USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 Set 1.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 15 GLN : amide:sc= 0.00638 K(o=0.0064,f=-0.58) USER MOD Single : A 1 GLY N :NH3+ -168:sc= 0 (180deg=-0.212) USER MOD Single : A 5 GLN : amide:sc= -0.787 K(o=-0.79,f=-1.6!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-2.6e-06) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.124 USER MOD Single : A 21 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.017) USER MOD Single : B 1 PHE N :NH3+ -111:sc= 0.0722 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.37) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -7.25! C(o=-7.2!,f=-9.9!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -5.7! C(o=-6.4!,f=-5.7!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 85:sc= 0.116 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.655! USER MOD Single : B 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.102) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.913 2.766 4.350 1.00 0.00 N ATOM 2 CA GLY A 1 -5.901 3.910 4.401 1.00 0.00 C ATOM 3 C GLY A 1 -4.831 3.987 3.366 1.00 0.00 C ATOM 4 O GLY A 1 -4.408 5.056 2.976 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.697 2.967 5.003 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.283 2.673 3.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.448 1.879 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.461 4.844 4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.412 3.871 5.375 1.00 0.00 H new ATOM 10 N ILE A 2 -4.369 2.864 2.892 1.00 0.00 N ATOM 11 CA ILE A 2 -3.301 2.877 1.853 1.00 0.00 C ATOM 12 C ILE A 2 -3.706 3.828 0.732 1.00 0.00 C ATOM 13 O ILE A 2 -2.880 4.343 0.005 1.00 0.00 O ATOM 14 CB ILE A 2 -3.128 1.472 1.285 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.988 1.470 0.265 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.424 1.043 0.602 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.648 1.476 1.000 1.00 0.00 C ATOM 0 H ILE A 2 -4.684 1.937 3.179 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.362 3.208 2.296 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.892 0.778 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.060 0.591 -0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.064 2.343 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.305 0.039 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.236 1.046 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.657 1.737 -0.205 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.165 1.475 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.578 2.369 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.574 0.589 1.629 1.00 0.00 H new ATOM 29 N VAL A 3 -4.977 4.061 0.588 1.00 0.00 N ATOM 30 CA VAL A 3 -5.454 4.977 -0.484 1.00 0.00 C ATOM 31 C VAL A 3 -5.199 6.428 -0.070 1.00 0.00 C ATOM 32 O VAL A 3 -4.372 7.110 -0.641 1.00 0.00 O ATOM 33 CB VAL A 3 -6.952 4.766 -0.707 1.00 0.00 C ATOM 34 CG1 VAL A 3 -7.316 5.159 -2.140 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.299 3.293 -0.479 1.00 0.00 C ATOM 0 H VAL A 3 -5.711 3.655 1.169 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.916 4.764 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.513 5.385 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.384 5.008 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.069 6.208 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.755 4.541 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.367 3.142 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.737 2.674 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.041 3.012 0.542 1.00 0.00 H new ATOM 45 N GLU A 4 -5.908 6.907 0.915 1.00 0.00 N ATOM 46 CA GLU A 4 -5.708 8.317 1.359 1.00 0.00 C ATOM 47 C GLU A 4 -4.365 8.451 2.078 1.00 0.00 C ATOM 48 O GLU A 4 -3.839 9.535 2.236 1.00 0.00 O ATOM 49 CB GLU A 4 -6.836 8.730 2.305 1.00 0.00 C ATOM 50 CG GLU A 4 -7.167 7.564 3.229 1.00 0.00 C ATOM 51 CD GLU A 4 -7.939 8.076 4.448 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.057 8.528 4.270 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.397 8.005 5.539 1.00 0.00 O ATOM 0 H GLU A 4 -6.616 6.385 1.431 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.715 8.967 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.536 9.599 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.718 9.019 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.761 6.822 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.250 7.069 3.549 1.00 0.00 H new ATOM 60 N GLN A 5 -3.802 7.363 2.515 1.00 0.00 N ATOM 61 CA GLN A 5 -2.492 7.443 3.221 1.00 0.00 C ATOM 62 C GLN A 5 -1.376 7.613 2.194 1.00 0.00 C ATOM 63 O GLN A 5 -0.392 8.285 2.433 1.00 0.00 O ATOM 64 CB GLN A 5 -2.261 6.164 4.028 1.00 0.00 C ATOM 65 CG GLN A 5 -1.224 6.432 5.120 1.00 0.00 C ATOM 66 CD GLN A 5 -1.734 7.538 6.047 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.411 8.694 5.867 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.526 7.229 7.038 1.00 0.00 N ATOM 0 H GLN A 5 -4.188 6.424 2.416 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.496 8.296 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.197 5.829 4.475 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.916 5.364 3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.037 5.522 5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.276 6.727 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.798 6.258 7.190 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.873 7.959 7.660 1.00 0.00 H new ATOM 77 N CYS A 6 -1.524 