435 1.00 25.00 C ATOM 0 H1 PHE B 1 -6.467 -1.654 -22.630 1.00 25.00 H new ATOM 0 H2 PHE B 1 -7.673 -2.500 -21.787 1.00 25.00 H new ATOM 0 H3 PHE B 1 -7.939 -0.892 -22.262 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.331 -1.990 -20.101 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -5.853 0.783 -21.383 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -5.032 0.184 -19.955 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -3.924 -2.391 -20.485 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -4.523 0.834 -23.254 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -2.153 -3.290 -21.952 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -2.840 -0.126 -24.740 1.00 25.00 H new ATOM 0 HZ PHE B 1 -1.609 -2.164 -24.078 1.00 25.00 H new ATOM 337 N VAL B 2 -8.419 -1.218 -18.977 1.00 25.00 N ATOM 338 CA VAL B 2 -9.493 -0.761 -18.115 1.00 25.00 C ATOM 339 C VAL B 2 -8.993 0.219 -17.047 1.00 25.00 C ATOM 340 O VAL B 2 -7.843 0.137 -16.584 1.00 25.00 O ATOM 341 CB VAL B 2 -10.267 -1.974 -17.472 1.00 25.00 C ATOM 342 CG1 VAL B 2 -9.475 -2.652 -16.354 1.00 25.00 C ATOM 343 CG2 VAL B 2 -11.664 -1.585 -17.011 1.00 25.00 C ATOM 0 H VAL B 2 -8.277 -2.228 -18.961 1.00 25.00 H new ATOM 0 HA VAL B 2 -10.198 -0.215 -18.741 1.00 25.00 H new ATOM 0 HB VAL B 2 -10.383 -2.712 -18.266 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -10.056 -3.480 -15.947 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -8.534 -3.030 -16.753 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -9.270 -1.930 -15.564 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -12.158 -2.453 -16.575 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -11.594 -0.794 -16.264 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -12.242 -1.228 -17.863 1.00 25.00 H new ATOM 353 N ASN B 3 -9.869 1.164 -16.703 1.00 25.00 N ATOM 354 CA ASN B 3 -9.590 2.136 -15.683 1.00 25.00 C ATOM 355 C ASN B 3 -9.864 1.503 -14.301 1.00 25.00 C ATOM 356 O ASN B 3 -9.731 0.294 -14.123 1.00 25.00 O ATOM 357 CB ASN B 3 -10.511 3.328 -15.962 1.00 25.00 C ATOM 358 CG ASN B 3 -9.864 4.672 -15.581 1.00 25.00 C ATOM 359 OD1 ASN B 3 -8.724 4.979 -15.926 1.00 25.00 O ATOM 360 ND2 ASN B 3 -10.645 5.541 -14.899 1.00 25.00 N ATOM 0 H ASN B 3 -10.788 1.264 -17.133 1.00 25.00 H new ATOM 0 HA ASN B 3 -8.551 2.465 -15.686 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -10.773 3.341 -17.020 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -11.440 3.204 -15.405 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -10.291 6.468 -14.663 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -11.588 5.269 -14.621 1.00 25.00 H new ATOM 367 N GLN B 4 -10.381 2.320 -13.381 1.00 25.00 N ATOM 368 CA GLN B 4 -10.862 1.849 -12.078 1.00 25.00 C ATOM 369 C GLN B 4 -9.681 1.340 -11.232 1.00 25.00 C ATOM 370 O GLN B 4 -8.510 1.729 -11.436 1.00 25.00 O ATOM 371 CB GLN B 4 -12.010 0.812 -12.233 1.00 25.00 C ATOM 372 CG GLN B 4 -13.208 1.110 -11.351 1.00 25.00 C ATOM 373 CD GLN B 4 -14.398 0.296 -11.806 1.00 25.00 C ATOM 374 OE1 GLN B 4 -14.308 -0.922 -11.899 1.00 25.00 O ATOM 375 NE2 GLN B 4 -15.531 0.919 -12.026 1.00 25.00 N ATOM 0 H GLN B 4 -10.479 3.326 -13.517 1.00 25.00 H new ATOM 0 HA GLN B 4 -11.303 2.685 -11.536 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -12.331 0.788 -13.274 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -11.629 -0.181 -11.994 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -12.973 0.877 -10.313 