USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 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 Single : A 1 GLY N :NH3+ 151:sc= 0.235 (180deg=-2.23) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot -92:sc= 0.649 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00651 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.68 K(o=-1.7,f=-5.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 158:sc= 0.177 USER MOD Single : A 21 ASN : amide:sc= -3.51! C(o=-3.5!,f=-16!) USER MOD Single : B 1 PHE N :NH3+ -158:sc= 0.406 (180deg=-0.522!) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : B 4 GLN : amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 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+ -177:sc= 0 (180deg=-0.00529) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.428 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.142 6.310 6.204 1.00 0.00 N ATOM 2 CA GLY A 1 -6.839 5.353 5.238 1.00 0.00 C ATOM 3 C GLY A 1 -6.022 4.401 4.438 1.00 0.00 C ATOM 4 O GLY A 1 -4.818 4.325 4.581 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.707 7.178 6.301 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.045 5.855 7.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.199 6.550 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.553 4.766 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.416 5.957 4.538 1.00 0.00 H new ATOM 10 N ILE A 2 -6.652 3.655 3.576 1.00 0.00 N ATOM 11 CA ILE A 2 -5.905 2.682 2.742 1.00 0.00 C ATOM 12 C ILE A 2 -5.145 3.429 1.654 1.00 0.00 C ATOM 13 O ILE A 2 -3.936 3.366 1.559 1.00 0.00 O ATOM 14 CB ILE A 2 -6.901 1.713 2.103 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.392 0.728 3.162 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.224 0.941 0.970 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.236 -0.184 3.570 1.00 0.00 C ATOM 0 H ILE A 2 -7.659 3.680 3.414 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.197 2.128 3.358 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.743 2.276 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.770 1.267 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.218 0.135 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.940 0.253 0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.869 1.641 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.380 0.378 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.579 -0.890 4.326 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.879 -0.731 2.698 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.424 0.418 3.978 1.00 0.00 H new ATOM 29 N VAL A 3 -5.857 4.132 0.836 1.00 0.00 N ATOM 30 CA VAL A 3 -5.205 4.897 -0.264 1.00 0.00 C ATOM 31 C VAL A 3 -4.947 6.332 0.185 1.00 0.00 C ATOM 32 O VAL A 3 -3.959 6.938 -0.175 1.00 0.00 O ATOM 33 CB VAL A 3 -6.120 4.901 -1.491 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.439 5.646 -2.640 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.396 3.459 -1.919 1.00 0.00 C ATOM 0 H VAL A 3 -6.873 4.215 0.876 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.255 4.426 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.057 5.399 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.093 5.647 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.236 6.673 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.502 5.150 -2.891 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.048 3.457 -2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.456 2.967 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.882 2.924 -1.103 1.00 0.00 H new ATOM 45 N GLU A 4 -5.826 6.878 0.969 1.00 0.00 N ATOM 46 CA GLU A 4 -5.644 8.272 1.443 1.00 0.00 C ATOM 47 C GLU A 4 -4.340 8.393 2.235 1.00 0.00 C ATOM 48 O GLU A 4 -3.878 9.479 2.524 1.00 0.00 O ATOM 49 CB GLU A 4 -6.826 8.644 2.335 1.00 0.00 C ATOM 50 CG GLU A 4 -6.669 7.981 3.700 1.00 0.00 C ATOM 51 CD GLU A 4 -6.191 9.011 4.723 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.575 9.983 4.315 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.449 8.812 5.899 1.00 0.00 O ATOM 0 H GLU A 4 -6.670 6.415 1.305 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.595 8.946 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.881 9.727 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.759 8.325 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.620 7.553 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.955 7.160 3.636 1.00 0.00 H new ATOM 60 N GLN A 5 -3.746 7.289 2.599 1.00 0.00 N ATOM 61 CA GLN A 5 -2.479 7.354 3.380 1.00 0.00 C ATOM 62 C GLN A 5 -1.279 7.225 2.442 1.00 0.00 C ATOM 63 O GLN A 5 -0.367 8.026 2.475 1.00 0.00 O ATOM 64 CB GLN A 5 -2.454 6.215 4.404 1.00 0.00 C ATOM 65 CG GLN A 5 -1.199 6.331 5.273 1.00 0.00 C ATOM 66 CD GLN A 5 -1.497 5.791 6.674 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.300 4.622 6.941 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.967 6.598 7.585 1.00 0.00 N ATOM 0 H GLN A 5 -4.082 6.349 2.390 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.425 8.312 3.896 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.346 6.255 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.466 5.253 3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.379 5.772 4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.880 7.372 5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.132 7.579 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.169 6.248 8.521 1.00 0.00 H new ATOM 77 N CYS A 6 -1.265 6.220 1.614 1.00 0.00 N ATOM 78 CA CYS A 6 -0.115 6.043 0.686 1.00 0.00 C ATOM 79 C CYS A 6 -0.331 6.869 -0.580 1.00 0.00 C ATOM 80 O CYS A 6 0.602 7.181 -1.290 1.00 0.00 O ATOM 81 CB CYS A 6 0.018 4.567 0.308 1.00 0.00 C ATOM 82 SG CYS A 6 0.638 3.629 1.726 1.00 0.00 S ATOM 0 H CYS A 6 -1.998 5.515 1.539 1.00 0.00 H new ATOM 0 HA CYS A 6 0.795 6.379 1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.949 4.173 