7.013 1.052 1.00 0.00 N ATOM 78 CA CYS A 6 -0.478 7.138 -0.002 1.00 0.00 C ATOM 79 C CYS A 6 -0.978 8.064 -1.108 1.00 0.00 C ATOM 80 O CYS A 6 -0.209 8.723 -1.780 1.00 0.00 O ATOM 81 CB CYS A 6 -0.175 5.757 -0.583 1.00 0.00 C ATOM 82 SG CYS A 6 -0.029 4.564 0.769 1.00 0.00 S ATOM 0 H CYS A 6 -2.327 6.438 0.798 1.00 0.00 H new ATOM 0 HA CYS A 6 0.431 7.554 0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.968 5.455 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.749 5.786 -1.160 1.00 0.00 H new ATOM 87 N CYS A 7 -2.262 8.118 -1.298 1.00 0.00 N ATOM 88 CA CYS A 7 -2.831 8.998 -2.357 1.00 0.00 C ATOM 89 C CYS A 7 -3.089 10.384 -1.764 1.00 0.00 C ATOM 90 O CYS A 7 -2.880 11.394 -2.406 1.00 0.00 O ATOM 91 CB CYS A 7 -4.131 8.379 -2.874 1.00 0.00 C ATOM 92 SG CYS A 7 -4.551 9.097 -4.483 1.00 0.00 S ATOM 0 H CYS A 7 -2.949 7.588 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.134 9.095 -3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.020 7.299 -2.965 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.938 8.558 -2.163 1.00 0.00 H new ATOM 97 N THR A 8 -3.511 10.442 -0.531 1.00 0.00 N ATOM 98 CA THR A 8 -3.743 11.762 0.114 1.00 0.00 C ATOM 99 C THR A 8 -2.478 12.129 0.906 1.00 0.00 C ATOM 100 O THR A 8 -2.281 13.261 1.300 1.00 0.00 O ATOM 101 CB THR A 8 -4.985 11.674 1.030 1.00 0.00 C ATOM 102 OG1 THR A 8 -6.071 12.335 0.400 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.720 12.332 2.392 1.00 0.00 C ATOM 0 H THR A 8 -3.705 9.631 0.057 1.00 0.00 H new ATOM 0 HA THR A 8 -3.936 12.538 -0.627 1.00 0.00 H new ATOM 0 HB THR A 8 -5.218 10.622 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.864 12.282 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.612 12.254 3.014 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.889 11.827 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.470 13.383 2.246 1.00 0.00 H new ATOM 111 N SER A 9 -1.616 11.169 1.124 1.00 0.00 N ATOM 112 CA SER A 9 -0.354 11.434 1.872 1.00 0.00 C ATOM 113 C SER A 9 0.750 10.534 1.301 1.00 0.00 C ATOM 114 O SER A 9 0.809 10.301 0.110 1.00 0.00 O ATOM 115 CB SER A 9 -0.562 11.122 3.354 1.00 0.00 C ATOM 116 OG SER A 9 0.313 11.929 4.131 1.00 0.00 O ATOM 0 H SER A 9 -1.735 10.205 0.812 1.00 0.00 H new ATOM 0 HA SER A 9 -0.069 12.481 1.769 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.598 11.313 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.369 10.067 3.546 1.00 0.00 H new ATOM 0 HG SER A 9 0.181 11.733 5.082 1.00 0.00 H new ATOM 122 N ILE A 10 1.621 10.020 2.128 1.00 0.00 N ATOM 123 CA ILE A 10 2.700 9.134 1.602 1.00 0.00 C ATOM 124 C ILE A 10 2.839 7.896 2.487 1.00 0.00 C ATOM 125 O ILE A 10 2.496 7.909 3.652 1.00 0.00 O ATOM 126 CB ILE A 10 4.039 9.874 1.594 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.890 11.237 0.943 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.063 9.077 0.814 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.842 12.287 2.039 1.00 0.00 C ATOM 0 H ILE A 10 1.633 10.173 3.136 1.00 0.00 H new ATOM 0 HA ILE A 10 2.434 8.841 0.586 1.00 0.00 H new ATOM 0 HB ILE A 10 4.366 9.997 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.725 11.429 0.269 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.981 11.273 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.014 9.610 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.195 8.100 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.718 8.947 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.735 13.275 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.993 12.091 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.764 12.249 2.620 1.00 0.00 H new ATOM 141 N CYS A 11 3.363 6.830 1.945 1.00 0.00 N ATOM 142 CA CYS A 11 3.550 5.596 2.761 1.00 0.00 C ATOM 143 C CYS A 11 4.787 4.847 2.272 1.00 0.00 C ATOM 144 O CYS A 11 5.277 5.076 1.184 1.00 0.00 O ATOM 145 CB CYS A 11 2.340 4.666 2.639 1.00 0.00 C ATOM 146 SG CYS A 11 0.848 5.617 2.254 1.00 0.00 S ATOM 0 H CYS A 11 3.669 6.760 0.975 1.00 0.00 H new ATOM 0 HA CYS A 11 3.666 5.894 3.803 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.519 3.927 1.858 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.199 4.118 3.571 1.00 0.00 H new ATOM 151 N SER A 12 5.284 3.944 3.066 1.00 0.00 N ATOM 152 CA SER A 12 6.484 3.163 2.657 1.00 0.00 C ATOM 153 C SER A 12 6.072 1.710 2.420 1.00 0.00 C ATOM 154 O SER A 12 5.120 1.226 2.999 1.00 0.00 O ATOM 155 CB SER A 12 7.535 3.221 3.766 1.00 0.00 C ATOM 156 OG SER A 12 7.123 2.391 4.844 1.00 0.00 O ATOM 0 H SER A 12 4.910 3.711 3.986 1.00 0.00 H new ATOM 0 HA SER A 12 6.904 3.583 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.501 2.890 3.385 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.662 4.248 4.110 1.00 0.00 H new ATOM 0 HG SER A 12 7.795 2.423 5.557 1.00 0.00 H new ATOM 162 N LEU A 13 6.770 1.012 1.571 1.00 0.00 N ATOM 163 CA LEU A 13 6.394 -0.403 1.308 1.00 0.00 C ATOM 164 C LEU A 13 6.166 -1.108 2.638 1.00 0.00 C ATOM 165 O LEU A 13 5.277 -1.919 2.780 1.00 0.00 O ATOM 166 CB LEU A 13 7.490 -1.104 0.482 1.00 0.00 C ATOM 167 CG LEU A 13 8.508 -1.815 1.384 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.391 -2.724 0.528 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.382 -0.778 2.083 1.00 0.00 C ATOM 0 H LEU A 13 7.578 1.356 1.052 1.00 0.00 H new ATOM 0 HA LEU A 13 5.473 -0.441 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.032 -1.828 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.003 -0.370 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 13 7.981 -2.409 