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -13.446 2.173 -11.393 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -15.579 1.934 -11.942 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -16.364 0.388 -12.281 1.00 25.00 H new ATOM 384 N HIS B 5 -10.032 0.592 -10.190 1.00 25.00 N ATOM 385 CA HIS B 5 -9.105 0.152 -9.130 1.00 25.00 C ATOM 386 C HIS B 5 -8.489 -1.227 -9.440 1.00 25.00 C ATOM 387 O HIS B 5 -9.112 -2.266 -9.130 1.00 25.00 O ATOM 388 CB HIS B 5 -9.845 0.093 -7.787 1.00 25.00 C ATOM 389 CG HIS B 5 -10.922 1.122 -7.647 1.00 25.00 C ATOM 390 ND1 HIS B 5 -10.657 2.462 -7.423 1.00 25.00 N ATOM 391 CD2 HIS B 5 -12.276 1.050 -7.691 1.00 25.00 C ATOM 392 CE1 HIS B 5 -11.770 3.127 -7.345 1.00 25.00 C ATOM 393 NE2 HIS B 5 -12.781 2.310 -7.501 1.00 25.00 N ATOM 0 H HIS B 5 -10.987 0.263 -10.048 1.00 25.00 H new ATOM 0 HA HIS B 5 -8.293 0.877 -9.079 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -10.284 -0.898 -7.667 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -9.124 0.222 -6.979 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -9.725 2.867 -7.333 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -12.857 0.153 -7.849 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -11.849 4.191 -7.177 1.00 25.00 H new ATOM 402 N LEU B 6 -7.290 -1.254 -10.035 1.00 25.00 N ATOM 403 CA LEU B 6 -6.627 -2.515 -10.350 1.00 25.00 C ATOM 404 C LEU B 6 -6.025 -3.164 -9.095 1.00 25.00 C ATOM 405 O LEU B 6 -5.358 -2.508 -8.293 1.00 25.00 O ATOM 406 CB LEU B 6 -5.519 -2.266 -11.398 1.00 25.00 C ATOM 407 CG LEU B 6 -5.922 -2.305 -12.901 1.00 25.00 C ATOM 408 CD1 LEU B 6 -6.801 -1.078 -13.315 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.709 -2.325 -13.819 1.00 25.00 C ATOM 0 H LEU B 6 -6.766 -0.421 -10.304 1.00 25.00 H new ATOM 0 HA LEU B 6 -7.372 -3.201 -10.754 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -5.078 -1.290 -11.194 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -4.736 -3.008 -11.241 1.00 25.00 H new ATOM 0 HG LEU B 6 -6.494 -3.226 -13.014 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -7.055 -1.153 -14.372 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -7.715 -1.069 -12.722 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -6.245 -0.157 -13.140 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.039 -2.352 -14.857 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -4.111 -1.429 -13.652 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.107 -3.208 -13.607 1.00 25.00 H new ATOM 421 N CYS B 7 -6.323 -4.451 -8.936 1.00 25.00 N ATOM 422 CA CYS B 7 -5.872 -5.203 -7.768 1.00 25.00 C ATOM 423 C CYS B 7 -5.346 -6.568 -8.139 1.00 25.00 C ATOM 424 O CYS B 7 -5.588 -7.067 -9.246 1.00 25.00 O ATOM 425 CB CYS B 7 -7.022 -5.418 -6.770 1.00 25.00 C ATOM 426 SG CYS B 7 -7.572 -3.892 -5.913 1.00 25.00 S ATOM 0 H CYS B 7 -6.874 -4.994 -9.600 1.00 25.00 H new ATOM 0 HA CYS B 7 -5.075 -4.607 -7.322 1.00 25.00 H new ATOM 0 HB2 CYS B 7 -7.871 -5.850 -7.300 1.00 25.00 H new ATOM 0 HB3 CYS B 7 -6.708 -6.147 -6.023 1.00 25.00 H new HETATM 431 N AIB B 8 -4.713 -7.221 -7.143 1.00 25.00 N HETATM 432 CA AIB B 8 -4.134 -8.611 -7.194 1.00 25.00 C HETATM 433 C AIB B 8 -3.443 -8.890 -8.587 1.00 25.00 C HETATM 434 O AIB B 8 -2.681 -8.075 -9.113 1.00 25.00 O HETATM 435 CB1 AIB B 8 -5.291 -9.602 -6.837 1.00 25.00 C HETATM 436 CB2 AIB B 8 -3.048 -8.687 -6.095 1.00 25.00 C HETATM 0 H AIB B 8 -4.577 -6.787 -6.230 1.00 25.00 H new HETATM 0 