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.697 4.458 -0.538 1.00 0.00 H new ATOM 87 N CYS A 7 -1.547 7.232 -0.879 1.00 0.00 N ATOM 88 CA CYS A 7 -1.780 8.036 -2.110 1.00 0.00 C ATOM 89 C CYS A 7 -1.220 9.441 -1.905 1.00 0.00 C ATOM 90 O CYS A 7 -0.381 9.900 -2.653 1.00 0.00 O ATOM 91 CB CYS A 7 -3.275 8.120 -2.416 1.00 0.00 C ATOM 92 SG CYS A 7 -3.526 9.247 -3.806 1.00 0.00 S ATOM 0 H CYS A 7 -2.379 7.010 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.278 7.556 -2.950 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.667 7.132 -2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.820 8.474 -1.541 1.00 0.00 H new ATOM 97 N THR A 8 -1.671 10.126 -0.894 1.00 0.00 N ATOM 98 CA THR A 8 -1.154 11.496 -0.640 1.00 0.00 C ATOM 99 C THR A 8 0.256 11.392 -0.055 1.00 0.00 C ATOM 100 O THR A 8 0.606 10.408 0.566 1.00 0.00 O ATOM 101 CB THR A 8 -2.078 12.215 0.347 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.179 11.451 1.540 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.465 12.374 -0.279 1.00 0.00 C ATOM 0 H THR A 8 -2.375 9.796 -0.233 1.00 0.00 H new ATOM 0 HA THR A 8 -1.122 12.062 -1.571 1.00 0.00 H new ATOM 0 HB THR A 8 -1.671 13.199 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.949 10.848 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.124 12.886 0.422 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.386 12.959 -1.195 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.875 11.391 -0.511 1.00 0.00 H new ATOM 111 N SER A 9 1.074 12.386 -0.256 1.00 0.00 N ATOM 112 CA SER A 9 2.460 12.322 0.283 1.00 0.00 C ATOM 113 C SER A 9 3.161 11.093 -0.298 1.00 0.00 C ATOM 114 O SER A 9 2.722 10.529 -1.278 1.00 0.00 O ATOM 115 CB SER A 9 2.414 12.212 1.807 1.00 0.00 C ATOM 116 OG SER A 9 2.928 13.407 2.379 1.00 0.00 O ATOM 0 H SER A 9 0.844 13.237 -0.768 1.00 0.00 H new ATOM 0 HA SER A 9 3.005 13.224 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.390 12.047 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.000 11.355 2.139 1.00 0.00 H new ATOM 0 HG SER A 9 2.898 13.341 3.356 1.00 0.00 H new ATOM 122 N ILE A 10 4.243 10.674 0.296 1.00 0.00 N ATOM 123 CA ILE A 10 4.971 9.480 -0.227 1.00 0.00 C ATOM 124 C ILE A 10 4.876 8.341 0.793 1.00 0.00 C ATOM 125 O ILE A 10 5.184 8.511 1.957 1.00 0.00 O ATOM 126 CB ILE A 10 6.448 9.827 -0.472 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.843 11.053 0.359 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.666 10.126 -1.959 1.00 0.00 C ATOM 129 CD1 ILE A 10 6.248 12.314 -0.270 1.00 0.00 C ATOM 0 H ILE A 10 4.657 11.106 1.122 1.00 0.00 H new ATOM 0 HA ILE A 10 4.519 9.170 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 10 7.066 8.980 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.485 10.942 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.929 11.137 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.714 10.372 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.397 9.250 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.042 10.969 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.530 13.184 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.628 12.428 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.162 12.230 -0.296 1.00 0.00 H new ATOM 141 N CYS A 11 4.443 7.182 0.371 1.00 0.00 N ATOM 142 CA CYS A 11 4.322 6.042 1.327 1.00 0.00 C ATOM 143 C CYS A 11 5.602 5.203 1.305 1.00 0.00 C ATOM 144 O CYS A 11 6.322 5.173 0.326 1.00 0.00 O ATOM 145 CB CYS A 11 3.137 5.155 0.932 1.00 0.00 C ATOM 146 SG CYS A 11 2.193 4.719 2.416 1.00 0.00 S ATOM 0 H CYS A 11 4.169 6.976 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 11 4.164 6.441 2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.498 5.678 0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.493 4.252 0.436 1.00 0.00 H new ATOM 151 N SER A 12 5.885 4.512 2.377 1.00 0.00 N ATOM 152 CA SER A 12 7.107 3.662 2.419 1.00 0.00 C ATOM 153 C SER A 12 6.744 2.250 1.958 1.00 0.00 C ATOM 154 O SER A 12 5.869 1.617 2.504 1.00 0.00 O ATOM 155 CB SER A 12 7.657 3.615 3.845 1.00 0.00 C ATOM 156 OG SER A 12 7.207 4.757 4.560 1.00 0.00 O ATOM 0 H SER A 12 5.320 4.501 3.226 1.00 0.00 H new ATOM 0 HA SER A 12 7.869 4.080 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.326 2.705 4.345 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.747 3.590 3.826 1.00 0.00 H new ATOM 0 HG SER A 12 7.557 4.729 5.475 1.00 0.00 H new ATOM 162 N LEU A 13 7.399 1.753 0.948 1.00 0.00 N ATOM 163 CA LEU A 13 7.073 0.386 0.451 1.00 0.00 C ATOM 164 C LEU A 13 6.924 -0.576 1.621 1.00 0.00 C ATOM 165 O LEU A 13 6.153 -1.512 1.577 1.00 0.00 O ATOM 166 CB LEU A 13 8.188 -0.094 -0.476 1.00 0.00 C ATOM 167 CG LEU A 13 7.745 0.104 -1.921 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.119 1.493 -2.075 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.951 -0.020 -2.854 1.00 0.00 C ATOM 0 H LEU A 13 8.145 2.232 0.445 1.00 0.00 H new ATOM 0 HA LEU A 13 6.131 0.418 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.105 0.463 -0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.408 -1.145 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 13 7.011 -0.659 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.802 1.637 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.256 1.578 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.853 2.254 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.629 0.122 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.690 0.739 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.395 -1.010 -2.746 1.00 0.00 H new ATOM 181 N TYR A 14 7.646 -0.345 2.668 1.00 0.00 N ATOM 182 CA TYR A 14 7.538 -1.241 3.852 1.00 0.00 C ATOM 183 C TYR A 14 6.179 -1.016 4.508 1.00 0.00 C ATOM 184 O TYR A 14 5.595 -1.912 5.085 1.00 0.00 O ATOM 185 CB TYR A 14 8.644 -0.919 4.859 1.00 0.00 C ATOM 186 CG TYR A 14 8.448 -1.767 6.093 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.466 -1.423 7.032 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.244 -2.901 6.296 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.280 -2.213 8.174 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.058 -3.693 7.438 1.00 0.00 C ATOM 191 CZ TYR A 14 8.077 -3.348 8.378 1.00 0.00 C ATOM 192 OH TYR A 14 7.894 -4.127 9.502 1.00 0.00 O ATOM 0 H TYR A 14 8.309 0.424 2.762 1.00 0.00 H new ATOM 0 HA TYR A 14 7.641 -2.279 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.622 -1.115 4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.618 0.139 5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.852 -0.548 6.875 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.001 -3.166 5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.523 -1.948 8.897 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.671 -4.569 7.593 1.00 0.00 H new ATOM 0 HH TYR A 14 8.527 -4.875 9.488 1.00 0.00 H new ATOM 202 N GLN A 15 5.661 0.174 4.396 1.00 0.00 N ATOM 203 CA GLN A 15 4.330 0.471 4.990 1.00 0.00 C ATOM 204 C GLN A 15 3.277 -0.136 4.081 1.00 0.00 C ATOM 205 O GLN A 15 2.245 -0.610 4.512 1.00 0.00 O ATOM 206 CB GLN A 15 4.139 1.989 5.062 1.00 0.00 C ATOM 207 CG GLN A 15 4.635 2.544 6.408 1.00 0.00 C ATOM 208 CD GLN A 15 5.768 1.678 6.978 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.880 1.712 6.489 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.527 0.901 7.999 1.00 0.00 N ATOM 0 H GLN A 15 6.105 0.957 3.916 1.00 0.00 H new ATOM 0 HA GLN A 15 4.249 0.057 5.995 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.681 2.466 4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.085 2.233 4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.986 3.567 6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.808 2.580 7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.594 0.873 8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.272 0.322 8.387 1.00 0.00 H new ATOM 219 N LEU A 16 3.561 -0.138 2.817 1.00 0.00 N ATOM 220 CA LEU A 16 2.625 -0.723 1.833 1.00 0.00 C ATOM 221 C LEU A 16 2.644 -2.244 1.991 1.00 0.00 C ATOM 222 O LEU A 16 1.683 -2.923 1.704 1.00 0.00 O ATOM 223 CB LEU A 16 3.094 -0.337 0.428 1.00 0.00 C ATOM 224 CG LEU A 16 1.962 -0.554 -0.579 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.895 0.524 -0.396 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.520 -0.471 -2.000 1.00 0.00 C ATOM 0 H LEU A 16 4.417 0.248 2.418 1.00 0.00 H new ATOM 0 HA LEU A 16 1.612 -0.354 1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.409 0.706 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.961 -0.935 0.148 1.00 0.00 H new ATOM 0 HG LEU A 16 1.519 -1.536 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.091 0.366 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.493 0.470 0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.339 1.506 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.714 -0.626 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.964 0.511 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.280 -1.240 -2.138 1.00 0.00 H new ATOM 238 N GLU A 17 3.738 -2.784 2.459 1.00 0.00 N ATOM 239 CA GLU A 17 3.824 -4.260 2.639 1.00 0.00 C ATOM 240 C GLU A 17 2.663 -4.740 3.507 1.00 0.00 C ATOM 241 O GLU A 17 2.148 -5.829 3.338 1.00 0.00 O ATOM 242 CB GLU A 17 5.151 -4.610 3.317 1.00 0.00 C ATOM 243 CG GLU A 17 5.246 -6.123 3.513 1.00 0.00 C ATOM 244 CD GLU A 17 6.018 -6.738 2.344 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.783 -6.020 1.722 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.829 -7.916 2.089 1.00 0.00 O ATOM 0 H GLU A 17 4.575 -2.265 2.724 1.00 0.00 H new ATOM 0 HA GLU A 17 3.771 -4.749 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.985 -4.259 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.223 -4.104 4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.748 -6.348 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.248 -6.557 3.573 1.00 0.00 H new ATOM 253 N ASN A 18 2.248 -3.930 4.435 1.00 0.00 N ATOM 254 CA ASN A 18 1.122 -4.322 5.329 1.00 0.00 C ATOM 255 C ASN A 18 -0.213 -4.181 4.590 1.00 0.00 C ATOM 256 O ASN A 18 -1.269 -4.332 5.170 1.00 0.00 O ATOM 257 CB ASN A 18 1.121 -3.421 6.566 1.00 0.00 C ATOM 258 CG ASN A 18 1.173 -4.284 7.827 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.231 -4.512 8.379 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.067 -4.782 8.309 1.00 0.00 N ATOM 0 H ASN A 18 2.641 -3.006 4.616 1.00 0.00 H new ATOM 0 HA ASN A 18 1.250 -5.362 5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.977 -2.747 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.226 -2.799 6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.092 -5.362 9.148 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.822 -4.592 7.847 1.00 0.00 H new ATOM 267 N TYR A 19 -0.181 -3.895 3.315 1.00 0.00 N ATOM 268 CA TYR A 19 -1.456 -3.753 2.556 1.00 0.00 C ATOM 269 C TYR A 19 -1.758 -5.055 1.817 1.00 0.00 C ATOM 270 O TYR A 19 -2.861 -5.282 1.363 1.00 0.00 O ATOM 271 CB TYR A 19 -1.326 -2.615 1.545 1.00 0.00 C ATOM 272 CG TYR A 19 -1.647 -1.297 2.225 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.890 -0.867 3.330 1.00 0.00 C ATOM 274 CD2 TYR A 19 -2.701 -0.497 1.755 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.189 0.350 3.955 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.996 0.718 2.381 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.239 1.143 3.480 1.00 0.00 C ATOM 278 OH TYR A 19 -2.531 2.342 4.097 1.00 0.00 O ATOM 0 H TYR A 19 0.669 -3.754 2.769 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.266 -3.532 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.315 -2.590 1.137 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.004 -2.779 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.077 -1.476 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.286 -0.821 0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.608 