USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 374 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DAL H2 : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DAL H : B 24 DAL N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 12 SER OG : rot -173:sc= 1 USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 GLN : amide:sc= 0 X(o=0.0016,f=-0.22) USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0.00163 USER MOD Single : A 1 GLY N :NH3+ -162:sc= 0.168 (180deg=0.098) USER MOD Single : A 8 THR OG1 : 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 X(o=0,f=-0.0092) USER MOD Single : A 19 TYR OH : rot 162:sc= 0.471 USER MOD Single : A 21 ASN : amide:sc= -0.0435 K(o=-0.043,f=-0.86) USER MOD Single : B 1 PHE N :NH3+ -165:sc= 0.00112 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.587 K(o=-0.59,f=-6.7!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=-7.1e-05) USER MOD Single : B 5 HIS : no HE2:sc= -3.27! C(o=-3.3!,f=-7.7!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.44 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 44:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.723 3.712 4.998 1.00 0.00 N ATOM 2 CA GLY A 1 -8.987 2.887 3.942 1.00 0.00 C ATOM 3 C GLY A 1 -7.509 3.020 3.807 1.00 0.00 C ATOM 4 O GLY A 1 -6.848 3.581 4.658 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.660 3.296 5.172 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.175 3.713 5.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.835 4.689 4.659 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.204 1.837 4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.427 3.128 2.974 1.00 0.00 H new ATOM 10 N ILE A 2 -6.951 2.514 2.742 1.00 0.00 N ATOM 11 CA ILE A 2 -5.479 2.617 2.549 1.00 0.00 C ATOM 12 C ILE A 2 -5.138 3.969 1.919 1.00 0.00 C ATOM 13 O ILE A 2 -4.396 4.755 2.474 1.00 0.00 O ATOM 14 CB ILE A 2 -5.010 1.497 1.621 1.00 0.00 C ATOM 15 CG1 ILE A 2 -5.463 0.145 2.175 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.485 1.522 1.527 1.00 0.00 C ATOM 17 CD1 ILE A 2 -5.196 -0.943 1.134 1.00 0.00 C ATOM 0 H ILE A 2 -7.453 2.033 1.996 1.00 0.00 H new ATOM 0 HA ILE A 2 -4.980 2.528 3.514 1.00 0.00 H new ATOM 0 HB ILE A 2 -5.441 1.644 0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.929 -0.080 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.525 0.177 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.148 0.724 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.161 2.484 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.057 1.376 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.518 -1.908 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.750 -0.718 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.130 -0.979 0.911 1.00 0.00 H new ATOM 29 N VAL A 3 -5.672 4.237 0.757 1.00 0.00 N ATOM 30 CA VAL A 3 -5.381 5.529 0.077 1.00 0.00 C ATOM 31 C VAL A 3 -5.393 6.673 1.095 1.00 0.00 C ATOM 32 O VAL A 3 -4.646 7.623 0.977 1.00 0.00 O ATOM 33 CB VAL A 3 -6.445 5.793 -0.990 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.190 4.893 -2.200 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.828 5.490 -0.413 1.00 0.00 C ATOM 0 H VAL A 3 -6.299 3.613 0.249 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.397 5.472 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.399 6.837 -1.299 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.948 5.081 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.203 5.107 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.236 3.848 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.588 5.677 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.873 4.445 -0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.011 6.131 0.450 1.00 0.00 H new ATOM 45 N GLU A 4 -6.242 6.589 2.085 1.00 0.00 N ATOM 46 CA GLU A 4 -6.313 7.671 3.110 1.00 0.00 C ATOM 47 C GLU A 4 -4.905 8.166 3.444 1.00 0.00 C ATOM 48 O GLU A 4 -4.622 9.346 3.383 1.00 0.00 O ATOM 49 CB GLU A 4 -6.976 7.129 4.378 1.00 0.00 C ATOM 50 CG GLU A 4 -8.191 7.990 4.727 1.00 0.00 C ATOM 51 CD GLU A 4 -9.389 7.551 3.882 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.456 7.953 2.732 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.217 6.818 4.398 1.00 0.00 O ATOM 0 H GLU A 4 -6.891 5.815 2.228 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.900 8.500 2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.282 6.094 4.227 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.264 7.134 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.426 7.894 5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -7.969 9.041 4.544 1.00 0.00 H new ATOM 60 N GLN A 5 -4.016 7.279 3.792 1.00 0.00 N ATOM 61 CA GLN A 5 -2.631 7.713 4.121 1.00 0.00 C ATOM 62 C GLN A 5 -1.693 7.342 2.974 1.00 0.00 C ATOM 63 O GLN A 5 -0.650 7.939 2.797 1.00 0.00 O ATOM 64 CB GLN A 5 -2.172 7.029 5.410 1.00 0.00 C ATOM 65 CG GLN A 5 -3.004 7.551 6.583 1.00 0.00 C ATOM 66 CD GLN A 5 -2.165 7.516 7.860 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.195 8.236 7.985 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.502 6.703 8.824 1.00 0.00 N ATOM 0 H GLN A 5 -4.188 6.276 3.863 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.613 8.794 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.284 5.948 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.114 7.226 5.583 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.337 8.569 6.382 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.899 6.942 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.317 6.098 8.720 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.951 6.673 9.682 1.00 0.00 H new ATOM 77 N CYS A 6 -2.058 6.367 2.185 1.00 0.00 N ATOM 78 CA CYS A 6 -1.186 5.974 1.044 1.00 0.00 C ATOM 79 C CYS A 6 -1.627 6.743 -0.202 1.00 0.00 C ATOM 80 O CYS A 6 -1.432 6.314 -1.320 1.00 0.00 O ATOM 