HB11 AIB B 8 -4.915 -10.625 -6.862 1.00 25.00 H new HETATM 0 HB12 AIB B 8 -5.667 -9.378 -5.839 1.00 25.00 H new HETATM 0 HB13 AIB B 8 -6.098 -9.495 -7.561 1.00 25.00 H new HETATM 0 HB21 AIB B 8 -2.599 -9.680 -6.095 1.00 25.00 H new HETATM 0 HB22 AIB B 8 -2.278 -7.941 -6.292 1.00 25.00 H new HETATM 0 HB23 AIB B 8 -3.500 -8.493 -5.122 1.00 25.00 H new ATOM 444 N SER B 9 -3.802 -10.042 -9.249 1.00 25.00 N ATOM 445 CA SER B 9 -3.171 -10.517 -10.450 1.00 25.00 C ATOM 446 C SER B 9 -3.270 -9.505 -11.586 1.00 25.00 C ATOM 447 O SER B 9 -2.367 -9.366 -12.356 1.00 25.00 O ATOM 448 CB SER B 9 -3.795 -11.846 -10.894 1.00 25.00 C ATOM 449 OG SER B 9 -5.232 -11.791 -10.928 1.00 25.00 O ATOM 0 H SER B 9 -4.555 -10.649 -8.925 1.00 25.00 H new ATOM 0 HA SER B 9 -2.116 -10.665 -10.219 1.00 25.00 H new ATOM 0 HB2 SER B 9 -3.420 -12.108 -11.884 1.00 25.00 H new ATOM 0 HB3 SER B 9 -3.480 -12.638 -10.214 1.00 25.00 H new ATOM 0 HG SER B 9 -5.586 -12.658 -11.218 1.00 25.00 H new ATOM 455 N HIS B 10 -4.367 -8.749 -11.682 1.00 25.00 N ATOM 456 CA HIS B 10 -4.522 -7.758 -12.744 1.00 25.00 C ATOM 457 C HIS B 10 -3.532 -6.606 -12.575 1.00 25.00 C ATOM 458 O HIS B 10 -2.958 -6.161 -13.543 1.00 25.00 O ATOM 459 CB HIS B 10 -5.944 -7.173 -12.703 1.00 25.00 C ATOM 460 CG HIS B 10 -7.017 -8.194 -12.717 1.00 25.00 C ATOM 461 ND1 HIS B 10 -7.300 -9.032 -13.809 1.00 25.00 N ATOM 462 CD2 HIS B 10 -7.926 -8.521 -11.774 1.00 25.00 C ATOM 463 CE1 HIS B 10 -8.327 -9.792 -13.487 1.00 25.00 C ATOM 464 NE2 HIS B 10 -8.700 -9.529 -12.262 1.00 25.00 N ATOM 0 H HIS B 10 -5.157 -8.806 -11.039 1.00 25.00 H new ATOM 0 HA HIS B 10 -4.335 -8.259 -13.694 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -6.049 -6.563 -11.806 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -6.077 -6.509 -13.557 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -8.022 -8.062 -10.801 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -8.790 -10.521 -14.136 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -9.448 -10.002 -11.755 1.00 25.00 H new ATOM 473 N LEU B 11 -3.217 -6.225 -11.353 1.00 25.00 N ATOM 474 CA LEU B 11 -2.221 -5.200 -11.151 1.00 25.00 C ATOM 475 C LEU B 11 -0.835 -5.805 -11.585 1.00 25.00 C ATOM 476 O LEU B 11 -0.078 -5.152 -12.262 1.00 25.00 O ATOM 477 CB LEU B 11 -2.218 -4.744 -9.690 1.00 25.00 C ATOM 478 CG LEU B 11 -1.297 -3.588 -9.258 1.00 25.00 C ATOM 479 CD1 LEU B 11 -1.712 -3.316 -7.789 1.00 25.00 C ATOM 480 CD2 LEU B 11 0.249 -3.918 -9.214 1.00 25.00 C ATOM 0 H LEU B 11 -3.630 -6.604 -10.501 1.00 25.00 H new ATOM 0 HA LEU B 11 -2.435 -4.315 -11.750 1.00 25.00 H new ATOM 0 HB2 LEU B 11 -3.239 -4.461 -9.434 1.00 25.00 H new ATOM 0 HB3 LEU B 11 -1.964 -5.610 -9.078 1.00 25.00 H new ATOM 0 HG LEU B 11 -1.413 -2.777 -9.977 1.00 25.00 H new ATOM 0 HD11 LEU B 11 -1.110 -2.502 -7.385 1.00 25.00 H new ATOM 0 HD12 LEU B 11 -2.766 -3.039 -7.754 1.00 25.00 H new ATOM 0 HD13 LEU B 11 -1.553 -4.215 -7.194 1.00 25.00 H new ATOM 0 HD21 LEU B 11 0.801 -3.033 -8.897 1.00 25.00 H new ATOM 0 HD22 LEU B 11 0.428 -4.729 -8.508 1.00 25.00 H new ATOM 0 HD23 LEU B 11 0.585 -4.220 -10.206 1.00 25.00 H new ATOM 492 N VAL B 12 -0.550 -7.018 -11.186 1.00 25.00 N ATOM 493 CA VAL B 12 0.740 -7.628 -11.467 1.00 25.00 C ATOM 494 C VAL B 12 0.953 -7.732 -12.944 1.00 25.00 C ATOM 495 O VAL B 12 2.025 -7.443 -13.470 1.00 25.00 O ATOM 496 CB VAL B 12 0.818 -9.062 -10.823 1.00 25.00 C ATOM 497 CG1 VAL B 12 2.135 -9.823 -11.175 1.00 25.00 