0.677 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.808 1.329 2.017 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.018 2.921 3.474 1.00 0.00 H new ATOM 288 N CYS A 20 -0.786 -5.916 1.690 1.00 0.00 N ATOM 289 CA CYS A 20 -1.026 -7.203 0.979 1.00 0.00 C ATOM 290 C CYS A 20 -1.522 -8.249 1.979 1.00 0.00 C ATOM 291 O CYS A 20 -0.954 -8.429 3.038 1.00 0.00 O ATOM 292 CB CYS A 20 0.270 -7.676 0.328 1.00 0.00 C ATOM 293 SG CYS A 20 1.425 -8.235 1.601 1.00 0.00 S ATOM 0 H CYS A 20 0.161 -5.785 2.046 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.780 -7.060 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.062 -8.487 -0.370 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.715 -6.865 -0.249 1.00 0.00 H new ATOM 298 N ASN A 21 -2.582 -8.937 1.652 1.00 0.00 N ATOM 299 CA ASN A 21 -3.121 -9.967 2.586 1.00 0.00 C ATOM 300 C ASN A 21 -1.980 -10.865 3.069 1.00 0.00 C ATOM 301 O ASN A 21 -0.986 -11.136 2.388 1.00 0.00 O ATOM 302 CB ASN A 21 -4.165 -10.822 1.863 1.00 0.00 C ATOM 303 CG ASN A 21 -5.072 -9.924 1.020 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.903 -8.721 0.993 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.037 -10.461 0.326 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.109 -11.324 4.223 1.00 0.00 O ATOM 0 H ASN A 21 -3.098 -8.831 0.779 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.584 -9.472 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.671 -11.556 1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.760 -11.378 2.588 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.649 -9.871 -0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.180 -11.471 0.348 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.238 5.343 -1.130 1.00 0.00 N ATOM 315 CA PHE B 1 11.466 5.040 -1.917 1.00 0.00 C ATOM 316 C PHE B 1 11.933 6.306 -2.641 1.00 0.00 C ATOM 317 O PHE B 1 13.102 6.640 -2.631 1.00 0.00 O ATOM 318 CB PHE B 1 11.201 3.897 -2.916 1.00 0.00 C ATOM 319 CG PHE B 1 9.879 4.087 -3.632 1.00 0.00 C ATOM 320 CD1 PHE B 1 8.666 3.995 -2.931 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.870 4.349 -5.007 1.00 0.00 C ATOM 322 CE1 PHE B 1 7.452 4.170 -3.607 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.655 4.522 -5.683 1.00 0.00 C ATOM 324 CZ PHE B 1 7.446 4.434 -4.982 1.00 0.00 C ATOM 0 H1 PHE B 1 10.130 4.640 -0.371 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.318 6.293 -0.714 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.408 5.308 -1.755 1.00 0.00 H new ATOM 0 HA PHE B 1 12.255 4.711 -1.241 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.009 3.854 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.197 2.943 -2.388 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.669 3.789 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.802 4.418 -5.548 1.00 0.00 H new ATOM 0 HE1 PHE B 1 6.519 4.101 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.651 4.723 -6.744 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.509 4.570 -5.502 1.00 0.00 H new ATOM 336 N VAL B 2 11.032 7.032 -3.239 1.00 0.00 N ATOM 337 CA VAL B 2 11.431 8.299 -3.929 1.00 0.00 C ATOM 338 C VAL B 2 10.330 9.344 -3.735 1.00 0.00 C ATOM 339 O VAL B 2 9.333 9.103 -3.083 1.00 0.00 O ATOM 340 CB VAL B 2 11.717 8.058 -5.439 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.595 6.576 -5.773 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.746 8.837 -6.342 1.00 0.00 C ATOM 0 H VAL B 2 10.038 6.808 -3.283 1.00 0.00 H new ATOM 0 HA VAL B 2 12.357 8.667 -3.487 1.00 0.00 H new ATOM 0 HB VAL B 2 12.732 8.410 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.798 6.424 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.314 6.009 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.586 6.233 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.983 8.639 -7.387 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.724 8.521 -6.135 1.00 0.00 H new ATOM 0 HG23 VAL B 2 10.842 9.905 -6.144 1.00 0.00 H new ATOM 352 N ASN B 3 10.513 10.503 -4.294 1.00 0.00 N ATOM 353 CA ASN B 3 9.492 11.577 -4.145 1.00 0.00 C ATOM 354 C ASN B 3 8.241 11.236 -4.960 1.00 0.00 C ATOM 355 O ASN B 3 7.819 11.999 -5.806 1.00 0.00 O ATOM 356 CB ASN B 3 10.074 12.896 -4.650 1.00 0.00 C ATOM 357 CG ASN B 3 10.389 13.806 -3.463 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.023 13.392 -2.513 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.970 15.042 -3.479 1.00 0.00 N ATOM 0 H ASN B 3 11.329 10.756 -4.851 1.00 0.00 H new ATOM 0 HA ASN B 3 9.219 11.665 -3.093 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.979 12.708 -5.227 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.366 13.385 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.175 15.660 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.438 15.390 -4.277 1.00 0.00 H new ATOM 366 N GLN B 4 7.637 10.104 -4.717 1.00 0.00 N ATOM 367 CA GLN B 4 6.412 9.748 -5.491 1.00 0.00 C ATOM 368 C GLN B 4 5.301 9.290 -4.551 1.00 0.00 C ATOM 369 O GLN B 4 5.523 8.541 -3.622 1.00 0.00 O ATOM 370 CB GLN B 4 6.719 8.623 -6.478 1.00 0.00 C ATOM 371 CG GLN B 4 6.937 9.216 -7.868 1.00 0.00 C ATOM 372 CD GLN B 4 7.881 8.313 -8.664 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.761 8.789 -9.351 1.00 0.00 O ATOM 374 NE2 GLN B 4 7.733 7.017 -8.599 1.00 0.00 N ATOM 0 H GLN B 4 7.934 9.417 -4.024 1.00 0.00 H new ATOM 0 HA GLN B 4 6.086 10.635 -6.034 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.607 8.077 -6.160 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.896 7.908 -6.500 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.984 9.312 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.358 10.218 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.994 6.616 -8.022 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.357 6.405 -9.125 1.00 0.00 H new ATOM 383 N ALA B 5 4.099 9.725 -4.803 1.00 0.00 