81 CB CYS A 6 -1.307 4.469 0.797 1.00 0.00 C ATOM 82 SG CYS A 6 -0.358 3.579 2.055 1.00 0.00 S ATOM 0 H CYS A 6 -2.919 5.829 2.282 1.00 0.00 H new ATOM 0 HA CYS A 6 -0.147 6.210 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.353 4.166 0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.937 4.221 -0.198 1.00 0.00 H new ATOM 87 N CYS A 7 -2.220 7.885 -0.001 1.00 0.00 N ATOM 88 CA CYS A 7 -2.685 8.716 -1.144 1.00 0.00 C ATOM 89 C CYS A 7 -2.909 10.139 -0.637 1.00 0.00 C ATOM 90 O CYS A 7 -2.573 11.107 -1.290 1.00 0.00 O ATOM 91 CB CYS A 7 -3.995 8.147 -1.691 1.00 0.00 C ATOM 92 SG CYS A 7 -4.387 8.941 -3.272 1.00 0.00 S ATOM 0 H CYS A 7 -2.405 8.283 0.920 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.943 8.715 -1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.907 7.069 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.802 8.315 -0.978 1.00 0.00 H new ATOM 97 N THR A 8 -3.451 10.269 0.544 1.00 0.00 N ATOM 98 CA THR A 8 -3.671 11.620 1.121 1.00 0.00 C ATOM 99 C THR A 8 -2.475 11.931 2.026 1.00 0.00 C ATOM 100 O THR A 8 -2.136 13.073 2.272 1.00 0.00 O ATOM 101 CB THR A 8 -5.003 11.626 1.906 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.922 12.489 1.252 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.804 12.109 3.349 1.00 0.00 C ATOM 0 H THR A 8 -3.751 9.493 1.134 1.00 0.00 H new ATOM 0 HA THR A 8 -3.744 12.385 0.348 1.00 0.00 H new ATOM 0 HB THR A 8 -5.385 10.606 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.770 12.497 1.743 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.761 12.100 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.105 11.447 3.861 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.404 13.123 3.341 1.00 0.00 H new ATOM 111 N SER A 9 -1.830 10.905 2.507 1.00 0.00 N ATOM 112 CA SER A 9 -0.644 11.090 3.383 1.00 0.00 C ATOM 113 C SER A 9 0.581 10.493 2.679 1.00 0.00 C ATOM 114 O SER A 9 0.760 10.664 1.490 1.00 0.00 O ATOM 115 CB SER A 9 -0.891 10.371 4.710 1.00 0.00 C ATOM 116 OG SER A 9 -0.080 10.953 5.721 1.00 0.00 O ATOM 0 H SER A 9 -2.080 9.933 2.326 1.00 0.00 H new ATOM 0 HA SER A 9 -0.471 12.148 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.943 10.444 4.985 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.661 9.310 4.610 1.00 0.00 H new ATOM 0 HG SER A 9 -0.239 10.494 6.572 1.00 0.00 H new ATOM 122 N ILE A 10 1.424 9.789 3.388 1.00 0.00 N ATOM 123 CA ILE A 10 2.622 9.189 2.731 1.00 0.00 C ATOM 124 C ILE A 10 2.600 7.668 2.917 1.00 0.00 C ATOM 125 O ILE A 10 2.429 7.173 4.014 1.00 0.00 O ATOM 126 CB ILE A 10 3.891 9.766 3.360 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.008 11.251 3.005 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.113 9.019 2.826 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.760 11.443 1.507 1.00 0.00 C ATOM 0 H ILE A 10 1.336 9.604 4.387 1.00 0.00 H new ATOM 0 HA ILE A 10 2.608 9.422 1.666 1.00 0.00 H new ATOM 0 HB ILE A 10 3.841 9.653 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.286 11.831 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.998 11.622 3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.016 9.431 3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.032 7.962 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.163 9.130 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.844 12.501 1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.499 10.876 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.760 11.089 1.255 1.00 0.00 H new ATOM 141 N CYS A 11 2.770 6.924 1.856 1.00 0.00 N ATOM 142 CA CYS A 11 2.754 5.436 1.981 1.00 0.00 C ATOM 143 C CYS A 11 4.186 4.909 2.083 1.00 0.00 C ATOM 144 O CYS A 11 4.994 5.101 1.195 1.00 0.00 O ATOM 145 CB CYS A 11 2.081 4.825 0.752 1.00 0.00 C ATOM 146 SG CYS A 11 1.417 3.193 1.168 1.00 0.00 S ATOM 0 H CYS A 11 2.919 7.280 0.912 1.00 0.00 H new ATOM 0 HA CYS A 11 2.200 5.160 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.280 5.476 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.800 4.739 -0.063 1.00 0.00 H new ATOM 151 N SER A 12 4.506 4.238 3.156 1.00 0.00 N ATOM 152 CA SER A 12 5.881 3.692 3.312 1.00 0.00 C ATOM 153 C SER A 12 5.871 2.191 3.010 1.00 0.00 C ATOM 154 O SER A 12 4.840 1.549 3.044 1.00 0.00 O ATOM 155 CB SER A 12 6.357 3.922 4.743 1.00 0.00 C ATOM 156 OG SER A 12 5.232 4.149 5.582 1.00 0.00 O ATOM 0 H SER A 12 3.872 4.045 3.932 1.00 0.00 H new ATOM 0 HA SER A 12 6.555 4.196 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.919 3.057 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.032 4.777 4.781 1.00 0.00 H new ATOM 0 HG SER A 12 5.538 4.401 6.478 1.00 0.00 H new ATOM 162 N LEU A 13 7.011 1.628 2.716 1.00 0.00 N ATOM 163 CA LEU A 13 7.067 0.171 2.411 1.00 0.00 C ATOM 164 C LEU A 13 6.672 -0.632 3.653 1.00 0.00 C ATOM 165 O LEU A 13 6.033 -1.661 3.560 1.00 0.00 O ATOM 166 CB LEU A 13 8.484 -0.209 1.990 1.00 0.00 C ATOM 167 CG LEU A 13 8.417 -1.229 0.854 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.789 -2.525 1.369 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.568 -0.670 -0.291 1.00 0.00 C ATOM 0 H LEU A 13 7.906 2.115 2.674 1.00 0.00 H new ATOM 0 HA LEU A 13 6.374 -0.053 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.030 0.677 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.028 -0.626 2.837 1.00 0.00 H new ATOM 0 HG LEU A 13 9.424 -1.432 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.741 -3.253 0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.395 -2.925 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.782 -2.321 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.522 -1.399 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.560 -0.464 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.016 0.253 -0.660 1.00 0.00 H new ATOM 181 N TYR A 14 7.045 -0.171 4.816 1.00 0.00 N ATOM 182 CA TYR A 14 6.689 -0.912 6.058 