C ATOM 498 CG2 VAL B 12 0.736 -8.951 -9.279 1.00 25.00 C ATOM 0 H VAL B 12 -1.193 -7.612 -10.662 1.00 25.00 H new ATOM 0 HA VAL B 12 1.519 -6.999 -11.036 1.00 25.00 H new ATOM 0 HB VAL B 12 -0.022 -9.623 -11.233 1.00 25.00 H new ATOM 0 HG11 VAL B 12 2.126 -10.804 -10.700 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.208 -9.943 -12.256 1.00 25.00 H new ATOM 0 HG13 VAL B 12 2.992 -9.253 -10.815 1.00 25.00 H new ATOM 0 HG21 VAL B 12 0.790 -9.947 -8.839 1.00 25.00 H new ATOM 0 HG22 VAL B 12 1.566 -8.347 -8.913 1.00 25.00 H new ATOM 0 HG23 VAL B 12 -0.206 -8.481 -8.998 1.00 25.00 H new ATOM 508 N GLU B 13 -0.072 -8.160 -13.642 1.00 25.00 N ATOM 509 CA GLU B 13 0.004 -8.345 -15.085 1.00 25.00 C ATOM 510 C GLU B 13 0.133 -7.037 -15.821 1.00 25.00 C ATOM 511 O GLU B 13 0.862 -6.980 -16.819 1.00 25.00 O ATOM 512 CB GLU B 13 -1.219 -9.092 -15.537 1.00 25.00 C ATOM 513 CG GLU B 13 -1.051 -9.672 -16.959 1.00 25.00 C ATOM 514 CD GLU B 13 -2.073 -10.683 -17.253 1.00 25.00 C ATOM 515 OE1 GLU B 13 -3.268 -10.447 -17.221 1.00 25.00 O ATOM 516 OE2 GLU B 13 -1.578 -11.841 -17.495 1.00 25.00 O ATOM 0 H GLU B 13 -0.979 -8.390 -13.236 1.00 25.00 H new ATOM 0 HA GLU B 13 0.902 -8.918 -15.316 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.428 -9.902 -14.838 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.080 -8.424 -15.518 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.114 -8.867 -17.691 1.00 25.00 H new ATOM 0 HG3 GLU B 13 -0.060 -10.116 -17.057 1.00 25.00 H new ATOM 524 N ALA B 14 -0.504 -5.994 -15.324 1.00 25.00 N ATOM 525 CA ALA B 14 -0.404 -4.696 -15.983 1.00 25.00 C ATOM 526 C ALA B 14 1.018 -4.139 -15.901 1.00 25.00 C ATOM 527 O ALA B 14 1.556 -3.553 -16.811 1.00 25.00 O ATOM 528 CB ALA B 14 -1.428 -3.747 -15.327 1.00 25.00 C ATOM 0 H ALA B 14 -1.085 -6.012 -14.486 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.629 -4.798 -17.045 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.373 -2.768 -15.803 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -2.432 -4.154 -15.449 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -1.204 -3.648 -14.265 1.00 25.00 H new ATOM 534 N LEU B 15 1.634 -4.408 -14.757 1.00 25.00 N ATOM 535 CA LEU B 15 2.993 -3.928 -14.495 1.00 25.00 C ATOM 536 C LEU B 15 3.989 -4.667 -15.386 1.00 25.00 C ATOM 537 O LEU B 15 4.941 -4.052 -15.933 1.00 25.00 O ATOM 538 CB LEU B 15 3.332 -4.105 -12.981 1.00 25.00 C ATOM 539 CG LEU B 15 4.113 -2.972 -12.258 1.00 25.00 C ATOM 540 CD1 LEU B 15 4.377 -3.275 -10.842 1.00 25.00 C ATOM 541 CD2 LEU B 15 5.406 -2.639 -13.030 1.00 25.00 C ATOM 0 H LEU B 15 1.222 -4.951 -13.998 1.00 25.00 H new ATOM 0 HA LEU B 15 3.060 -2.866 -14.733 1.00 25.00 H new ATOM 0 HB2 LEU B 15 2.394 -4.254 -12.447 1.00 25.00 H new ATOM 0 HB3 LEU B 15 3.908 -5.024 -12.876 1.00 25.00 H new ATOM 0 HG LEU B 15 3.478 -2.086 -12.253 1.00 25.00 H new ATOM 0 HD11 LEU B 15 4.925 -2.449 -10.389 1.00 25.00 H new ATOM 0 HD12 LEU B 15 3.432 -3.415 -10.317 1.00 25.00 H new ATOM 0 HD13 LEU B 15 4.970 -4.187 -10.769 1.00 25.00 H new ATOM 0 HD21 LEU B 15 5.944 -1.844 -12.513 1.00 25.00 H new ATOM 0 HD22 LEU B 15 6.036 -3.527 -13.085 1.00 25.00 H new ATOM 0 HD23 LEU B 15 5.153 -2.310 -14.038 1.00 25.00 H new ATOM 553 N TYR B 16 3.725 -5.964 -15.556 1.00 25.00 N ATOM 554 CA TYR B 16 4.461 -6.851 -16.463 1.00 25.00 C ATOM 555 C TYR B 16 4.358 -6.351 -17.886 1.00 25.00 C ATOM 556 O TYR B 16 5.345 -6.323 -18.615 1.00 25.00 O ATOM 557 CB TYR