N ATOM 384 CA ALA B 5 2.960 9.307 -3.941 1.00 0.00 C ATOM 385 C ALA B 5 2.583 7.867 -4.282 1.00 0.00 C ATOM 386 O ALA B 5 3.269 7.201 -5.032 1.00 0.00 O ATOM 387 CB ALA B 5 1.762 10.224 -4.193 1.00 0.00 C ATOM 0 H ALA B 5 3.856 10.353 -5.569 1.00 0.00 H new ATOM 0 HA ALA B 5 3.247 9.375 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA B 5 0.929 9.916 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA B 5 2.035 11.253 -3.958 1.00 0.00 H new ATOM 0 HB3 ALA B 5 1.467 10.157 -5.240 1.00 0.00 H new ATOM 393 N LEU B 6 1.503 7.374 -3.744 1.00 0.00 N ATOM 394 CA LEU B 6 1.108 5.973 -4.054 1.00 0.00 C ATOM 395 C LEU B 6 -0.389 5.909 -4.376 1.00 0.00 C ATOM 396 O LEU B 6 -1.194 5.518 -3.555 1.00 0.00 O ATOM 397 CB LEU B 6 1.425 5.076 -2.855 1.00 0.00 C ATOM 398 CG LEU B 6 2.459 4.028 -3.266 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.852 3.105 -4.322 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.690 4.724 -3.852 1.00 0.00 C ATOM 0 H LEU B 6 0.882 7.875 -3.109 1.00 0.00 H new ATOM 0 HA LEU B 6 1.668 5.625 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.807 5.676 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU B 6 0.517 4.588 -2.501 1.00 0.00 H new ATOM 0 HG LEU B 6 2.752 3.446 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.587 2.356 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.974 2.608 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.561 3.691 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.426 3.975 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.397 5.306 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.124 5.387 -3.103 1.00 0.00 H new ATOM 412 N CYS B 7 -0.767 6.288 -5.570 1.00 0.00 N ATOM 413 CA CYS B 7 -2.211 6.245 -5.947 1.00 0.00 C ATOM 414 C CYS B 7 -2.395 5.387 -7.205 1.00 0.00 C ATOM 415 O CYS B 7 -1.475 5.191 -7.976 1.00 0.00 O ATOM 416 CB CYS B 7 -2.710 7.663 -6.240 1.00 0.00 C ATOM 417 SG CYS B 7 -1.994 8.823 -5.051 1.00 0.00 S ATOM 0 H CYS B 7 -0.138 6.625 -6.299 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.778 5.815 -5.121 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.436 7.952 -7.254 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.798 7.695 -6.183 1.00 0.00 H new ATOM 422 N GLY B 8 -3.582 4.889 -7.427 1.00 0.00 N ATOM 423 CA GLY B 8 -3.838 4.060 -8.643 1.00 0.00 C ATOM 424 C GLY B 8 -3.021 2.767 -8.593 1.00 0.00 C ATOM 425 O GLY B 8 -2.557 2.350 -7.550 1.00 0.00 O ATOM 0 H GLY B 8 -4.389 5.021 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.900 3.824 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.579 4.626 -9.537 1.00 0.00 H new ATOM 429 N SER B 9 -2.848 2.129 -9.722 1.00 0.00 N ATOM 430 CA SER B 9 -2.068 0.859 -9.759 1.00 0.00 C ATOM 431 C SER B 9 -0.718 1.067 -9.077 1.00 0.00 C ATOM 432 O SER B 9 -0.076 0.128 -8.649 1.00 0.00 O ATOM 433 CB SER B 9 -1.842 0.441 -11.213 1.00 0.00 C ATOM 434 OG SER B 9 -3.096 0.346 -11.874 1.00 0.00 O ATOM 0 H SER B 9 -3.216 2.436 -10.623 1.00 0.00 H new ATOM 0 HA SER B 9 -2.623 0.080 -9.237 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.206 1.168 -11.718 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.324 -0.517 -11.252 1.00 0.00 H new ATOM 0 HG SER B 9 -2.955 0.080 -12.807 1.00 0.00 H new ATOM 440 N ASP B 10 -0.280 2.285 -8.959 1.00 0.00 N ATOM 441 CA ASP B 10 1.024 2.526 -8.290 1.00 0.00 C ATOM 442 C ASP B 10 1.043 1.726 -6.988 1.00 0.00 C ATOM 443 O ASP B 10 2.059 1.195 -6.584 1.00 0.00 O ATOM 444 CB ASP B 10 1.185 4.014 -7.994 1.00 0.00 C ATOM 445 CG ASP B 10 1.140 4.803 -9.303 1.00 0.00 C ATOM 446 OD1 ASP B 10 0.293 4.499 -10.127 1.00 0.00 O ATOM 447 OD2 ASP B 10 1.956 5.697 -9.461 1.00 0.00 O ATOM 0 H ASP B 10 -0.763 3.118 -9.294 1.00 0.00 H new ATOM 0 HA ASP B 10 1.846 2.213 -8.934 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.392 4.351 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.130 4.193 -7.481 1.00 0.00 H new ATOM 452 N LEU B 11 -0.088 1.614 -6.343 1.00 0.00 N ATOM 453 CA LEU B 11 -0.159 0.824 -5.084 1.00 0.00 C ATOM 454 C LEU B 11 -0.040 -0.649 -5.434 1.00 0.00 C ATOM 455 O LEU B 11 0.950 -1.296 -5.159 1.00 0.00 O ATOM 456 CB LEU B 11 -1.507 1.048 -4.401 1.00 0.00 C ATOM 457 CG LEU B 11 -1.574 2.453 -3.812 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.020 2.949 -3.836 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.075 2.409 -2.369 1.00 0.00 C ATOM 0 H LEU B 11 -0.968 2.038 -6.637 1.00 0.00 H new ATOM 0 HA LEU B 11 0.644 1.134 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.314 0.909 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.651 0.309 -3.613 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.952 3.129 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.067 3.953 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.381 2.969 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.645 2.278 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.119 3.409 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.704 1.735 -1.787 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.046 2.051 -2.351 1.00 0.00 H new ATOM 471 N VAL B 12 -1.056 -1.177 -6.047 1.00 0.00 N ATOM 472 CA VAL B 12 -1.028 -2.608 -6.431 1.00 0.00 C ATOM 473 C VAL B 12 0.317 -2.921 -7.075 1.00 0.00 C ATOM 474 O VAL B 12 0.944 -3.895 -6.756 1.00 0.00 O ATOM 475 CB VAL B 12 -2.154 -2.906 -7.418 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.458 -2.284 -6.920 1.00 0.00 C ATOM 477 CG2 VAL B 12 -1.807 -2.336 -8.793 1.00 0.00 C ATOM 0 H VAL B 12 -1.908 -0.676 -6.299 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.166 -3.227 -5.544 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.277 -3.986 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.258 -2.500 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.712 -2.703 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.335 -1.205 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.615 -2.553 -9.491 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.673 -1.257 -8.716 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.884 -2.791 -9.153 1.00 0.00 H new ATOM 487 N GLU B 13 0.772 -2.098 -7.973 1.00 0.00 N ATOM 488 CA GLU B 13 2.087 -2.373 -8.615 1.00 0.00 C ATOM 489 C GLU B 13 3.164 -2.458 -7.531 1.00 0.00 C ATOM 490 O GLU B 13 4.042 -3.302 -7.573 1.00 0.00 O ATOM 491 CB GLU B 13 2.424 -1.241 -9.587 1.00 0.00 C ATOM 492 CG GLU B 13 1.961 -1.622 -10.994 1.00 0.00 C ATOM 493 CD GLU B 13 3.148 -2.159 -11.795 1.00 0.00 C ATOM 494 OE1 GLU B 13 3.946 -1.353 -12.246 1.00 0.00 O ATOM 495 OE2 GLU B 13 3.240 -3.366 -11.944 1.00 0.00 O ATOM 0 H GLU B 13 0.297 -1.253 -8.290 1.00 0.00 H new ATOM 0 HA GLU B 13 2.043 -3.315 -9.161 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.938 -0.318 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.498 -1.053 -9.584 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.176 -2.376 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.534 -0.753 -11.495 1.00 0.00 H new ATOM 502 N ALA B 14 3.095 -1.598 -6.551 1.00 0.00 N ATOM 503 CA ALA B 14 4.111 -1.631 -5.458 1.00 0.00 C ATOM 504 C ALA B 14 3.766 -2.765 -4.501 1.00 0.00 C ATOM 505 O ALA B 14 4.620 -3.335 -3.851 1.00 0.00 O ATOM 506 CB ALA B 14 4.105 -0.297 -4.706 1.00 0.00 C ATOM 0 H ALA B 14 2.381 -0.875 -6.459 1.00 0.00 H new ATOM 0 HA ALA B 14 5.103 -1.793 -5.879 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.848 -0.325 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.345 0.511 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.118 -0.126 -4.276 1.00 0.00 H new ATOM 512 N LEU B 15 2.514 -3.105 -4.431 1.00 0.00 N ATOM 513 CA LEU B 15 2.077 -4.215 -3.544 1.00 0.00 C ATOM 514 C LEU B 15 2.307 -5.529 -4.275 1.00 0.00 C ATOM 515 O LEU B 15 2.866 -6.474 -3.761 1.00 0.00 O ATOM 516 CB LEU B 15 0.590 -4.066 -3.271 1.00 0.00 C ATOM 517 CG LEU B 15 0.375 -3.030 -2.193 1.00 0.00 C ATOM 518 CD1 LEU B 15 -0.941 -2.316 -2.464 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.325 -3.727 -0.840 1.00 0.00 C ATOM 0 H LEU B 15 1.764 -2.656 -4.957 1.00 0.00 H new ATOM 0 HA LEU B 15 2.634 -4.195 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.070 -3.771 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.169 -5.022 -2.960 1.00 0.00 H new ATOM 0 HG LEU B 15 1.188 -2.304 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.112 -1.564 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.899 -1.833 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.756 -3.039 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.170 -2.987 -0.055 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.496 -4.444 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.265 -4.250 -0.665 1.00 0.00 H new ATOM 531 N TYR B 16 1.879 -5.578 -5.491 1.00 0.00 N ATOM 532 CA TYR B 16 2.063 -6.794 -6.305 1.00 0.00 C ATOM 533 C TYR B 16 3.516 -7.198 -6.248 1.00 0.00 C ATOM 534 O TYR B 16 3.867 -8.343 -6.450 1.00 0.00 O ATOM 535 CB TYR B 16 1.731 -6.473 -7.753 1.00 0.00 C ATOM 536 CG TYR B 16 0.382 -7.015 -8.089 1.00 0.00 C ATOM 537 CD1 TYR B 16 0.028 -8.305 -7.690 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.514 -6.217 -8.794 1.00 0.00 C ATOM 539 CE1 TYR B 16 -1.246 -8.803 -8.004 1.00 0.00 C ATOM 540 CE2 TYR B 16 -1.787 -6.707 -9.112 1.00 0.00 C ATOM 541 CZ TYR B 16 -2.156 -8.002 -8.715 1.00 0.00 C ATOM 542 OH TYR B 16 -3.410 -8.489 -9.024 1.00 0.00 O ATOM 0 H TYR B 16 1.400 -4.813 -5.965 1.00 0.00 H new ATOM 0 HA TYR B 16 1.421 -7.590 -5.929 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.750 -5.395 -7.911 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.483 -6.905 -8.413 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.730 -8.916 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.228 -5.220 -9.096 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.527 -9.800 -7.700 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.483 -6.090 -9.661 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.913 -7.808 -9.517 1.00 0.00 H new ATOM 552 N LEU B 17 4.372 -6.255 -6.008 1.00 0.00 N ATOM 553 CA LEU B 17 5.806 -6.589 -5.985 1.00 0.00 C ATOM 554 C LEU B 17 6.237 -7.015 -4.581 1.00 0.00 C ATOM 555 O LEU B 17 6.972 -7.968 -4.411 1.00 0.00 O ATOM 556 CB LEU B 17 6.626 -5.378 -6.431 1.00 0.00 C ATOM 557 CG LEU B 17 7.143 -5.604 -7.852 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.962 -5.674 -8.822 1.00 0.00 C ATOM 559 CD2 LEU B 17 8.059 -4.445 -8.249 1.00 0.00 C ATOM 0 H LEU B 17 4.141 -5.278 -5.829 1.00 0.00 H new ATOM 0 HA LEU B 17 5.981 -7.419 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.013 -4.478 -6.395 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.462 -5.221 -5.750 1.00 0.00 H new ATOM 0 HG LEU B 17 7.700 -6.540 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.332 -5.835 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.307 -6.498 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.404 -4.738 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.429 -4.604 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.501 -3.510 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.901 -4.394 -7.559 1.00 0.00 H new ATOM 571 N VAL B 18 5.796 -6.316 -3.572 1.00 0.00 N ATOM 572 CA VAL B 18 6.200 -6.694 -2.186 1.00 0.00 C ATOM 573 C VAL B 18 5.561 -8.035 -1.824 1.00 0.00 C ATOM 574 O VAL B 18 6.215 -8.920 -1.309 1.00 0.00 O ATOM 575 CB VAL B 18 5.775 -5.611 -1.187 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.732 -4.422 -1.291 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.361 -5.142 -1.491 1.00 0.00 C ATOM 0 H VAL B 18 5.179 -5.507 -3.644 1.00 0.00 H new ATOM 0 HA VAL B 18 7.285 -6.787 -2.140 1.00 0.00 H new ATOM 0 HB VAL B 18 5.805 -6.027 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.432 -3.650 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.746 -4.750 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.701 -4.017 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.071 -4.373 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.323 -4.731 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.674 -5.985 -1.416 1.00 0.00 H new ATOM 587 N CYS B 19 4.298 -8.209 -2.106 1.00 0.00 N ATOM 588 CA CYS B 19 3.654 -9.513 -1.792 1.00 0.00 C ATOM 589 C CYS B 19 3.452 -10.291 -3.090 1.00 0.00 C ATOM 590 O CYS B 19 3.911 -11.406 -3.240 1.00 0.00 O ATOM 591 CB CYS B 19 2.307 -9.294 -1.095 1.00 0.00 C ATOM 592 SG CYS B 19 2.492 -9.670 0.668 1.00 0.00 S ATOM 0 H CYS B 19 3.691 -7.511 -2.536 1.00 0.00 H new ATOM 0 HA CYS B 19 4.297 -10.079 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.976 -8.264 -1.228 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.544 -9.934 -1.539 1.00 0.00 H new ATOM 597 N GLY B 20 2.782 -9.699 -4.032 1.00 0.00 N ATOM 598 CA GLY B 20 2.549 -10.378 -5.339 1.00 0.00 C ATOM 599 C GLY B 20 1.865 -11.728 -5.119 1.00 0.00 C ATOM 600 O GLY B 20 2.426 -12.630 -4.530 1.00 0.00 O ATOM 0 H GLY B 20 2.380 -8.765 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.930 -9.749 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.498 -10.523 -5.856 1.00 0.00 H new ATOM 604 N GLU B 21 0.658 -11.874 -5.597 1.00 0.00 N ATOM 605 CA GLU B 21 -0.068 -13.166 -5.425 1.00 0.00 C ATOM 606 C GLU B 21 -0.630 -13.261 -4.004 1.00 0.00 C ATOM 607 O GLU B 21 -1.347 -14.183 -3.671 1.00 0.00 O ATOM 608 CB GLU B 21 0.895 -14.331 -5.677 1.00 0.00 C ATOM 609 CG GLU B 21 0.097 -15.592 -6.019 1.00 0.00 C ATOM 610 CD GLU B 21 -0.061 -15.705 -7.538 1.00 0.00 C ATOM 611 OE1 GLU B 21 -0.019 -14.679 -8.196 1.00 0.00 O ATOM 612 OE2 GLU B 21 -0.221 -16.816 -8.016 1.00 0.00 O ATOM 0 H GLU B 21 0.142 -11.152 -6.100 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.891 -13.214 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU B 21 1.573 -14.085 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.510 -14.506 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.607 -16.473 -5.630 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.883 -15.554 -5.543 1.00 0.00 H new ATOM 619 N ARG B 22 -0.315 -12.312 -3.163 1.00 0.00 N ATOM 620 CA ARG B 22 -0.839 -12.358 -1.767 1.00 0.00 C ATOM 621 C ARG B 22 -2.094 -11.490 -1.666 1.00 0.00 C ATOM 622 O ARG B 22 -2.633 -11.286 -0.596 1.00 0.00 O ATOM 623 CB ARG B 22 0.217 -11.837 -0.791 1.00 0.00 C ATOM 624 CG ARG B 22 1.606 -12.309 -1.231 1.00 0.00 C ATOM 625 CD ARG B 22 1.853 -13.720 -0.698 1.00 0.00 C ATOM 626 NE ARG B 22 3.316 -13.924 -0.505 1.00 0.00 N ATOM 627 CZ ARG B 22 3.745 -14.802 0.360 1.00 0.00 C ATOM 628 NH1 ARG B 22 3.186 -14.887 1.536 1.00 0.00 N ATOM 629 NH2 ARG B 22 4.735 -15.593 0.048 1.00 0.00 N ATOM 0 H ARG B 22 0.279 -11.512 -3.380 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.082 -13.390 -1.513 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.187 -10.748 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.003 -12.195 0.216 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.678 -12.301 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.370 -11.628 -0.856 1.00 0.00 H new ATOM 0 HD2 ARG B 22 1.327 -13.862 0.246 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.460 -14.459 -1.396 1.00 0.00 H new ATOM 0 HE ARG B 22 3.983 -13.377 -1.049 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.413 -14.267 1.779 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.522 -15.573 2.212 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.172 -15.525 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.071 -16.280 0.723 1.00 0.00 H new ATOM 643 N GLY B 23 -2.564 -10.975 -2.768 1.00 0.00 N ATOM 644 CA GLY B 23 -3.782 -10.121 -2.722 1.00 0.00 C ATOM 645 C GLY B 23 -3.552 -8.972 -1.742 1.00 0.00 C ATOM 646 O GLY B 23 -2.618 -8.985 -0.965 1.00 0.00 O ATOM 0 H GLY B 23 -2.159 -11.108 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -4.004 -9.729 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.644 -10.712 -2.412 1.00 0.00 H new ATOM 650 N PHE B 24 -4.391 -7.977 -1.770 1.00 0.00 N ATOM 651 CA PHE B 24 -4.209 -6.832 -0.834 1.00 0.00 C ATOM 652 C PHE B 24 -5.571 -6.283 -0.417 1.00 0.00 C ATOM 653 O PHE B 24 -6.604 -6.830 -0.748 1.00 0.00 O ATOM 654 CB PHE B 24 -3.422 -5.706 -1.505 1.00 0.00 C ATOM 655 CG PHE B 24 -2.935 -6.121 -2.874 1.00 0.00 C ATOM 656 CD1 PHE B 24 -3.768 -5.955 -3.988 1.00 0.00 C ATOM 657 CD2 PHE B 24 -1.652 -6.664 -3.034 1.00 0.00 C ATOM 658 CE1 PHE B 24 -3.320 -6.329 -5.261 1.00 0.00 C ATOM 659 CE2 PHE B 24 -1.205 -7.039 -4.310 1.00 0.00 C ATOM 660 CZ PHE B 24 -2.039 -6.871 -5.422 1.00 0.00 C ATOM 0 H PHE B 24 -5.192 -7.905 -2.397 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.661 -7.191 0.037 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.052 -4.821 -1.593 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.571 -5.431 -0.881 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.757 -5.538 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -1.009 -6.793 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.963 -6.199 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.217 -7.457 -4.434 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.694 -7.159 -6.404 1.00 0.00 H new ATOM 670 N PHE B 25 -5.578 -5.191 0.294 1.00 0.00 N ATOM 671 CA PHE B 25 -6.871 -4.589 0.715 1.00 0.00 C ATOM 672 C PHE B 25 -7.133 -3.355 -0.144 1.00 0.00 C ATOM 673 O PHE B 25 -7.770 -2.411 0.278 1.00 0.00 O ATOM 674 CB PHE B 25 -6.807 -4.183 2.189 1.00 0.00 C ATOM 675 CG PHE B 25 -8.183 -4.320 2.801 1.00 0.00 C ATOM 676 CD1 PHE B 25 -9.321 -4.090 2.014 1.00 0.00 C ATOM 677 CD2 PHE B 25 -8.324 -4.676 4.148 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.599 -4.216 2.576 1.00 0.00 C ATOM 679 CE2 PHE B 25 -9.603 -4.802 4.710 1.00 0.00 C ATOM 680 CZ PHE B 25 -10.740 -4.573 3.924 1.00 0.00 C ATOM 0 H PHE B 25 -4.744 -4.690 0.601 