1.00 0.00 C ATOM 183 C TYR A 14 5.186 -0.779 6.317 1.00 0.00 C ATOM 184 O TYR A 14 4.549 -1.685 6.817 1.00 0.00 O ATOM 185 CB TYR A 14 7.466 -0.333 7.243 1.00 0.00 C ATOM 186 CG TYR A 14 6.895 1.015 7.618 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.741 1.093 8.408 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.520 2.189 7.175 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.212 2.343 8.757 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.991 3.439 7.524 1.00 0.00 C ATOM 191 CZ TYR A 14 5.837 3.515 8.314 1.00 0.00 C ATOM 192 OH TYR A 14 5.317 4.747 8.657 1.00 0.00 O ATOM 0 H TYR A 14 7.580 0.686 4.959 1.00 0.00 H new ATOM 0 HA TYR A 14 6.946 -1.964 5.938 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.409 -1.012 8.094 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.520 -0.233 6.985 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.258 0.189 8.749 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.409 2.130 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.323 2.402 9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.473 4.344 7.184 1.00 0.00 H new ATOM 0 HH TYR A 14 5.872 5.456 8.269 1.00 0.00 H new ATOM 202 N GLN A 15 4.615 0.345 5.981 1.00 0.00 N ATOM 203 CA GLN A 15 3.155 0.537 6.209 1.00 0.00 C ATOM 204 C GLN A 15 2.373 -0.496 5.405 1.00 0.00 C ATOM 205 O GLN A 15 1.403 -1.054 5.880 1.00 0.00 O ATOM 206 CB GLN A 15 2.747 1.944 5.770 1.00 0.00 C ATOM 207 CG GLN A 15 1.375 2.281 6.356 1.00 0.00 C ATOM 208 CD GLN A 15 1.556 3.132 7.615 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.512 2.622 8.717 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.759 4.415 7.497 1.00 0.00 N ATOM 0 H GLN A 15 5.096 1.139 5.558 1.00 0.00 H new ATOM 0 HA GLN A 15 2.936 0.412 7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.487 2.671 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.714 2.002 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.776 2.820 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.835 1.365 6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.796 4.843 6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.881 4.991 8.330 1.00 0.00 H new ATOM 219 N LEU A 16 2.779 -0.767 4.196 1.00 0.00 N ATOM 220 CA LEU A 16 2.049 -1.766 3.394 1.00 0.00 C ATOM 221 C LEU A 16 2.418 -3.156 3.910 1.00 0.00 C ATOM 222 O LEU A 16 1.622 -4.072 3.884 1.00 0.00 O ATOM 223 CB LEU A 16 2.411 -1.571 1.914 1.00 0.00 C ATOM 224 CG LEU A 16 3.459 -2.578 1.446 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.818 -3.957 1.306 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.985 -2.129 0.088 1.00 0.00 C ATOM 0 H LEU A 16 3.582 -0.338 3.737 1.00 0.00 H new ATOM 0 HA LEU A 16 0.969 -1.649 3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.513 -1.672 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.787 -0.559 1.763 1.00 0.00 H new ATOM 0 HG LEU A 16 4.273 -2.633 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.568 -4.674 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.418 -4.272 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.010 -3.910 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.736 -2.837 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.162 -2.089 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.434 -1.140 0.181 1.00 0.00 H new ATOM 238 N GLU A 17 3.608 -3.309 4.421 1.00 0.00 N ATOM 239 CA GLU A 17 3.996 -4.626 4.979 1.00 0.00 C ATOM 240 C GLU A 17 2.948 -4.986 6.023 1.00 0.00 C ATOM 241 O GLU A 17 2.587 -6.131 6.210 1.00 0.00 O ATOM 242 CB GLU A 17 5.374 -4.521 5.633 1.00 0.00 C ATOM 243 CG GLU A 17 6.437 -5.084 4.687 1.00 0.00 C ATOM 244 CD GLU A 17 7.112 -6.293 5.338 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.008 -6.425 6.547 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.719 -7.067 4.616 1.00 0.00 O ATOM 0 H GLU A 17 4.322 -2.582 4.475 1.00 0.00 H new ATOM 0 HA GLU A 17 4.048 -5.387 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.597 -3.480 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.383 -5.070 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.980 -5.375 3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.179 -4.318 4.460 1.00 0.00 H new ATOM 253 N ASN A 18 2.436 -3.983 6.675 1.00 0.00 N ATOM 254 CA ASN A 18 1.377 -4.194 7.694 1.00 0.00 C ATOM 255 C ASN A 18 0.057 -4.437 6.963 1.00 0.00 C ATOM 256 O ASN A 18 -0.825 -5.119 7.448 1.00 0.00 O ATOM 257 CB ASN A 18 1.270 -2.939 8.565 1.00 0.00 C ATOM 258 CG ASN A 18 1.990 -3.173 9.894 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.535 -3.941 10.718 1.00 0.00 O ATOM 260 ND2 ASN A 18 3.104 -2.539 10.140 1.00 0.00 N ATOM 0 H ASN A 18 2.712 -3.010 6.542 1.00 0.00 H new ATOM 0 HA ASN A 18 1.612 -5.049 8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.709 -2.086 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.222 -2.697 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.592 -2.689 11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.487 -1.894 9.449 1.00 0.00 H new ATOM 267 N TYR A 19 -0.069 -3.888 5.786 1.00 0.00 N ATOM 268 CA TYR A 19 -1.311 -4.079 4.988 1.00 0.00 C ATOM 269 C TYR A 19 -1.446 -5.559 4.621 1.00 0.00 C ATOM 270 O TYR A 19 -2.509 -6.028 4.266 1.00 0.00 O ATOM 271 CB TYR A 19 -1.215 -3.242 3.705 1.00 0.00 C ATOM 272 CG TYR A 19 -1.370 -1.769 4.025 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.600 -1.343 5.343 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.278 -0.823 2.994 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.740 0.022 5.627 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.417 0.541 3.278 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.648 0.964 4.593 1.00 0.00 C ATOM 278 OH TYR A 19 -1.784 2.309 4.871 1.00 0.00 O ATOM 0 H TYR A 19 0.643 -3.310 5.340 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.179 -3.764 