B 16 3.854 -8.262 -16.422 1.00 25.00 C ATOM 558 CG TYR B 16 4.766 -9.356 -16.993 1.00 25.00 C ATOM 559 CD1 TYR B 16 5.719 -10.000 -16.178 1.00 25.00 C ATOM 560 CD2 TYR B 16 4.682 -9.739 -18.371 1.00 25.00 C ATOM 561 CE1 TYR B 16 6.610 -10.966 -16.720 1.00 25.00 C ATOM 562 CE2 TYR B 16 5.547 -10.761 -18.905 1.00 25.00 C ATOM 563 CZ TYR B 16 6.511 -11.332 -18.090 1.00 25.00 C ATOM 564 OH TYR B 16 7.393 -12.216 -18.602 1.00 25.00 O ATOM 0 H TYR B 16 2.975 -6.440 -15.055 1.00 25.00 H new ATOM 0 HA TYR B 16 5.503 -6.870 -16.143 1.00 25.00 H new ATOM 0 HB2 TYR B 16 3.610 -8.511 -15.389 1.00 25.00 H new ATOM 0 HB3 TYR B 16 2.917 -8.259 -16.979 1.00 25.00 H new ATOM 0 HD1 TYR B 16 5.773 -9.756 -15.127 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.963 -9.257 -19.017 1.00 25.00 H new ATOM 0 HE1 TYR B 16 7.361 -11.421 -16.092 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.444 -11.079 -19.932 1.00 25.00 H new ATOM 0 HH TYR B 16 6.977 -12.700 -19.346 1.00 25.00 H new ATOM 574 N LEU B 17 3.162 -5.970 -18.256 1.00 25.00 N ATOM 575 CA LEU B 17 2.922 -5.456 -19.592 1.00 25.00 C ATOM 576 C LEU B 17 3.593 -4.133 -19.926 1.00 25.00 C ATOM 577 O LEU B 17 4.046 -3.947 -21.052 1.00 25.00 O ATOM 578 CB LEU B 17 1.444 -5.290 -19.846 1.00 25.00 C ATOM 579 CG LEU B 17 0.554 -6.533 -20.142 1.00 25.00 C ATOM 580 CD1 LEU B 17 -0.958 -6.095 -20.062 1.00 25.00 C ATOM 581 CD2 LEU B 17 0.868 -7.042 -21.548 1.00 25.00 C ATOM 0 H LEU B 17 2.337 -6.003 -17.657 1.00 25.00 H new ATOM 0 HA LEU B 17 3.372 -6.212 -20.235 1.00 25.00 H new ATOM 0 HB2 LEU B 17 1.021 -4.790 -18.975 1.00 25.00 H new ATOM 0 HB3 LEU B 17 1.336 -4.607 -20.689 1.00 25.00 H new ATOM 0 HG LEU B 17 0.748 -7.325 -19.418 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.597 -6.954 -20.267 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.174 -5.712 -19.065 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -1.151 -5.316 -20.799 1.00 25.00 H new ATOM 0 HD21 LEU B 17 0.250 -7.913 -21.766 1.00 25.00 H new ATOM 0 HD22 LEU B 17 0.658 -6.257 -22.274 1.00 25.00 H new ATOM 0 HD23 LEU B 17 1.920 -7.320 -21.608 1.00 25.00 H new ATOM 593 N VAL B 18 3.733 -3.245 -18.927 1.00 25.00 N ATOM 594 CA VAL B 18 4.429 -1.997 -19.172 1.00 25.00 C ATOM 595 C VAL B 18 5.944 -2.146 -19.078 1.00 25.00 C ATOM 596 O VAL B 18 6.665 -1.316 -19.687 1.00 25.00 O ATOM 597 CB VAL B 18 3.941 -0.769 -18.229 1.00 25.00 C ATOM 598 CG1 VAL B 18 2.462 -0.476 -18.400 1.00 25.00 C ATOM 599 CG2 VAL B 18 4.281 -0.928 -16.730 1.00 25.00 C ATOM 0 H VAL B 18 3.382 -3.372 -17.978 1.00 25.00 H new ATOM 0 HA VAL B 18 4.160 -1.742 -20.197 1.00 25.00 H new ATOM 0 HB VAL B 18 4.522 0.083 -18.583 1.00 25.00 H new ATOM 0 HG11 VAL B 18 2.178 0.352 -17.751 1.00 25.00 H new ATOM 0 HG12 VAL B 18 2.262 -0.209 -19.438 1.00 25.00 H new ATOM 0 HG13 VAL B 18 1.883 -1.360 -18.134 1.00 25.00 H new ATOM 0 HG21 VAL B 18 3.916 -0.060 -16.180 1.00 25.00 H new ATOM 0 HG22 VAL B 18 3.806 -1.829 -16.343 1.00 25.00 H new ATOM 0 HG23 VAL B 18 5.361 -1.007 -16.608 1.00 25.00 H new ATOM 609 N CYS B 19 6.427 -3.061 -18.290 1.00 25.00 N ATOM 610 CA CYS B 19 7.870 -3.197 -18.094 1.00 25.00 C ATOM 611 C CYS B 19 8.466 -4.187 -19.098 1.00 25.00 C ATOM 612 O CYS B 19 9.678 -4.071 -19.486 1.00 25.00 O ATOM 613 CB CYS B 19 8.136 -3.657 -16.641 1.00 25.00 C ATOM 614 SG CYS B 19 9.905 -3.446 -16.133 1.00 25.00 S ATOM 0 H CYS B 19 5.860 -3.729 -17.768 1.00 25.00 H new ATOM 0 HA CYS B 19 8.351 -2.234 -18.263 1.00 25.00 H new ATOM 0 HB2 CYS B 19 7.498 -3.090 -15.963 1.00 25.00 H new ATOM 0 HB3 CYS B 19 7.856 -4.706 -16.540 1.00 25.00 H new ATOM 619 N GLY B 20 7.638 -5.138 -19.509 1.00 25.00 N ATOM 620 CA GLY B 20 8.079 -6.137 -20.499 1.00 25.00 C ATOM 621 C GLY B 20 8.412 -7.423 -19.794 1.00 25.00 C ATOM 622 O GLY B 20 8.376 -7.508 -18.562 1.00 25.00 O ATOM 0 H GLY B 20 6.676 -5.247 -19.187 1.00 25.00 H new ATOM 0 HA2 GLY B 20 7.294 -6.306 -21.236 1.00 25.00 H new ATOM 0 HA3 GLY B 20 8.951 -5.769 -21.040 1.00 25.00 H new ATOM 626 N GLU B 21 8.842 -8.416 -20.588 1.00 25.00 N ATOM 627 CA GLU B 21 9.230 -9.698 -20.043 1.00 25.00 C ATOM 628 C GLU B 21 10.536 -9.631 -19.237 1.00 25.00 C ATOM 629 O GLU B 21 10.885 -10.589 -18.616 1.00 25.00 O ATOM 630 CB GLU B 21 9.363 -10.695 -21.177 1.00 25.00 C ATOM 631 CG GLU B 21 8.009 -11.021 -21.886 1.00 25.00 C ATOM 632 CD GLU B 21 8.190 -11.960 -23.039 1.00 25.00 C ATOM 633 OE1 GLU B 21 9.235 -12.445 -23.376 1.00 25.00 O ATOM 634 OE2 GLU B 21 7.108 -12.186 -23.651 1.00 25.00 O ATOM 0 H GLU B 21 8.925 -8.343 -21.602 1.00 25.00 H new ATOM 0 HA GLU B 21 8.453 -10.014 -19.347 1.00 25.00 H new ATOM 0 HB2 GLU B 21 10.064 -10.303 -21.914 1.00 25.00 H new ATOM 0 HB3 GLU B 21 9.792 -11.619 -20.789 1.00 25.00 H new ATOM 0 HG2 GLU B 21 7.319 -11.461 -21.165 1.00 25.00 H new ATOM 0 HG3 GLU B 21 7.553 -10.096 -22.240 1.00 25.00 H new ATOM 642 N ARG B 22 11.229 -8.497 -19.279 1.00 25.00 N ATOM 643 CA ARG B 22 12.485 -8.333 -18.554 1.00 25.00 C ATOM 644 C ARG B 22 12.232 -8.479 -17.024 1.00 25.00 C ATOM 645 O ARG B 22 13.144 -8.858 -16.313 1.00 25.00 O ATOM 646 CB ARG B 22 13.089 -6.952 -18.798 1.00 25.00 C ATOM 647 CG ARG B 22 13.272 -6.572 -20.224 1.00 25.00 C ATOM 648 CD ARG B 22 12.419 -5.386 -20.560 1.00 25.00 C ATOM 649 NE ARG B 22 12.685 -4.838 -21.902 1.00 25.00 N ATOM 650 CZ ARG B 22 12.047 -3.803 -22.446 1.00 25.00 C ATOM 651 NH1 ARG B 22 11.069 -3.158 -21.835 1.00 25.00 N ATOM 652 NH2 ARG B 22 12.398 -3.392 -23.630 1.00 25.00 N ATOM 0 H ARG B 22 10.941 -7.675 -19.810 1.00 25.00 H new ATOM 0 HA ARG B 22 13.173 -9.099 -18.911 1.00 25.00 H new ATOM 0 HB2 ARG B 22 12.451 -6.207 -18.321 1.00 25.00 H new ATOM 0 HB3 ARG B 22 14.058 -6.907 -18.302 1.00 25.00 H new ATOM 0 HG2 ARG B 22 14.320 -6.340 -20.414 1.00 25.00 H new ATOM 0 HG3 ARG B 22 13.009 -7.411 -20.868 1.00 25.00 H new ATOM 0 HD2 ARG B 22 11.369 -5.672 -20.493 1.00 25.00 H new ATOM 0 HD3 ARG B 22 12.585 -4.606 -19.817 1.00 25.00 H new ATOM 0 HE ARG B 22 13.414 -5.286 -22.457 1.00 25.00 H new ATOM 0 HH11 ARG B 22 10.771 -3.447 -20.903 1.00 25.00 H new ATOM 0 HH12 ARG B 22 10.612 -2.371 -22.295 1.00 25.00 H new ATOM 0 HH21 ARG B 22 13.153 -3.861 -24.130 1.00 25.00 H new ATOM 0 HH22 ARG B 22 11.918 -2.601 -24.058 1.00 25.00 H new ATOM 666 N GLY B 23 11.027 -8.147 -16.558 1.00 25.00 N ATOM 667 CA GLY B 23 10.682 -8.288 -15.156 1.00 25.00 C ATOM 668 C GLY B 23 10.882 -6.995 -14.402 1.00 25.00 C ATOM 669 O GLY B 23 11.530 -6.065 -14.902 1.00 25.00 O ATOM 0 H GLY B 23 10.275 -7.777 -17.140 1.00 25.00 H new ATOM 0 HA2 GLY B 23 9.643 -8.605 -15.066 1.00 25.00 H new ATOM 0 HA3 GLY B 23 11.294 -9.070 -14.707 1.00 25.00 H new ATOM 673 N PHE B 24 10.201 -6.871 -13.272 1.00 25.00 N ATOM 674 CA PHE B 24 10.237 -5.635 -12.510 1.00 25.00 C ATOM 675 C PHE B 24 10.707 -5.889 -11.081 1.00 25.00 C ATOM 676 O PHE B 24 10.965 -7.027 -10.726 1.00 25.00 O ATOM 677 CB PHE B 24 8.881 -4.945 -12.538 1.00 25.00 