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.116 -3.231 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.770 -3.464 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.917 -2.125 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.105 -1.284 2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.911 -0.185 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.756 -0.123 2.689 1.00 0.00 H new ATOM 181 N TYR A 14 6.948 -0.783 3.621 1.00 0.00 N ATOM 182 CA TYR A 14 6.754 -1.417 4.951 1.00 0.00 C ATOM 183 C TYR A 14 5.283 -1.255 5.323 1.00 0.00 C ATOM 184 O TYR A 14 4.638 -2.171 5.790 1.00 0.00 O ATOM 185 CB TYR A 14 7.633 -0.721 5.992 1.00 0.00 C ATOM 186 CG TYR A 14 8.162 -1.747 6.965 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.356 -2.194 8.020 1.00 0.00 C ATOM 188 CD2 TYR A 14 9.458 -2.252 6.812 1.00 0.00 C ATOM 189 CE1 TYR A 14 7.847 -3.147 8.922 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.951 -3.205 7.713 1.00 0.00 C ATOM 191 CZ TYR A 14 9.145 -3.652 8.769 1.00 0.00 C ATOM 192 OH TYR A 14 9.629 -4.592 9.656 1.00 0.00 O ATOM 0 H TYR A 14 7.711 -0.109 3.564 1.00 0.00 H new ATOM 0 HA TYR A 14 7.030 -2.471 4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.460 -0.208 5.502 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.057 0.037 6.523 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.356 -1.804 8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.079 -1.907 5.999 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.225 -3.492 9.735 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.951 -3.595 7.594 1.00 0.00 H new ATOM 0 HH TYR A 14 10.544 -4.837 9.406 1.00 0.00 H new ATOM 202 N GLN A 15 4.749 -0.089 5.087 1.00 0.00 N ATOM 203 CA GLN A 15 3.314 0.156 5.386 1.00 0.00 C ATOM 204 C GLN A 15 2.478 -0.573 4.339 1.00 0.00 C ATOM 205 O GLN A 15 1.351 -0.960 4.575 1.00 0.00 O ATOM 206 CB GLN A 15 3.035 1.659 5.306 1.00 0.00 C ATOM 207 CG GLN A 15 3.523 2.344 6.582 1.00 0.00 C ATOM 208 CD GLN A 15 3.268 3.850 6.483 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.115 4.591 6.026 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.130 4.335 6.896 1.00 0.00 N ATOM 0 H GLN A 15 5.250 0.709 4.697 1.00 0.00 H new ATOM 0 HA GLN A 15 3.064 -0.204 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.537 2.086 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.967 1.834 5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.005 1.933 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.586 2.153 6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.419 3.712 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.951 5.337 6.835 1.00 0.00 H new ATOM 219 N LEU A 16 3.045 -0.769 3.185 1.00 0.00 N ATOM 220 CA LEU A 16 2.332 -1.478 2.100 1.00 0.00 C ATOM 221 C LEU A 16 2.371 -2.974 2.402 1.00 0.00 C ATOM 222 O LEU A 16 1.462 -3.711 2.078 1.00 0.00 O ATOM 223 CB LEU A 16 3.041 -1.186 0.769 1.00 0.00 C ATOM 224 CG LEU A 16 3.039 0.327 0.429 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.339 0.540 -0.911 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.312 1.154 1.502 1.00 0.00 C ATOM 0 H LEU A 16 3.988 -0.461 2.947 1.00 0.00 H new ATOM 0 HA LEU A 16 1.296 -1.146 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.069 -1.545 0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.550 -1.738 -0.032 1.00 0.00 H new ATOM 0 HG LEU A 16 4.076 0.660 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.335 1.602 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.869 -0.009 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.313 0.179 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.334 2.208 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.277 0.820 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.809 1.021 2.463 1.00 0.00 H new ATOM 238 N GLU A 17 3.418 -3.422 3.041 1.00 0.00 N ATOM 239 CA GLU A 17 3.518 -4.862 3.389 1.00 0.00 C ATOM 240 C GLU A 17 2.455 -5.177 4.434 1.00 0.00 C ATOM 241 O GLU A 17 2.067 -6.312 4.625 1.00 0.00 O ATOM 242 CB GLU A 17 4.907 -5.161 3.959 1.00 0.00 C ATOM 243 CG GLU A 17 5.939 -5.144 2.830 1.00 0.00 C ATOM 244 CD GLU A 17 7.174 -5.940 3.253 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.009 -7.077 3.663 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.264 -5.400 3.160 1.00 0.00 O ATOM 0 H GLU A 17 4.208 -2.849 3.336 1.00 0.00 H new ATOM 0 HA GLU A 17 3.365 -5.474 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.168 -4.421 4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.908 -6.133 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.510 -5.573 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.219 -4.117 2.595 1.00 0.00 H new ATOM 253 N ASN A 18 1.971 -4.169 5.107 1.00 0.00 N ATOM 254 CA ASN A 18 0.921 -4.401 6.135 1.00 0.00 C ATOM 255 C ASN A 18 -0.407 -4.704 5.437 1.00 0.00 C ATOM 256 O ASN A 18 -1.399 -5.006 6.069 1.00 0.00 O ATOM 257 CB ASN A 18 0.771 -3.148 7.002 1.00 0.00 C ATOM 258 CG ASN A 18 0.207 -3.537 8.371 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.991 -3.523 8.572 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.026 -3.886 9.325 1.00 0.00 N ATOM 0 H ASN A 18 2.258 -3.197 4.989 1.00 0.00 H new ATOM 0 HA ASN A 18 1.203 -5.244 6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.737 -2.658 7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.109 -2.433 6.514 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.661 -4.147 10.241 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.032 -3.897 9.155 1.00 0.00 H new ATOM 267 N TYR A 19 -0.433 -4.625 4.131 1.00 0.00 N ATOM 268 CA TYR A 19 -1.694 -4.905 3.389 1.00 0.00 C ATOM 269 C TYR A 19 -1.606 -6.279 2.719 1.00 0.00 C ATOM 270 O TYR A 19 -2.457 -6.653 1.937 1.00 0.00 O ATOM 271 CB TYR A 19 -1.898 -3.833 2.320 1.00 0.00 C ATOM 272 CG TYR A 19 -2.304 -2.540 2.979 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.323 -1.677 3.488 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.658 -2.201 3.084 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.699 -0.477 4.104 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.035 -1.002 3.700 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.055 -0.138 4.210 1.00 0.00 C ATOM 278 OH TYR A 19 -3.426 1.044 4.815 1.00 0.00 O ATOM 0 H TYR A 19 0.367 -4.378 3.548 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.533 -4.897 4.085 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.979 -3.691 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.665 -4.150 1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.278 -1.938 3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.413 -2.865 2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.944 0.188 4.498 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.080 -0.742 3.783 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.722 1.713 4.685 1.00 0.00 H new ATOM 288 N CYS A 20 -0.584 -7.032 3.016 1.00 0.00 N ATOM 289 CA CYS A 20 -0.444 -8.378 2.390 1.00 0.00 C ATOM 290 C CYS A 20 -1.634 -9.255 2.782 1.00 0.00 C ATOM 291 O CYS A 20 -2.220 -9.090 3.835 1.00 0.00 O ATOM 292 CB CYS A 20 0.852 -9.032 2.872 1.00 0.00 C ATOM 293 SG CYS A 20 2.256 -7.970 2.451 1.00 0.00 S ATOM 0 H CYS A 20 0.160 -6.775 3.664 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.417 -8.270 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.813 -9.191 3.950 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.972 -10.012 2.409 1.00 0.00 H new ATOM 298 N ASN A 21 -1.996 -10.187 1.943 1.00 0.00 N ATOM 299 CA ASN A 21 -3.148 -11.076 2.267 1.00 0.00 C ATOM 300 C ASN A 21 -4.294 -10.241 2.838 1.00 0.00 C ATOM 301 O ASN A 21 -4.704 -10.517 3.953 1.00 0.00 O ATOM 302 CB ASN A 21 -2.713 -12.120 3.298 1.00 0.00 C ATOM 303 CG ASN A 21 -1.260 -12.509 3.047 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.411 -12.321 3.896 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.934 -13.050 1.909 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.743 -9.338 2.152 1.00 0.00 O ATOM 0 H ASN A 21 -1.544 -10.371 1.047 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.484 -11.579 1.360 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.824 -11.720 4.306 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.353 -13.000 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.034 -13.316 1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.647 -13.208 1.197 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.938 0.844 -0.104 1.00 0.00 N ATOM 315 CA PHE B 1 11.832 1.725 -0.575 1.00 0.00 C ATOM 316 C PHE B 1 11.778 2.987 0.290 1.00 0.00 C ATOM 317 O PHE B 1 12.594 3.185 1.168 1.00 0.00 O ATOM 318 CB PHE B 1 10.501 0.980 -0.465 1.00 0.00 C ATOM 319 CG PHE B 1 10.165 0.344 -1.792 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.653 1.127 -2.835 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.362 -1.031 -1.980 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.338 0.536 -4.067 1.00 0.00 C ATOM 323 CE2 PHE B 1 10.047 -1.622 -3.212 1.00 0.00 C ATOM 324 CZ PHE B 1 9.536 -0.838 -4.255 1.00 0.00 C ATOM 0 H1 PHE B 1 13.694 0.823 -0.818 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.318 1.212 0.791 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.575 -0.119 0.044 1.00 0.00 H new ATOM 0 HA PHE B 1 12.010 2.002 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.563 0.216 0.310 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.710 1.670 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.501 2.186 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.756 -1.635 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.943 1.140 -4.871 1.00 0.00 H new ATOM 0 HE2 PHE B 1 10.198 -2.681 -3.357 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.295 -1.293 -5.204 1.00 0.00 H new ATOM 336 N VAL B 2 10.823 3.840 0.044 1.00 0.00 N ATOM 337 CA VAL B 2 10.705 5.088 0.837 1.00 0.00 C ATOM 338 C VAL B 2 9.272 5.607 0.705 1.00 0.00 C ATOM 339 O VAL B 2 8.499 5.128 -0.099 1.00 0.00 O ATOM 340 CB VAL B 2 11.705 6.121 0.296 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.881 5.920 -1.209 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.208 7.545 0.550 1.00 0.00 C ATOM 0 H VAL B 2 10.114 3.722 -0.680 1.00 0.00 H new ATOM 0 HA VAL B 2 10.928 4.904 1.888 1.00 0.00 H new ATOM 0 HB VAL B 2 12.655 5.981 0.811 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.590 6.653 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.258 4.915 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.920 6.049 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.933 8.259 0.158 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.250 7.690 0.051 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.087 7.702 1.622 1.00 0.00 H new ATOM 352 N ASN B 3 8.916 6.583 1.484 1.00 0.00 N ATOM 353 CA ASN B 3 7.531 7.127 1.389 1.00 0.00 C ATOM 354 C ASN B 3 7.263 7.537 -0.063 1.00 0.00 C ATOM 355 O ASN B 3 8.097 8.138 -0.710 1.00 0.00 O ATOM 356 CB ASN B 3 7.361 8.346 2.313 1.00 0.00 C ATOM 357 CG ASN B 3 8.270 8.208 3.537 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.020 7.395 4.404 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.321 8.974 3.644 1.00 0.00 N ATOM 0 H ASN B 3 9.516 7.028 2.179 