5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.255 -3.417 3.220 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.988 -3.552 3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.669 -2.069 6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.100 -1.147 1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.919 0.348 6.641 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.346 1.268 2.482 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.417 2.835 4.130 1.00 0.00 H new ATOM 288 N CYS A 20 -0.371 -6.297 4.704 1.00 0.00 N ATOM 289 CA CYS A 20 -0.431 -7.747 4.361 1.00 0.00 C ATOM 290 C CYS A 20 0.225 -8.565 5.476 1.00 0.00 C ATOM 291 O CYS A 20 0.347 -9.770 5.385 1.00 0.00 O ATOM 292 CB CYS A 20 0.315 -7.991 3.048 1.00 0.00 C ATOM 293 SG CYS A 20 -0.273 -9.529 2.296 1.00 0.00 S ATOM 0 H CYS A 20 0.546 -5.958 4.995 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.472 -8.050 4.252 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.155 -7.156 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.388 -8.051 3.233 1.00 0.00 H new ATOM 298 N ASN A 21 0.652 -7.920 6.529 1.00 0.00 N ATOM 299 CA ASN A 21 1.302 -8.665 7.643 1.00 0.00 C ATOM 300 C ASN A 21 1.202 -7.845 8.931 1.00 0.00 C ATOM 301 O ASN A 21 2.187 -7.225 9.293 1.00 0.00 O ATOM 302 CB ASN A 21 2.775 -8.905 7.304 1.00 0.00 C ATOM 303 CG ASN A 21 3.192 -10.293 7.796 1.00 0.00 C ATOM 304 OD1 ASN A 21 2.633 -10.808 8.744 1.00 0.00 O ATOM 305 ND2 ASN A 21 4.158 -10.925 7.186 1.00 0.00 N ATOM 306 OXT ASN A 21 0.140 -7.850 9.532 1.00 0.00 O ATOM 0 H ASN A 21 0.578 -6.912 6.665 1.00 0.00 H new ATOM 0 HA ASN A 21 0.800 -9.623 7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.929 -8.828 6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.396 -8.140 7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.443 -11.851 7.505 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.627 -10.493 6.390 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.284 4.778 -1.499 1.00 0.00 N ATOM 315 CA PHE B 1 12.009 4.008 -1.563 1.00 0.00 C ATOM 316 C PHE B 1 10.891 4.914 -2.081 1.00 0.00 C ATOM 317 O PHE B 1 11.137 5.987 -2.595 1.00 0.00 O ATOM 318 CB PHE B 1 11.648 3.504 -0.164 1.00 0.00 C ATOM 319 CG PHE B 1 11.817 1.966 -0.121 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.019 1.126 -0.939 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.773 1.365 0.732 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.178 -0.265 -0.895 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.921 -0.026 0.763 1.00 0.00 C ATOM 324 CZ PHE B 1 12.126 -0.839 -0.046 1.00 0.00 C ATOM 0 H1 PHE B 1 14.082 4.120 -1.396 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.400 5.330 -2.373 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.260 5.423 -0.683 1.00 0.00 H new ATOM 0 HA PHE B 1 12.131 3.159 -2.236 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.289 3.974 0.582 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.621 3.777 0.081 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.284 1.562 -1.600 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.393 1.984 1.363 1.00 0.00 H new ATOM 0 HE1 PHE B 1 10.564 -0.896 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE B 1 13.655 -0.473 1.417 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.244 -1.912 -0.015 1.00 0.00 H new ATOM 336 N VAL B 2 9.664 4.491 -1.951 1.00 0.00 N ATOM 337 CA VAL B 2 8.530 5.327 -2.437 1.00 0.00 C ATOM 338 C VAL B 2 7.659 5.747 -1.250 1.00 0.00 C ATOM 339 O VAL B 2 6.893 4.965 -0.723 1.00 0.00 O ATOM 340 CB VAL B 2 7.690 4.521 -3.426 1.00 0.00 C ATOM 341 CG1 VAL B 2 8.572 4.058 -4.587 1.00 0.00 C ATOM 342 CG2 VAL B 2 7.106 3.303 -2.713 1.00 0.00 C ATOM 0 H VAL B 2 9.397 3.602 -1.529 1.00 0.00 H new ATOM 0 HA VAL B 2 8.921 6.216 -2.933 1.00 0.00 H new ATOM 0 HB VAL B 2 6.882 5.143 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL B 2 7.972 3.483 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL B 2 8.993 4.927 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.380 3.434 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL B 2 6.505 2.724 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.916 2.682 -2.331 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.479 3.632 -1.884 1.00 0.00 H new ATOM 352 N ASN B 3 7.771 6.977 -0.826 1.00 0.00 N ATOM 353 CA ASN B 3 6.948 7.448 0.326 1.00 0.00 C ATOM 354 C ASN B 3 6.072 8.622 -0.121 1.00 0.00 C ATOM 355 O ASN B 3 6.034 9.656 0.514 1.00 0.00 O ATOM 356 CB ASN B 3 7.872 7.898 1.460 1.00 0.00 C ATOM 357 CG ASN B 3 8.671 9.124 1.011 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.751 9.414 -0.165 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.271 9.860 1.907 1.00 0.00 N ATOM 0 H ASN B 3 8.396 7.676 -1.227 1.00 0.00 H new ATOM 0 HA ASN B 3 6.312 6.636 0.678 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.286 8.137 2.347 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.550 7.089 1.734 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.807 10.679 1.619 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.204 9.616 2.895 1.00 0.00 H new ATOM 366 N GLN B 4 5.372 8.469 -1.211 1.00 0.00 N ATOM 367 CA GLN B 4 4.504 9.570 -1.706 1.00 0.00 C ATOM 368 C GLN B 4 3.054 9.087 -1.805 1.00 0.00 C ATOM 369 O GLN B 4 2.707 8.026 -1.318 1.00 0.00 O ATOM 370 CB GLN B 4 4.997 9.999 -3.089 1.00 0.00 C ATOM 371 CG GLN B 4 5.821 11.281 -2.965 1.00 0.00 C ATOM 372 CD GLN B 4 4.926 12.491 -3.235 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.519 13.177 -2.318 1.00 0.00 O ATOM 374 NE2 GLN B 4 4.600 12.785 -4.464 1.00 0.00 N ATOM 0 H GLN B 4 5.365 7.624 -1.782 1.00 0.00 H new ATOM 0 HA GLN B 4 4.548 10.412 -1.015 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.601 9.208 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.149 10.163 -3.754 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.255 11.352 