C ATOM 678 CG PHE B 24 7.720 -5.859 -12.251 1.00 25.00 C ATOM 679 CD1 PHE B 24 7.356 -6.137 -10.922 1.00 25.00 C ATOM 680 CD2 PHE B 24 6.992 -6.402 -13.289 1.00 25.00 C ATOM 681 CE1 PHE B 24 6.230 -6.975 -10.662 1.00 25.00 C ATOM 682 CE2 PHE B 24 5.871 -7.262 -13.053 1.00 25.00 C ATOM 683 CZ PHE B 24 5.516 -7.551 -11.725 1.00 25.00 C ATOM 0 H PHE B 24 9.622 -7.606 -12.866 1.00 25.00 H new ATOM 0 HA PHE B 24 10.959 -4.965 -12.977 1.00 25.00 H new ATOM 0 HB2 PHE B 24 8.882 -4.136 -11.807 1.00 25.00 H new ATOM 0 HB3 PHE B 24 8.737 -4.489 -13.518 1.00 25.00 H new ATOM 0 HD1 PHE B 24 7.924 -5.720 -10.104 1.00 25.00 H new ATOM 0 HD2 PHE B 24 7.274 -6.173 -14.306 1.00 25.00 H new ATOM 0 HE1 PHE B 24 5.926 -7.167 -9.644 1.00 25.00 H new ATOM 0 HE2 PHE B 24 5.311 -7.679 -13.877 1.00 25.00 H new ATOM 0 HZ PHE B 24 4.692 -8.218 -11.521 1.00 25.00 H new ATOM 693 N PHE B 25 10.902 -4.823 -10.329 1.00 25.00 N ATOM 694 CA PHE B 25 11.504 -4.872 -9.012 1.00 25.00 C ATOM 695 C PHE B 25 10.474 -5.280 -7.951 1.00 25.00 C ATOM 696 O PHE B 25 9.432 -5.780 -8.284 1.00 25.00 O ATOM 697 CB PHE B 25 12.113 -3.502 -8.727 1.00 25.00 C ATOM 698 CG PHE B 25 13.500 -3.559 -8.140 1.00 25.00 C ATOM 699 CD1 PHE B 25 13.738 -3.657 -6.751 1.00 25.00 C ATOM 700 CD2 PHE B 25 14.609 -3.545 -8.990 1.00 25.00 C ATOM 701 CE1 PHE B 25 15.027 -3.711 -6.222 1.00 25.00 C ATOM 702 CE2 PHE B 25 15.946 -3.558 -8.463 1.00 25.00 C ATOM 703 CZ PHE B 25 16.154 -3.626 -7.066 1.00 25.00 C ATOM 0 H PHE B 25 10.641 -3.882 -10.622 1.00 25.00 H new ATOM 0 HA PHE B 25 12.287 -5.630 -8.977 1.00 25.00 H new ATOM 0 HB2 PHE B 25 12.145 -2.930 -9.654 1.00 25.00 H new ATOM 0 HB3 PHE B 25 11.461 -2.961 -8.041 1.00 25.00 H new ATOM 0 HD1 PHE B 25 12.895 -3.691 -6.077 1.00 25.00 H new ATOM 0 HD2 PHE B 25 14.459 -3.524 -10.059 1.00 25.00 H new ATOM 0 HE1 PHE B 25 15.164 -3.819 -5.156 1.00 25.00 H new ATOM 0 HE2 PHE B 25 16.791 -3.516 -9.134 1.00 25.00 H new ATOM 0 HZ PHE B 25 17.153 -3.613 -6.655 1.00 25.00 H new ATOM 713 N TYR B 26 10.806 -5.007 -6.684 1.00 25.00 N ATOM 714 CA TYR B 26 9.935 -5.265 -5.497 1.00 25.00 C ATOM 715 C TYR B 26 9.815 -6.757 -5.184 1.00 25.00 C ATOM 716 O TYR B 26 9.258 -7.488 -5.956 1.00 25.00 O ATOM 717 CB TYR B 26 8.535 -4.645 -5.688 1.00 25.00 C ATOM 718 CG TYR B 26 7.684 -4.654 -4.389 1.00 25.00 C ATOM 719 CD1 TYR B 26 7.866 -3.640 -3.419 1.00 25.00 C ATOM 720 CD2 TYR B 26 6.688 -5.619 -4.178 1.00 25.00 C ATOM 721 CE1 TYR B 26 7.031 -3.599 -2.250 1.00 25.00 C ATOM 722 CE2 TYR B 26 5.895 -5.612 -3.017 1.00 25.00 C ATOM 723 CZ TYR B 26 6.065 -4.616 -2.059 1.00 25.00 C ATOM 724 OH TYR B 26 5.291 -4.619 -0.922 1.00 25.00 O ATOM 0 H TYR B 26 11.703 -4.592 -6.434 1.00 25.00 H new ATOM 0 HA TYR B 26 10.417 -4.786 -4.645 1.00 25.00 H new ATOM 0 HB2 TYR B 26 8.643 -3.618 -6.038 1.00 25.00 H new ATOM 0 HB3 TYR B 26 8.005 -5.193 -6.467 1.00 25.00 H new ATOM 0 HD1 TYR B 26 8.635 -2.894 -3.558 1.00 25.00 H new ATOM 0 HD2 TYR B 26 6.527 -6.384 -4.923 1.00 25.00 H new ATOM 0 HE1 TYR B 26 7.139 -2.804 -1.527 1.00 25.00 H new ATOM 0 HE2 TYR B 26 5.152 -6.381 -2.868 1.00 25.00 H new ATOM 0 HH TYR B 26 4.677 -5.383 -0.946 1.00 25.00 H new ATOM 734 N THR B 27 10.361 -7.199 -4.054 1.00 25.00 N ATOM 735 CA THR B 27 10.293 -8.612 -3.635 1.00 25.00 C ATOM 736 C THR B 27 10.729 -9.632 -4.699 1.00 25.00 C ATOM 737 O THR B 27 10.087 -10.668 -4.878 1.00 25.00 O ATOM 738 CB THR B 27 8.894 -9.003 -3.153 1.00 25.00 C ATOM 739 OG1 THR B 