1.00 0.00 H new ATOM 0 HA ASN B 3 6.821 6.361 1.702 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.604 9.260 1.771 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.321 8.430 2.630 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.933 8.890 4.456 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.531 9.657 2.916 1.00 0.00 H new ATOM 366 N GLN B 4 6.104 7.225 -0.576 1.00 0.00 N ATOM 367 CA GLN B 4 5.785 7.609 -1.980 1.00 0.00 C ATOM 368 C GLN B 4 4.276 7.788 -2.133 1.00 0.00 C ATOM 369 O GLN B 4 3.493 6.986 -1.663 1.00 0.00 O ATOM 370 CB GLN B 4 6.264 6.514 -2.934 1.00 0.00 C ATOM 371 CG GLN B 4 6.876 7.154 -4.181 1.00 0.00 C ATOM 372 CD GLN B 4 8.186 6.445 -4.531 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.225 7.069 -4.610 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.179 5.157 -4.744 1.00 0.00 N ATOM 0 H GLN B 4 5.366 6.722 -0.084 1.00 0.00 H new ATOM 0 HA GLN B 4 6.289 8.546 -2.219 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.001 5.882 -2.438 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.430 5.871 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.179 7.086 -5.016 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.060 8.214 -4.005 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.306 4.634 -4.677 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.047 4.674 -4.977 1.00 0.00 H new ATOM 383 N HIS B 5 3.862 8.837 -2.788 1.00 0.00 N ATOM 384 CA HIS B 5 2.405 9.070 -2.975 1.00 0.00 C ATOM 385 C HIS B 5 1.847 8.032 -3.950 1.00 0.00 C ATOM 386 O HIS B 5 2.225 7.980 -5.103 1.00 0.00 O ATOM 387 CB HIS B 5 2.178 10.472 -3.540 1.00 0.00 C ATOM 388 CG HIS B 5 2.562 11.501 -2.512 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.608 12.201 -1.804 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.787 11.940 -2.092 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.269 13.033 -0.987 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.605 12.909 -1.128 1.00 0.00 N ATOM 0 H HIS B 5 4.471 9.543 -3.202 1.00 0.00 H new ATOM 0 HA HIS B 5 1.897 8.981 -2.015 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.769 10.610 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.132 10.597 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.740 11.586 -2.456 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.792 13.717 -0.301 1.00 0.00 H new ATOM 0 HE2 HIS B 5 4.329 13.424 -0.627 1.00 0.00 H new ATOM 400 N LEU B 6 0.953 7.203 -3.490 1.00 0.00 N ATOM 401 CA LEU B 6 0.366 6.161 -4.377 1.00 0.00 C ATOM 402 C LEU B 6 -1.149 6.348 -4.442 1.00 0.00 C ATOM 403 O LEU B 6 -1.701 7.173 -3.751 1.00 0.00 O ATOM 404 CB LEU B 6 0.680 4.788 -3.800 1.00 0.00 C ATOM 405 CG LEU B 6 1.852 4.146 -4.545 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.896 5.191 -4.927 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.495 3.108 -3.636 1.00 0.00 C ATOM 0 H LEU B 6 0.602 7.202 -2.532 1.00 0.00 H new ATOM 0 HA LEU B 6 0.786 6.247 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.921 4.879 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.199 4.147 -3.873 1.00 0.00 H new ATOM 0 HG LEU B 6 1.479 3.683 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.718 4.708 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.440 5.941 -5.573 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.277 5.672 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.333 2.641 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.853 3.592 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.759 2.347 -3.376 1.00 0.00 H new ATOM 419 N CYS B 7 -1.833 5.594 -5.263 1.00 0.00 N ATOM 420 CA CYS B 7 -3.316 5.769 -5.348 1.00 0.00 C ATOM 421 C CYS B 7 -4.009 4.478 -5.806 1.00 0.00 C ATOM 422 O CYS B 7 -4.539 3.728 -5.013 1.00 0.00 O ATOM 423 CB CYS B 7 -3.640 6.885 -6.349 1.00 0.00 C ATOM 424 SG CYS B 7 -3.066 8.479 -5.705 1.00 0.00 S ATOM 0 H CYS B 7 -1.438 4.875 -5.870 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.682 6.025 -4.354 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.162 6.677 -7.306 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.714 6.922 -6.530 1.00 0.00 H new ATOM 429 N GLY B 8 -4.041 4.241 -7.083 1.00 0.00 N ATOM 430 CA GLY B 8 -4.735 3.024 -7.606 1.00 0.00 C ATOM 431 C GLY B 8 -3.724 1.979 -8.091 1.00 0.00 C ATOM 432 O GLY B 8 -3.124 1.273 -7.305 1.00 0.00 O ATOM 0 H GLY B 8 -3.617 4.836 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.361 2.594 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.397 3.303 -8.426 1.00 0.00 H new ATOM 436 N SER B 9 -3.538 1.870 -9.382 1.00 0.00 N ATOM 437 CA SER B 9 -2.576 0.865 -9.913 1.00 0.00 C ATOM 438 C SER B 9 -1.304 0.942 -9.092 1.00 0.00 C ATOM 439 O SER B 9 -0.884 -0.005 -8.467 1.00 0.00 O ATOM 440 CB SER B 9 -2.263 1.174 -11.377 1.00 0.00 C ATOM 441 OG SER B 9 -2.888 0.203 -12.207 1.00 0.00 O ATOM 0 H SER B 9 -4.011 2.434 -10.088 1.00 0.00 H new ATOM 0 HA SER B 9 -3.005 -0.135 -9.849 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.619 2.172 -11.634 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.185 1.168 -11.539 1.00 0.00 H new ATOM 0 HG SER B 9 -2.690 0.400 -13.146 1.00 0.00 H new ATOM 447 N HIS B 10 -0.703 2.083 -9.080 1.00 0.00 N ATOM 448 CA HIS B 10 0.548 2.263 -8.289 1.00 0.00 C ATOM 449 C HIS B 10 0.335 1.848 -6.821 1.00 0.00 C ATOM 450 O HIS B 10 1.280 1.751 -6.068 1.00 0.00 O ATOM 451 CB HIS B 10 1.023 3.726 -8.332 1.00 0.00 C ATOM 452 CG HIS B 10 -0.094 4.654 -8.728 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.419 4.679 -8.385 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.129 