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.650 11.263 -3.673 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.941 12.209 -5.234 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.004 13.590 -4.655 1.00 0.00 H new ATOM 383 N HIS B 5 2.205 9.861 -2.430 1.00 0.00 N ATOM 384 CA HIS B 5 0.777 9.455 -2.568 1.00 0.00 C ATOM 385 C HIS B 5 0.636 8.497 -3.754 1.00 0.00 C ATOM 386 O HIS B 5 0.511 8.912 -4.889 1.00 0.00 O ATOM 387 CB HIS B 5 -0.083 10.696 -2.809 1.00 0.00 C ATOM 388 CG HIS B 5 0.323 11.782 -1.850 1.00 0.00 C ATOM 389 ND1 HIS B 5 -0.356 11.990 -0.669 1.00 0.00 N ATOM 390 CD2 HIS B 5 1.332 12.704 -1.910 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.249 13.015 -0.053 1.00 0.00 C ATOM 392 NE2 HIS B 5 1.287 13.485 -0.775 1.00 0.00 N ATOM 0 H HIS B 5 2.441 10.759 -2.852 1.00 0.00 H new ATOM 0 HA HIS B 5 0.448 8.957 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.036 11.040 -3.836 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.137 10.453 -2.675 1.00 0.00 H new ATOM 0 HD1 HIS B 5 -1.162 11.466 -0.330 1.00 0.00 H new ATOM 0 HD2 HIS B 5 2.046 12.804 -2.714 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.057 13.415 0.903 1.00 0.00 H new ATOM 400 N LEU B 6 0.668 7.220 -3.497 1.00 0.00 N ATOM 401 CA LEU B 6 0.549 6.227 -4.612 1.00 0.00 C ATOM 402 C LEU B 6 -0.909 5.780 -4.806 1.00 0.00 C ATOM 403 O LEU B 6 -1.235 5.135 -5.781 1.00 0.00 O ATOM 404 CB LEU B 6 1.423 4.993 -4.327 1.00 0.00 C ATOM 405 CG LEU B 6 1.774 4.901 -2.838 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.494 4.711 -2.020 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.706 3.708 -2.608 1.00 0.00 C ATOM 0 H LEU B 6 0.771 6.816 -2.566 1.00 0.00 H new ATOM 0 HA LEU B 6 0.891 6.715 -5.525 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.896 4.090 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.338 5.047 -4.917 1.00 0.00 H new ATOM 0 HG LEU B 6 2.271 5.819 -2.525 1.00 0.00 H new ATOM 0 HD11 LEU B 6 0.745 4.646 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.171 5.559 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -0.004 3.793 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.957 3.641 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.207 2.791 -2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.618 3.842 -3.189 1.00 0.00 H new ATOM 419 N CYS B 7 -1.795 6.118 -3.910 1.00 0.00 N ATOM 420 CA CYS B 7 -3.219 5.705 -4.076 1.00 0.00 C ATOM 421 C CYS B 7 -3.308 4.236 -4.513 1.00 0.00 C ATOM 422 O CYS B 7 -2.328 3.521 -4.536 1.00 0.00 O ATOM 423 CB CYS B 7 -3.882 6.603 -5.124 1.00 0.00 C ATOM 424 SG CYS B 7 -5.267 7.484 -4.361 1.00 0.00 S ATOM 0 H CYS B 7 -1.596 6.662 -3.070 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.735 5.809 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.158 7.314 -5.522 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.235 6.004 -5.963 1.00 0.00 H new ATOM 429 N GLY B 8 -4.491 3.778 -4.832 1.00 0.00 N ATOM 430 CA GLY B 8 -4.673 2.354 -5.241 1.00 0.00 C ATOM 431 C GLY B 8 -3.654 1.947 -6.309 1.00 0.00 C ATOM 432 O GLY B 8 -2.564 1.522 -5.996 1.00 0.00 O ATOM 0 H GLY B 8 -5.346 4.335 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.568 1.707 -4.370 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.683 2.210 -5.625 1.00 0.00 H new ATOM 436 N SER B 9 -4.036 2.050 -7.560 1.00 0.00 N ATOM 437 CA SER B 9 -3.154 1.651 -8.711 1.00 0.00 C ATOM 438 C SER B 9 -1.692 1.471 -8.290 1.00 0.00 C ATOM 439 O SER B 9 -1.093 0.443 -8.538 1.00 0.00 O ATOM 440 CB SER B 9 -3.234 2.722 -9.797 1.00 0.00 C ATOM 441 OG SER B 9 -2.546 3.887 -9.362 1.00 0.00 O ATOM 0 H SER B 9 -4.950 2.405 -7.842 1.00 0.00 H new ATOM 0 HA SER B 9 -3.511 0.691 -9.083 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.794 2.351 -10.723 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.276 2.960 -10.012 1.00 0.00 H new ATOM 0 HG SER B 9 -2.595 4.575 -10.058 1.00 0.00 H new ATOM 447 N ASP B 10 -1.105 2.453 -7.668 1.00 0.00 N ATOM 448 CA ASP B 10 0.320 2.310 -7.257 1.00 0.00 C ATOM 449 C ASP B 10 0.417 1.595 -5.905 1.00 0.00 C ATOM 450 O ASP B 10 1.068 0.576 -5.785 1.00 0.00 O ATOM 451 CB ASP B 10 0.971 3.691 -7.164 1.00 0.00 C ATOM 452 CG ASP B 10 1.807 3.945 -8.419 1.00 0.00 C ATOM 453 OD1 ASP B 10 1.252 3.868 -9.502 1.00 0.00 O ATOM 454 OD2 ASP B 10 2.989 4.212 -8.274 1.00 0.00 O ATOM 0 H ASP B 10 -1.544 3.342 -7.427 1.00 0.00 H new ATOM 0 HA ASP B 10 0.844 1.714 -8.004 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.205 4.460 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.601 3.749 -6.276 1.00 0.00 H new ATOM 459 N LEU B 11 -0.212 2.113 -4.883 1.00 0.00 N ATOM 460 CA LEU B 11 -0.126 1.440 -3.553 1.00 0.00 C ATOM 461 C LEU B 11 -0.413 -0.053 -3.722 1.00 0.00 C ATOM 462 O LEU B 11 0.256 -0.888 -3.147 1.00 0.00 O ATOM 463 CB LEU B 11 -1.117 2.079 -2.567 1.00 0.00 C ATOM 464 CG LEU B 11 -2.545 1.605 -2.839 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.760 0.232 -2.209 1.00 0.00 C ATOM 466 CD2 LEU B 11 -3.526 2.601 -2.211 1.00 0.00 C ATOM 0 H LEU B 11 -0.775 2.963 -4.910 1.00 0.00 H new ATOM 0 HA LEU B 11 0.878 1.564 -3.147 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.834 1.824 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.069 3.165 -2.650 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.709 1.540 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.779 -0.103 -2.405 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.055 -0.480 -2.639 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.600 0.296 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.548 2.273 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.353 2.653 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.375 3.587 -2.651 1.00 0.00 H new ATOM 478 N VAL B 12 -1.381 -0.402 -4.523 1.00 0.00 N ATOM 479 CA VAL B 12 -1.672 -1.847 -4.738 1.00 