27 8.297 -7.839 -2.551 1.00 25.00 O ATOM 740 CG2 THR B 27 8.970 -10.109 -2.082 1.00 25.00 C ATOM 0 H THR B 27 10.862 -6.598 -3.400 1.00 25.00 H new ATOM 0 HA THR B 27 11.014 -8.660 -2.819 1.00 25.00 H new ATOM 0 HB THR B 27 8.312 -9.370 -3.999 1.00 25.00 H new ATOM 0 HG1 THR B 27 7.832 -7.318 -3.238 1.00 25.00 H new ATOM 0 HG21 THR B 27 7.963 -10.369 -1.756 1.00 25.00 H new ATOM 0 HG22 THR B 27 9.454 -10.990 -2.503 1.00 25.00 H new ATOM 0 HG23 THR B 27 9.547 -9.751 -1.229 1.00 25.00 H new ATOM 748 N LYS B 28 11.856 -9.413 -5.347 1.00 25.00 N ATOM 749 CA LYS B 28 12.355 -10.403 -6.335 1.00 25.00 C ATOM 750 C LYS B 28 13.047 -11.586 -5.586 1.00 25.00 C ATOM 751 O LYS B 28 13.933 -11.319 -4.760 1.00 25.00 O ATOM 752 CB LYS B 28 13.385 -9.738 -7.227 1.00 25.00 C ATOM 753 CG LYS B 28 12.826 -8.686 -8.201 1.00 25.00 C ATOM 754 CD LYS B 28 13.895 -8.085 -9.138 1.00 25.00 C ATOM 755 CE LYS B 28 14.960 -7.254 -8.389 1.00 25.00 C ATOM 756 NZ LYS B 28 16.028 -6.858 -9.385 1.00 25.00 N ATOM 0 H LYS B 28 12.444 -8.588 -5.227 1.00 25.00 H new ATOM 0 HA LYS B 28 11.518 -10.773 -6.927 1.00 25.00 H new ATOM 0 HB2 LYS B 28 14.136 -9.263 -6.596 1.00 25.00 H new ATOM 0 HB3 LYS B 28 13.895 -10.509 -7.804 1.00 25.00 H new ATOM 0 HG2 LYS B 28 12.041 -9.142 -8.804 1.00 25.00 H new ATOM 0 HG3 LYS B 28 12.363 -7.882 -7.629 1.00 25.00 H new ATOM 0 HD2 LYS B 28 14.388 -8.891 -9.681 1.00 25.00 H new ATOM 0 HD3 LYS B 28 13.406 -7.454 -9.880 1.00 25.00 H new ATOM 0 HE2 LYS B 28 14.508 -6.368 -7.942 1.00 25.00 H new ATOM 0 HE3 LYS B 28 15.394 -7.835 -7.575 1.00 25.00 H new ATOM 0 HZ1 LYS B 28 16.905 -7.377 -9.178 1.00 25.00 H new ATOM 0 HZ2 LYS B 28 15.708 -7.089 -10.347 1.00 25.00 H new ATOM 0 HZ3 LYS B 28 16.206 -5.836 -9.315 1.00 25.00 H new ATOM 770 N PRO B 29 12.619 -12.834 -5.791 1.00 25.00 N ATOM 771 CA PRO B 29 13.306 -13.873 -4.993 1.00 25.00 C ATOM 772 C PRO B 29 14.706 -14.166 -5.535 1.00 25.00 C ATOM 773 O PRO B 29 14.930 -14.742 -6.614 1.00 25.00 O ATOM 774 CB PRO B 29 12.372 -15.120 -5.169 1.00 25.00 C ATOM 775 CG PRO B 29 11.038 -14.528 -5.653 1.00 25.00 C ATOM 776 CD PRO B 29 11.557 -13.450 -6.589 1.00 25.00 C ATOM 0 HA PRO B 29 13.456 -13.579 -3.954 1.00 25.00 H new ATOM 0 HB2 PRO B 29 12.781 -15.825 -5.893 1.00 25.00 H new ATOM 0 HB3 PRO B 29 12.250 -15.662 -4.231 1.00 25.00 H new ATOM 0 HG2 PRO B 29 10.417 -15.262 -6.166 1.00 25.00 H new ATOM 0 HG3 PRO B 29 10.442 -14.120 -4.837 1.00 25.00 H new ATOM 0 HD2 PRO B 29 11.938 -13.868 -7.521 1.00 25.00 H new ATOM 0 HD3 PRO B 29 10.780 -12.733 -6.856 1.00 25.00 H new ATOM 784 N THR B 30 15.713 -13.700 -4.761 1.00 25.00 N ATOM 785 CA THR B 30 17.116 -13.902 -5.086 1.00 25.00 C ATOM 786 C THR B 30 17.981 -13.587 -3.865 1.00 25.00 C ATOM 787 O THR B 30 17.539 -13.155 -2.833 1.00 25.00 O ATOM 788 CB THR B 30 17.548 -13.029 -6.312 1.00 25.00 C ATOM 789 OG1 THR B 30 18.827 -13.389 -6.676 1.00 25.00 O ATOM 790 CG2 THR B 30 17.512 -11.514 -6.011 1.00 25.00 C ATOM 791 OXT THR B 30 19.229 -13.947 -4.003 1.00 25.00 O ATOM 0 H THR B 30 15.561 -13.177 -3.899 1.00 25.00 H new ATOM 0 HA THR B 30 17.259 -14.947 -5.363 1.00 25.00 H new ATOM 0 HB THR B 30 16.837 -13.212 -7.118 1.00 25.00 H new ATOM 0 HG1 THR B 30 19.324 -13.677 -5.882 1.00 25.00 H new ATOM 0 HG21 THR B 30 17.821 -10.960 -6.897 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.499 -11.222 -5.735 1.00 25.00 H new ATOM 0 HG23 THR B 30 18.191 -11.290 -5.188 1.00 25.00 H new TER 800 THR B 30