5.709 -9.588 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -2.022 5.742 -9.030 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -1.044 6.334 -9.744 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.019 2.911 -9.585 1.00 0.00 H new ATOM 0 HA HIS B 10 1.309 1.625 -8.738 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.408 4.014 -7.354 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.846 3.822 -9.040 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.069 5.979 -10.047 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -3.059 6.037 -8.974 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.181 7.157 -10.331 1.00 0.00 H new ATOM 464 N LEU B 11 -0.875 1.556 -6.406 1.00 0.00 N ATOM 465 CA LEU B 11 -1.083 1.116 -5.000 1.00 0.00 C ATOM 466 C LEU B 11 -1.122 -0.382 -5.030 1.00 0.00 C ATOM 467 O LEU B 11 -0.384 -1.068 -4.350 1.00 0.00 O ATOM 468 CB LEU B 11 -2.418 1.641 -4.455 1.00 0.00 C ATOM 469 CG LEU B 11 -2.186 2.846 -3.542 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.471 3.159 -2.782 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.091 2.521 -2.527 1.00 0.00 C ATOM 0 H LEU B 11 -1.718 1.604 -6.979 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.288 1.496 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.069 1.924 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.928 0.852 -3.903 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.888 3.700 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.308 4.018 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.267 3.387 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.757 2.296 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.929 3.382 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.396 1.665 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.166 2.284 -3.053 1.00 0.00 H new ATOM 483 N VAL B 12 -1.955 -0.888 -5.870 1.00 0.00 N ATOM 484 CA VAL B 12 -2.035 -2.341 -6.027 1.00 0.00 C ATOM 485 C VAL B 12 -0.684 -2.784 -6.555 1.00 0.00 C ATOM 486 O VAL B 12 -0.228 -3.885 -6.321 1.00 0.00 O ATOM 487 CB VAL B 12 -3.137 -2.671 -7.037 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.309 -1.709 -6.847 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.597 -2.528 -8.468 1.00 0.00 C ATOM 0 H VAL B 12 -2.590 -0.350 -6.460 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.270 -2.846 -5.090 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.470 -3.696 -6.876 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.093 -1.944 -7.566 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.702 -1.810 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.969 -0.685 -7.003 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.387 -2.765 -9.180 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.258 -1.504 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.762 -3.213 -8.612 1.00 0.00 H new ATOM 499 N GLU B 13 -0.040 -1.900 -7.262 1.00 0.00 N ATOM 500 CA GLU B 13 1.285 -2.220 -7.808 1.00 0.00 C ATOM 501 C GLU B 13 2.271 -2.170 -6.652 1.00 0.00 C ATOM 502 O GLU B 13 3.060 -3.071 -6.448 1.00 0.00 O ATOM 503 CB GLU B 13 1.670 -1.200 -8.879 1.00 0.00 C ATOM 504 CG GLU B 13 0.878 -1.484 -10.157 1.00 0.00 C ATOM 505 CD GLU B 13 1.465 -0.670 -11.311 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.221 0.248 -11.040 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.148 -0.978 -12.448 1.00 0.00 O ATOM 0 H GLU B 13 -0.386 -0.966 -7.481 1.00 0.00 H new ATOM 0 HA GLU B 13 1.287 -3.207 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.463 -0.190 -8.526 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.740 -1.254 -9.081 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.915 -2.548 -10.392 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.171 -1.226 -10.012 1.00 0.00 H new ATOM 514 N ALA B 14 2.201 -1.129 -5.868 1.00 0.00 N ATOM 515 CA ALA B 14 3.095 -1.024 -4.697 1.00 0.00 C ATOM 516 C ALA B 14 2.824 -2.220 -3.790 1.00 0.00 C ATOM 517 O ALA B 14 3.720 -2.954 -3.428 1.00 0.00 O ATOM 518 CB ALA B 14 2.775 0.267 -3.950 1.00 0.00 C ATOM 0 H ALA B 14 1.558 -0.347 -5.995 1.00 0.00 H new ATOM 0 HA ALA B 14 4.141 -1.015 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.429 0.357 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.931 1.119 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.736 0.249 -3.621 1.00 0.00 H new ATOM 524 N LEU B 15 1.585 -2.428 -3.433 1.00 0.00 N ATOM 525 CA LEU B 15 1.256 -3.586 -2.557 1.00 0.00 C ATOM 526 C LEU B 15 1.712 -4.865 -3.250 1.00 0.00 C ATOM 527 O LEU B 15 2.315 -5.732 -2.652 1.00 0.00 O ATOM 528 CB LEU B 15 -0.258 -3.653 -2.308 1.00 0.00 C ATOM 529 CG LEU B 15 -0.762 -2.457 -1.473 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.646 -2.983 -0.347 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.388 -1.675 -0.838 1.00 0.00 C ATOM 0 H LEU B 15 0.792 -1.849 -3.709 1.00 0.00 H new ATOM 0 HA LEU B 15 1.763 -3.472 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.782 -3.674 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.499 -4.582 -1.792 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.308 -1.792 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.009 -2.147 0.251 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.494 -3.521 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.068 -3.657 0.285 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.013 -0.843 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU B 15 0.956 -2.333 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.043 -1.291 -1.620 1.00 0.00 H new ATOM 543 N TYR B 16 