0.00 C ATOM 480 C VAL B 12 -0.518 -2.453 -5.538 1.00 0.00 C ATOM 481 O VAL B 12 -0.203 -3.619 -5.408 1.00 0.00 O ATOM 482 CB VAL B 12 -2.989 -2.012 -5.503 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.055 -1.004 -6.649 1.00 0.00 C ATOM 484 CG2 VAL B 12 -3.077 -3.428 -6.079 1.00 0.00 C ATOM 0 H VAL B 12 -1.980 0.246 -5.035 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.771 -2.356 -3.779 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.819 -1.840 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.994 -1.127 -7.188 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.997 0.008 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -2.221 -1.172 -7.330 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.015 -3.542 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.241 -3.597 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.038 -4.154 -5.267 1.00 0.00 H new ATOM 494 N GLU B 13 0.131 -1.660 -6.347 1.00 0.00 N ATOM 495 CA GLU B 13 1.280 -2.182 -7.130 1.00 0.00 C ATOM 496 C GLU B 13 2.379 -2.563 -6.143 1.00 0.00 C ATOM 497 O GLU B 13 2.905 -3.661 -6.165 1.00 0.00 O ATOM 498 CB GLU B 13 1.786 -1.094 -8.078 1.00 0.00 C ATOM 499 CG GLU B 13 1.246 -1.352 -9.487 1.00 0.00 C ATOM 500 CD GLU B 13 1.920 -2.593 -10.074 1.00 0.00 C ATOM 501 OE1 GLU B 13 1.475 -3.686 -9.766 1.00 0.00 O ATOM 502 OE2 GLU B 13 2.870 -2.428 -10.821 1.00 0.00 O ATOM 0 H GLU B 13 -0.087 -0.675 -6.497 1.00 0.00 H new ATOM 0 HA GLU B 13 0.984 -3.049 -7.721 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.464 -0.113 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.876 -1.086 -8.091 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.166 -1.494 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.434 -0.488 -10.124 1.00 0.00 H new ATOM 509 N ALA B 14 2.709 -1.666 -5.252 1.00 0.00 N ATOM 510 CA ALA B 14 3.744 -1.981 -4.236 1.00 0.00 C ATOM 511 C ALA B 14 3.234 -3.156 -3.406 1.00 0.00 C ATOM 512 O ALA B 14 3.980 -4.021 -2.995 1.00 0.00 O ATOM 513 CB ALA B 14 3.962 -0.763 -3.334 1.00 0.00 C ATOM 0 H ALA B 14 2.305 -0.732 -5.187 1.00 0.00 H new ATOM 0 HA ALA B 14 4.691 -2.234 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.722 -0.994 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.292 0.083 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.028 -0.509 -2.833 1.00 0.00 H new ATOM 519 N LEU B 15 1.949 -3.196 -3.183 1.00 0.00 N ATOM 520 CA LEU B 15 1.350 -4.308 -2.409 1.00 0.00 C ATOM 521 C LEU B 15 1.722 -5.631 -3.079 1.00 0.00 C ATOM 522 O LEU B 15 1.826 -6.659 -2.439 1.00 0.00 O ATOM 523 CB LEU B 15 -0.174 -4.129 -2.422 1.00 0.00 C ATOM 524 CG LEU B 15 -0.656 -3.278 -1.232 1.00 0.00 C ATOM 525 CD1 LEU B 15 -1.221 -4.196 -0.151 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.496 -2.453 -0.640 1.00 0.00 C ATOM 0 H LEU B 15 1.285 -2.495 -3.510 1.00 0.00 H new ATOM 0 HA LEU B 15 1.716 -4.310 -1.382 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.477 -3.655 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.656 -5.106 -2.390 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.426 -2.593 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.563 -3.597 0.693 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.059 -4.763 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.445 -4.884 0.184 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.127 -1.862 0.198 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.283 -3.123 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.897 -1.787 -1.404 1.00 0.00 H new ATOM 538 N TYR B 16 1.929 -5.608 -4.368 1.00 0.00 N ATOM 539 CA TYR B 16 2.301 -6.854 -5.092 1.00 0.00 C ATOM 540 C TYR B 16 3.778 -7.158 -4.839 1.00 0.00 C ATOM 541 O TYR B 16 4.120 -8.041 -4.077 1.00 0.00 O ATOM 542 CB TYR B 16 2.059 -6.656 -6.594 1.00 0.00 C ATOM 543 CG TYR B 16 2.836 -7.686 -7.384 1.00 0.00 C ATOM 544 CD1 TYR B 16 2.697 -9.047 -7.085 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.697 -7.279 -8.413 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.417 -10.003 -7.814 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.417 -8.234 -9.143 1.00 0.00 C ATOM 548 CZ TYR B 16 4.277 -9.596 -8.843 1.00 0.00 C ATOM 549 OH TYR B 16 4.985 -10.538 -9.561 1.00 0.00 O ATOM 0 H TYR B 16 1.856 -4.775 -4.952 1.00 0.00 H new ATOM 0 HA TYR B 16 1.695 -7.687 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.995 -6.744 -6.814 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.364 -5.652 -6.891 1.00 0.00 H new ATOM 0 HD1 TYR B 16 2.034 -9.360 -6.292 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.805 -6.229 -8.643 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.309 -11.053 -7.583 1.00 0.00 H new ATOM 0 HE2 TYR B 16 5.079 -7.921 -9.936 1.00 0.00 H new ATOM 0 HH TYR B 16 5.533 -10.089 -10.238 1.00 0.00 H new ATOM 559 N LEU B 17 4.658 -6.435 -5.478 1.00 0.00 N ATOM 560 CA LEU B 17 6.105 -6.681 -5.282 1.00 0.00 C ATOM 561 C LEU B 17 6.408 -6.812 -3.786 1.00 0.00 C ATOM 562 O LEU B 17 7.380 -7.427 -3.393 1.00 0.00 O ATOM 563 CB LEU B 17 6.892 -5.518 -5.891 1.00 0.00 C ATOM 564 CG LEU B 17 6.896 -4.336 -4.926 1.00 0.00 C ATOM 565 CD1 LEU B 17 8.260 -4.240 -4.237 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.624 -3.045 -5.700 1.00 0.00 C ATOM 0 H LEU B 17 4.430 -5.683 -6.129 1.00 0.00 H new ATOM 0 HA LEU B 17 6.398 -7.608 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.915 -5.830 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.446 -5.223 -6.841 1.00 0.00 H new ATOM 0 HG LEU B 17 6.120 -4.480 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.261 -3.395 -3.548 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.454 -5.159 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.037 -4.097 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.627 -2.200 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.399 -2.902 