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.674 -5.315 0.588 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.094 -4.813 2.722 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.455 -3.155 2.281 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.213 -3.816 0.975 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.448 -4.854 4.754 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.475 -4.038 1.970 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.711 -5.076 5.749 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.725 -4.672 4.357 1.00 0.00 H new ATOM 690 N TYR B 26 -6.641 -3.361 -1.353 1.00 0.00 N ATOM 691 CA TYR B 26 -6.852 -2.195 -2.252 1.00 0.00 C ATOM 692 C TYR B 26 -8.258 -2.274 -2.852 1.00 0.00 C ATOM 693 O TYR B 26 -8.611 -3.233 -3.510 1.00 0.00 O ATOM 694 CB TYR B 26 -5.807 -2.229 -3.370 1.00 0.00 C ATOM 695 CG TYR B 26 -6.077 -1.113 -4.347 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.940 -1.329 -5.426 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.464 0.136 -4.176 1.00 0.00 C ATOM 698 CE1 TYR B 26 -7.195 -0.296 -6.337 1.00 0.00 C ATOM 699 CE2 TYR B 26 -5.718 1.170 -5.088 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.584 0.953 -6.169 1.00 0.00 C ATOM 701 OH TYR B 26 -6.836 1.969 -7.068 1.00 0.00 O ATOM 0 H TYR B 26 -6.101 -4.126 -1.756 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.750 -1.266 -1.691 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.807 -2.124 -2.950 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.839 -3.190 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.410 -2.293 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.797 0.301 -3.343 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.863 -0.463 -7.169 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.247 2.133 -4.958 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.335 2.769 -6.806 1.00 0.00 H new ATOM 711 N THR B 27 -9.069 -1.280 -2.616 1.00 0.00 N ATOM 712 CA THR B 27 -10.455 -1.304 -3.157 1.00 0.00 C ATOM 713 C THR B 27 -10.465 -0.821 -4.608 1.00 0.00 C ATOM 714 O THR B 27 -9.478 -0.333 -5.121 1.00 0.00 O ATOM 715 CB THR B 27 -11.345 -0.390 -2.315 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.106 0.964 -2.678 1.00 0.00 O ATOM 717 CG2 THR B 27 -11.025 -0.586 -0.832 1.00 0.00 C ATOM 0 H THR B 27 -8.830 -0.451 -2.071 1.00 0.00 H new ATOM 0 HA THR B 27 -10.832 -2.326 -3.119 1.00 0.00 H new ATOM 0 HB THR B 27 -12.392 -0.637 -2.493 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.677 1.552 -2.141 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.661 0.067 -0.233 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.207 -1.624 -0.555 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.979 -0.340 -0.650 1.00 0.00 H new ATOM 725 N LYS B 28 -11.584 -0.953 -5.267 1.00 0.00 N ATOM 726 CA LYS B 28 -11.685 -0.505 -6.684 1.00 0.00 C ATOM 727 C LYS B 28 -13.161 -0.534 -7.109 1.00 0.00 C ATOM 728 O LYS B 28 -13.814 -1.550 -6.976 1.00 0.00 O ATOM 729 CB LYS B 28 -10.876 -1.452 -7.575 1.00 0.00 C ATOM 730 CG LYS B 28 -11.072 -1.064 -9.041 1.00 0.00 C ATOM 731 CD LYS B 28 -10.097 -1.856 -9.916 1.00 0.00 C ATOM 732 CE LYS B 28 -10.111 -1.288 -11.336 1.00 0.00 C ATOM 733 NZ LYS B 28 -11.370 -1.694 -12.020 1.00 0.00 N ATOM 0 H LYS B 28 -12.438 -1.355 -4.881 1.00 0.00 H new ATOM 0 HA LYS B 28 -11.292 0.507 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.819 -1.402 -7.312 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.196 -2.482 -7.414 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.098 -1.267 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.906 0.006 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.091 -1.800 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -10.378 -2.909 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -10.035 -0.201 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.248 -1.652 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.358 -1.351 -13.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.448 -2.731 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -12.184 -1.283 -11.520 1.00 0.00 H new ATOM 747 N PRO B 29 -13.648 0.579 -7.601 1.00 0.00 N ATOM 748 CA PRO B 29 -15.049 0.700 -8.041 1.00 0.00 C ATOM 749 C PRO B 29 -15.255 0.026 -9.401 1.00 0.00 C ATOM 750 O PRO B 29 -14.313 -0.267 -10.111 1.00 0.00 O ATOM 751 CB PRO B 29 -15.268 2.212 -8.134 1.00 0.00 C ATOM 752 CG PRO B 29 -13.866 2.849 -8.290 1.00 0.00 C ATOM 753 CD PRO B 29 -12.853 1.814 -7.765 1.00 0.00 C ATOM 0 HA PRO B 29 -15.751 0.214 -7.363 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.904 2.461 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.768 2.587 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.665 3.094 -9.333 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.798 3.779 -7.726 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -12.032 1.669 -8.467 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -12.412 2.132 -6.820 1.00 0.00 H new ATOM 761 N THR B 30 -16.484 -0.225 -9.765 1.00 0.00 N ATOM 762 CA THR B 30 -16.757 -0.884 -11.074 1.00 0.00 C ATOM 763 C THR B 30 -18.164 -0.518 -11.546 1.00 0.00 C ATOM 764 O THR B 30 -19.118 -0.652 -10.746 1.00 0.00 O ATOM 765 CB THR B 30 -16.658 -2.402 -10.909 1.00 0.00 C ATOM 766 OG1 THR B 30 -15.448 -2.726 -10.239 1.00 0.00 O ATOM 767 CG2 THR B 30 -16.680 -3.069 -12.287 1.00 0.00 C ATOM 768 OXT THR B 30 -18.303 -0.099 -12.715 1.00 0.00 O ATOM 0 H THR B 30 -17.311 -0.002 -9.211 1.00 0.00 H new ATOM 0 HA THR B 30 -16.027 -0.547 -11.809 1.00 0.00 H new ATOM 0 HB THR B 30 -17.503 -2.761 -10.322 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.384 -3.698 -10.131 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.609 -4.150 -12.169 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.610 -2.820 -12.797 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.836 -2.713 -12.877 1.00 0.00 H new TER 776 THR B 30