1.433 -4.986 -4.511 1.00 0.00 N ATOM 544 CA TYR B 16 1.863 -6.209 -5.242 1.00 0.00 C ATOM 545 C TYR B 16 3.389 -6.276 -5.244 1.00 0.00 C ATOM 546 O TYR B 16 3.976 -7.322 -5.435 1.00 0.00 O ATOM 547 CB TYR B 16 1.349 -6.164 -6.684 1.00 0.00 C ATOM 548 CG TYR B 16 2.046 -7.224 -7.501 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.646 -8.562 -7.400 1.00 0.00 C ATOM 550 CD2 TYR B 16 3.098 -6.869 -8.356 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.296 -9.547 -8.155 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.748 -7.854 -9.111 1.00 0.00 C ATOM 553 CZ TYR B 16 3.347 -9.193 -9.011 1.00 0.00 C ATOM 554 OH TYR B 16 3.989 -10.162 -9.755 1.00 0.00 O ATOM 0 H TYR B 16 0.928 -4.297 -5.068 1.00 0.00 H new ATOM 0 HA TYR B 16 1.454 -7.091 -4.749 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.271 -6.326 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.531 -5.180 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.836 -8.835 -6.740 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.407 -5.837 -8.433 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.987 -10.579 -8.077 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.559 -7.581 -9.770 1.00 0.00 H new ATOM 0 HH TYR B 16 4.692 -9.746 -10.296 1.00 0.00 H new ATOM 564 N LEU B 17 4.036 -5.166 -5.028 1.00 0.00 N ATOM 565 CA LEU B 17 5.523 -5.165 -5.014 1.00 0.00 C ATOM 566 C LEU B 17 6.008 -5.273 -3.571 1.00 0.00 C ATOM 567 O LEU B 17 7.062 -5.813 -3.298 1.00 0.00 O ATOM 568 CB LEU B 17 6.040 -3.868 -5.639 1.00 0.00 C ATOM 569 CG LEU B 17 7.252 -4.171 -6.522 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.888 -5.254 -7.540 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.670 -2.900 -7.263 1.00 0.00 C ATOM 0 H LEU B 17 3.599 -4.260 -4.861 1.00 0.00 H new ATOM 0 HA LEU B 17 5.898 -6.011 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.254 -3.399 -6.231 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.315 -3.160 -4.857 1.00 0.00 H new ATOM 0 HG LEU B 17 8.075 -4.521 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.753 -5.468 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.587 -6.161 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.064 -4.906 -8.163 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.534 -3.113 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.844 -2.553 -7.884 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.930 -2.127 -6.540 1.00 0.00 H new ATOM 583 N VAL B 18 5.241 -4.777 -2.642 1.00 0.00 N ATOM 584 CA VAL B 18 5.653 -4.865 -1.216 1.00 0.00 C ATOM 585 C VAL B 18 5.332 -6.265 -0.695 1.00 0.00 C ATOM 586 O VAL B 18 6.075 -6.842 0.075 1.00 0.00 O ATOM 587 CB VAL B 18 4.896 -3.817 -0.398 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.836 -2.504 -1.179 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.472 -4.306 -0.117 1.00 0.00 C ATOM 0 H VAL B 18 4.347 -4.315 -2.809 1.00 0.00 H new ATOM 0 HA VAL B 18 6.723 -4.678 -1.125 1.00 0.00 H new ATOM 0 HB VAL B 18 5.416 -3.658 0.547 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.297 -1.758 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.848 -2.150 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.320 -2.667 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.938 -3.556 0.466 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.951 -4.471 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.512 -5.240 0.444 1.00 0.00 H new ATOM 599 N CYS B 19 4.226 -6.810 -1.113 1.00 0.00 N ATOM 600 CA CYS B 19 3.843 -8.173 -0.650 1.00 0.00 C ATOM 601 C CYS B 19 4.361 -9.211 -1.646 1.00 0.00 C ATOM 602 O CYS B 19 4.422 -10.389 -1.357 1.00 0.00 O ATOM 603 CB CYS B 19 2.319 -8.268 -0.557 1.00 0.00 C ATOM 604 SG CYS B 19 1.721 -7.114 0.701 1.00 0.00 S ATOM 0 H CYS B 19 3.568 -6.370 -1.757 1.00 0.00 H new ATOM 0 HA CYS B 19 4.279 -8.362 0.331 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.870 -8.036 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS B 19 2.022 -9.286 -0.304 1.00 0.00 H new ATOM 609 N GLY B 20 4.737 -8.780 -2.819 1.00 0.00 N ATOM 610 CA GLY B 20 5.254 -9.741 -3.835 1.00 0.00 C ATOM 611 C GLY B 20 4.189 -10.799 -4.132 1.00 0.00 C ATOM 612 O GLY B 20 3.101 -10.491 -4.576 1.00 0.00 O ATOM 0 H GLY B 20 4.709 -7.805 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.519 -9.211 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.163 -10.219 -3.469 1.00 0.00 H new ATOM 616 N GLU B 21 4.494 -12.045 -3.891 1.00 0.00 N ATOM 617 CA GLU B 21 3.498 -13.122 -4.159 1.00 0.00 C ATOM 618 C GLU B 21 2.415 -13.096 -3.081 1.00 0.00 C ATOM 619 O GLU B 21 1.295 -13.514 -3.302 1.00 0.00 O ATOM 620 CB GLU B 21 4.200 -14.482 -4.147 1.00 0.00 C ATOM 621 CG GLU B 21 5.008 -14.649 -5.434 1.00 0.00 C ATOM 622 CD GLU B 21 5.362 -16.125 -5.628 1.00 0.00 C ATOM 623 OE1 GLU B 21 4.468 -16.890 -5.949 1.00 0.00 O ATOM 624 OE2 GLU B 21 6.520 -16.463 -5.453 1.00 0.00 O ATOM 0 H GLU B 21 5.389 -12.364 -3.520 1.00 0.00 H new ATOM 0 HA GLU B 21 3.041 -12.959 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.857 -14.557 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.465 -15.282 -4.060 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.433 -14.287 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.917 -14.050 -5.385 1.00 0.00 H new ATOM 631 N ARG B 22 2.734 -12.603 -1.915 1.00 0.00 N ATOM 632 CA ARG B 22 1.719 -12.547 -0.829 1.00 0.00 C ATOM 633 C ARG B 22 0.544 -11.681 -1.285 1.00 0.00 C ATOM 634 O ARG B 22 -0.519 -11.694 -0.696 1.00 0.00 O ATOM 635 CB ARG B 22 2.347 -11.940 0.428 1.00 0.00 C ATOM 636 CG ARG B 22 2.843 -13.061 1.344 