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.652 -3.112 -6.189 1.00 0.00 H new ATOM 578 N VAL B 18 5.584 -6.241 -2.947 1.00 0.00 N ATOM 579 CA VAL B 18 5.828 -6.340 -1.481 1.00 0.00 C ATOM 580 C VAL B 18 5.259 -7.662 -0.960 1.00 0.00 C ATOM 581 O VAL B 18 5.952 -8.657 -0.878 1.00 0.00 O ATOM 582 CB VAL B 18 5.142 -5.173 -0.769 1.00 0.00 C ATOM 583 CG1 VAL B 18 5.142 -5.421 0.741 1.00 0.00 C ATOM 584 CG2 VAL B 18 5.900 -3.880 -1.065 1.00 0.00 C ATOM 0 H VAL B 18 4.754 -5.712 -3.215 1.00 0.00 H new ATOM 0 HA VAL B 18 6.900 -6.303 -1.287 1.00 0.00 H new ATOM 0 HB VAL B 18 4.115 -5.087 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.653 -4.588 1.246 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.604 -6.344 0.958 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.169 -5.508 1.095 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.412 -3.048 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL B 18 6.926 -3.970 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.904 -3.698 -2.140 1.00 0.00 H new ATOM 594 N CYS B 19 4.002 -7.681 -0.609 1.00 0.00 N ATOM 595 CA CYS B 19 3.390 -8.939 -0.094 1.00 0.00 C ATOM 596 C CYS B 19 3.048 -9.860 -1.267 1.00 0.00 C ATOM 597 O CYS B 19 3.430 -11.013 -1.297 1.00 0.00 O ATOM 598 CB CYS B 19 2.113 -8.605 0.679 1.00 0.00 C ATOM 599 SG CYS B 19 1.273 -10.140 1.148 1.00 0.00 S ATOM 0 H CYS B 19 3.372 -6.880 -0.657 1.00 0.00 H new ATOM 0 HA CYS B 19 4.096 -9.441 0.567 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.355 -8.024 1.569 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.454 -7.990 0.066 1.00 0.00 H new ATOM 604 N GLY B 20 2.329 -9.361 -2.235 1.00 0.00 N ATOM 605 CA GLY B 20 1.961 -10.209 -3.403 1.00 0.00 C ATOM 606 C GLY B 20 0.965 -11.283 -2.960 1.00 0.00 C ATOM 607 O GLY B 20 0.737 -12.254 -3.651 1.00 0.00 O ATOM 0 H GLY B 20 1.981 -8.403 -2.267 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.523 -9.594 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.852 -10.675 -3.823 1.00 0.00 H new ATOM 611 N GLU B 21 0.379 -11.117 -1.802 1.00 0.00 N ATOM 612 CA GLU B 21 -0.597 -12.121 -1.296 1.00 0.00 C ATOM 613 C GLU B 21 -0.042 -13.521 -1.510 1.00 0.00 C ATOM 614 O GLU B 21 -0.771 -14.483 -1.637 1.00 0.00 O ATOM 615 CB GLU B 21 -1.925 -11.969 -2.033 1.00 0.00 C ATOM 616 CG GLU B 21 -1.799 -12.481 -3.471 1.00 0.00 C ATOM 617 CD GLU B 21 -3.195 -12.688 -4.062 1.00 0.00 C ATOM 618 OE1 GLU B 21 -4.070 -11.895 -3.759 1.00 0.00 O ATOM 619 OE2 GLU B 21 -3.365 -13.639 -4.809 1.00 0.00 O ATOM 0 H GLU B 21 0.538 -10.322 -1.183 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.763 -11.959 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.704 -12.523 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -2.228 -10.922 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -1.239 -11.767 -4.075 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.243 -13.418 -3.487 1.00 0.00 H new ATOM 626 N ARG B 22 1.251 -13.630 -1.545 1.00 0.00 N ATOM 627 CA ARG B 22 1.900 -14.958 -1.745 1.00 0.00 C ATOM 628 C ARG B 22 1.606 -15.466 -3.163 1.00 0.00 C ATOM 629 O ARG B 22 1.907 -16.593 -3.503 1.00 0.00 O ATOM 630 CB ARG B 22 1.390 -15.947 -0.676 1.00 0.00 C ATOM 631 CG ARG B 22 0.309 -16.886 -1.237 1.00 0.00 C ATOM 632 CD ARG B 22 0.960 -18.186 -1.710 1.00 0.00 C ATOM 633 NE ARG B 22 0.635 -19.281 -0.752 1.00 0.00 N ATOM 634 CZ ARG B 22 -0.566 -19.791 -0.725 1.00 0.00 C ATOM 635 NH1 ARG B 22 -1.197 -20.035 -1.840 1.00 0.00 N ATOM 636 NH2 ARG B 22 -1.136 -20.055 0.419 1.00 0.00 N ATOM 0 H ARG B 22 1.898 -12.848 -1.443 1.00 0.00 H new ATOM 0 HA ARG B 22 2.981 -14.866 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.225 -16.538 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.986 -15.391 0.170 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -0.437 -17.098 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.212 -16.405 -2.065 1.00 0.00 H new ATOM 0 HD2 ARG B 22 0.602 -18.443 -2.707 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.040 -18.059 -1.781 1.00 0.00 H new ATOM 0 HE ARG B 22 1.352 -19.632 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.752 -19.827 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -2.136 -20.434 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.643 -19.863 1.291 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.075 -20.454 0.441 1.00 0.00 H new ATOM 650 N GLY B 23 1.021 -14.643 -3.987 1.00 0.00 N ATOM 651 CA GLY B 23 0.708 -15.077 -5.378 1.00 0.00 C ATOM 652 C GLY B 23 0.698 -13.859 -6.305 1.00 0.00 C ATOM 653 O GLY B 23 1.730 -13.387 -6.736 1.00 0.00 O ATOM 0 H GLY B 23 0.746 -13.688 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.448 -15.801 -5.719 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -0.261 -15.575 -5.405 1.00 0.00 H new HETATM 657 N DAL B 24 -0.463 -13.347 -6.614 1.00 0.00 N HETATM 658 CA DAL B 24 -0.536 -12.160 -7.514 1.00 0.00 C HETATM 659 CB DAL B 24 0.302 -11.021 -6.930 1.00 0.00 C HETATM 660 C DAL B 24 -1.991 -11.708 -7.649 1.00 0.00 C HETATM 661 O DAL B 24 -2.904 -12.509 -7.636 1.00 0.00 O HETATM 0 HB3 DAL B 24 -0.083 -10.753 -5.946 1.00 0.00 H new HETATM 0 HB2 DAL B 24 1.339 -11.343 -6.838 1.00 0.00 H new HETATM 0 HB1 DAL B 24 0.248 -10.154 -7.589 1.00 0.00 H new HETATM 0 HA DAL B 24 -0.148 -12.427 -8.497 1.00 0.00 H new ATOM 667 N PHE B 25 -2.217 -10.428 -7.783 1.00 0.00 N ATOM 668 CA PHE B 25 -3.612 -9.929 -7.924 1.00 0.00 C ATOM 669 C PHE B 25 -4.098 -10.195 -9.345 1.00 0.00 C ATOM 670 O PHE B 25 -4.774 -11.167 -9.611 1.00 0.00 O ATOM 671 CB PHE B 25 -3.646 -8.422 -7.653 1.00 0.00 C ATOM 672 CG PHE B 25 -3.760 -8.182 -6.129 1.00 0.00 C ATOM 673 CD1 PHE B 25 -3.187 -9.096 -5.206 1.00 0.00 C ATOM 674 CD2 PHE B 25 -4.438 -7.050 -5.622 1.00 0.00 C ATOM 675 CE1 PHE B 25 -3.295 -8.872 -3.829 1.00 0.00 C ATOM 676 CE2 PHE B 25 -4.537 -6.841 -4.241 1.00 0.00 C ATOM 677 CZ PHE B 25 -3.967 -7.748 -3.348 1.00 0.00 C ATOM 0 H PHE B 25 -1.495 -9.708 -7.801 1.00 0.00 H new ATOM 0 HA PHE B 25 -4.257 -10.442 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -2.743 -7.950 -8.041 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -4.491 -7.966 -8.169 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -2.665 -9.969 -5.569 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.883 -6.341 -6.305 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -2.856 -9.573 -3.135 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -5.058 -5.973 -3.865 1.00 0.00 H new ATOM 0 HZ PHE B 25 -4.046 -7.580 -2.284 1.00 0.00 H new ATOM 687 N TYR B 26 -3.747 -9.330 -10.251 1.00 0.00 N ATOM 688 CA TYR B 26 -4.165 -9.497 -11.673 1.00 0.00 C ATOM 689 C TYR B 26 -4.057 -8.147 -12.388 1.00 0.00 C ATOM 690 O TYR B 26 -4.937 -7.314 -12.297 1.00 0.00 O ATOM 691 CB TYR B 26 -5.614 -9.996 -11.737 1.00 0.00 C ATOM 692 CG TYR B 26 -6.150 -9.826 -13.141 1.00 0.00 C ATOM 693 CD1 TYR B 26 -5.447 -10.362 -14.226 1.00 0.00 C ATOM 694 CD2 TYR B 26 -7.349 -9.132 -13.354 1.00 0.00 C ATOM 695 CE1 TYR B 26 -5.943 -10.206 -15.528 1.00 0.00 C ATOM 696 CE2 TYR B 26 -7.845 -8.976 -14.656 1.00 0.00 C ATOM 697 CZ TYR B 26 -7.141 -9.513 -15.743 1.00 0.00 C ATOM 698 OH TYR B 26 -7.629 -9.360 -17.025 1.00 0.00 O ATOM 0 H TYR B 26 -3.180 -8.502 -10.067 1.00 0.00 H new ATOM 0 HA TYR B 26 -3.517 -10.226 -12.159 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.661 -11.045 -11.444 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.232 -9.440 -11.032 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.523 -10.896 -14.060 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.890 -8.718 -12.516 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.401 -10.620 -16.365 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -8.769 -8.442 -14.822 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.469 -8.856 -16.997 1.00 0.00 H new ATOM 708 N THR B 27 -2.985 -7.922 -13.098 1.00 0.00 N ATOM 709 CA THR B 27 -2.827 -6.624 -13.814 1.00 0.00 C ATOM 710 C THR B 27 -2.414 -6.888 -15.264 1.00 0.00 C ATOM 711 O THR B 27 -3.147 -6.601 -16.189 1.00 0.00 O ATOM 712 CB THR B 27 -1.750 -5.788 -13.120 1.00 0.00 C ATOM 713 OG1 THR B 27 -0.973 -6.626 -12.275 1.00 0.00 O ATOM 714 CG2 THR B 27 -2.413 -4.692 -12.283 1.00 0.00 C ATOM 0 H THR B 27 -2.213 -8.579 -13.213 1.00 0.00 H new ATOM 0 HA THR B 27 -3.773 -6.083 -13.799 1.00 0.00 H new ATOM 0 HB THR B 27 -1.106 -5.330 -13.870 1.00 0.00 H new ATOM 0 HG1 THR B 27 -0.282 -6.092 -11.831 1.00 0.00 H new ATOM 0 HG21 THR B 27 -1.645 -4.097 -11.789 1.00 0.00 H new ATOM 0 HG22 THR B 27 -3.009 -4.049 -12.931 1.00 0.00 H new ATOM 0 HG23 THR B 27 -3.058 -5.148 -11.532 1.00 0.00 H new ATOM 722 N LYS B 28 -1.245 -7.429 -15.469 1.00 0.00 N ATOM 723 CA LYS B 28 -0.788 -7.708 -16.860 1.00 0.00 C ATOM 724 C LYS B 28 0.116 -8.944 -16.862 1.00 0.00 C ATOM 725 O LYS B 28 1.325 -8.826 -16.901 1.00 0.00 O ATOM 726 CB LYS B 28 -0.008 -6.503 -17.392 1.00 0.00 C ATOM 727 CG LYS B 28 -0.662 -6.001 -18.682 1.00 0.00 C ATOM 728 CD LYS B 28 -0.975 -4.510 -18.549 1.00 0.00 C ATOM 729 CE LYS B 28 -0.257 -3.738 -19.656 1.00 0.00 C ATOM 730 NZ LYS B 28 0.067 -2.365 -19.175 1.00 0.00 N ATOM 0 H LYS B 28 -0.587 -7.690 -14.735 1.00 0.00 H new ATOM 0 HA LYS B 28 -1.653 -7.890 -17.497 1.00 0.00 H new ATOM 0 HB2 LYS B 28 0.007 -5.708 -16.646 1.00 0.00 H new ATOM 0 HB3 LYS B 28 1.028 -6.782 -17.582 1.00 0.00 H new ATOM 0 HG2 LYS B 28 0.003 -6.170 -19.529 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -1.577 -6.559 -18.879 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.051 -4.346 -18.615 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -0.657 -4.146 -17.572 1.00 0.00 H new ATOM 0 HE2 LYS B 28 0.656 -4.259 -19.944 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.887 -3.685 -20.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.555 -1.840 -19.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.812 -1.870 -18.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 0.684 -2.426 -18.340 1.00 0.00 H new ATOM 744 N PRO B 29 -0.503 -10.096 -16.819 1.00 0.00 N ATOM 745 CA PRO B 29 0.213 -11.382 -16.814 1.00 0.00 C ATOM 746 C PRO B 29 0.682 -11.739 -18.228 1.00 0.00 C ATOM 747 O PRO B 29 0.319 -12.763 -18.773 1.00 0.00 O ATOM 748 CB PRO B 29 -0.842 -12.377 -16.322 1.00 0.00 C ATOM 749 CG PRO B 29 -2.219 -11.734 -16.617 1.00 0.00 C ATOM 750 CD PRO B 29 -1.974 -10.221 -16.772 1.00 0.00 C ATOM 0 HA PRO B 29 1.108 -11.373 -16.191 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -0.742 -13.334 -16.834 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -0.725 -12.572 -15.256 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -2.655 -12.151 -17.525 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -2.921 -11.932 -15.807 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -2.436 -9.834 -17.680 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -2.395 -9.662 -15.937 1.00 0.00 H new ATOM 758 N THR B 30 1.485 -10.901 -18.828 1.00 0.00 N ATOM 759 CA THR B 30 1.973 -11.195 -20.205 1.00 0.00 C ATOM 760 C THR B 30 2.710 -12.536 -20.211 1.00 0.00 C ATOM 761 O THR B 30 3.765 -12.613 -19.602 1.00 0.00 O ATOM 762 CB THR B 30 2.929 -10.086 -20.655 1.00 0.00 C ATOM 763 OG1 THR B 30 3.840 -9.794 -19.606 1.00 0.00 O ATOM 764 CG2 THR B 30 2.129 -8.830 -21.004 1.00 0.00 C ATOM 765 OXT THR B 30 2.207 -13.463 -20.824 1.00 0.00 O ATOM 0 H THR B 30 1.823 -10.027 -18.424 1.00 0.00 H new ATOM 0 HA THR B 30 1.125 -11.244 -20.888 1.00 0.00 H new ATOM 0 HB THR B 30 3.482 -10.417 -21.534 1.00 0.00 H new ATOM 0 HG1 THR B 30 4.158 -10.631 -19.207 1.00 0.00 H new ATOM 0 HG21 THR B 30 2.810 -8.042 -21.324 1.00 0.00 H new ATOM 0 HG22 THR B 30 1.431 -9.056 -21.810 1.00 0.00 H new ATOM 0 HG23 THR B 30 1.575 -8.496 -20.127 1.00 0.00 H new TER 773 THR B 30