1.00 0.00 C ATOM 637 CD ARG B 22 3.978 -12.537 2.226 1.00 0.00 C ATOM 638 NE ARG B 22 4.711 -13.687 2.827 1.00 0.00 N ATOM 639 CZ ARG B 22 4.758 -13.825 4.123 1.00 0.00 C ATOM 640 NH1 ARG B 22 3.672 -13.685 4.834 1.00 0.00 N ATOM 641 NH2 ARG B 22 5.890 -14.102 4.710 1.00 0.00 N ATOM 0 H ARG B 22 3.654 -12.237 -1.669 1.00 0.00 H new ATOM 0 HA ARG B 22 1.366 -13.553 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.175 -11.287 0.154 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.615 -11.325 0.952 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.025 -13.426 1.965 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.192 -13.904 0.748 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.660 -11.926 1.635 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.577 -11.897 3.012 1.00 0.00 H new ATOM 0 HE ARG B 22 5.176 -14.366 2.225 1.00 0.00 H new ATOM 0 HH11 ARG B 22 2.787 -13.468 4.376 1.00 0.00 H new ATOM 0 HH12 ARG B 22 3.709 -13.793 5.848 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.739 -14.211 4.155 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.926 -14.210 5.724 1.00 0.00 H new ATOM 655 N GLY B 23 0.730 -10.926 -2.333 1.00 0.00 N ATOM 656 CA GLY B 23 -0.371 -10.056 -2.837 1.00 0.00 C ATOM 657 C GLY B 23 -0.960 -9.254 -1.677 1.00 0.00 C ATOM 658 O GLY B 23 -0.316 -9.032 -0.671 1.00 0.00 O ATOM 0 H GLY B 23 1.600 -10.874 -2.864 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.007 -9.381 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.146 -10.665 -3.302 1.00 0.00 H new ATOM 662 N PHE B 24 -2.180 -8.810 -1.810 1.00 0.00 N ATOM 663 CA PHE B 24 -2.802 -8.013 -0.715 1.00 0.00 C ATOM 664 C PHE B 24 -4.313 -7.931 -0.930 1.00 0.00 C ATOM 665 O PHE B 24 -4.872 -8.613 -1.765 1.00 0.00 O ATOM 666 CB PHE B 24 -2.219 -6.599 -0.735 1.00 0.00 C ATOM 667 CG PHE B 24 -2.259 -6.073 -2.149 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.224 -6.384 -3.041 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.333 -5.278 -2.573 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.263 -5.901 -4.354 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.370 -4.794 -3.888 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.335 -5.105 -4.779 1.00 0.00 C ATOM 0 H PHE B 24 -2.771 -8.964 -2.627 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.597 -8.491 0.243 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.790 -5.947 -0.074 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.194 -6.609 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.396 -6.996 -2.715 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.132 -5.039 -1.887 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.465 -6.142 -5.041 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.197 -4.181 -4.214 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.363 -4.732 -5.792 1.00 0.00 H new ATOM 682 N PHE B 25 -4.975 -7.093 -0.183 1.00 0.00 N ATOM 683 CA PHE B 25 -6.448 -6.951 -0.341 1.00 0.00 C ATOM 684 C PHE B 25 -6.759 -5.564 -0.900 1.00 0.00 C ATOM 685 O PHE B 25 -7.662 -5.387 -1.692 1.00 0.00 O ATOM 686 CB PHE B 25 -7.126 -7.123 1.021 1.00 0.00 C ATOM 687 CG PHE B 25 -8.611 -6.894 0.879 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.333 -7.567 -0.117 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.269 -6.010 1.745 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.712 -7.356 -0.246 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.649 -5.798 1.615 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.370 -6.470 0.620 1.00 0.00 C ATOM 0 H PHE B 25 -4.557 -6.498 0.533 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.821 -7.712 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.938 -8.124 1.409 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.706 -6.419 1.739 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.826 -8.248 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.713 -5.492 2.513 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.268 -7.875 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.156 -5.117 2.282 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.433 -6.306 0.519 1.00 0.00 H new ATOM 702 N TYR B 26 -6.004 -4.584 -0.494 1.00 0.00 N ATOM 703 CA TYR B 26 -6.229 -3.196 -0.994 1.00 0.00 C ATOM 704 C TYR B 26 -7.693 -2.801 -0.787 1.00 0.00 C ATOM 705 O TYR B 26 -8.578 -3.271 -1.474 1.00 0.00 O ATOM 706 CB TYR B 26 -5.884 -3.131 -2.481 1.00 0.00 C ATOM 707 CG TYR B 26 -5.970 -1.703 -2.965 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.524 -0.655 -2.148 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.494 -1.427 -4.234 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.605 0.668 -2.601 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.575 -0.103 -4.687 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.130 0.945 -3.870 1.00 0.00 C ATOM 713 OH TYR B 26 -6.210 2.249 -4.315 1.00 0.00 O ATOM 0 H TYR B 26 -5.234 -4.683 0.168 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.592 -2.505 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.880 -3.521 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.569 -3.759 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.118 -0.867 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.836 -2.235 -4.864 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.262 1.476 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.980 0.109 -5.665 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.356 2.510 -4.719 1.00 0.00 H new ATOM 723 N THR B 27 -7.953 -1.938 0.153 1.00 0.00 N ATOM 724 CA THR B 27 -9.358 -1.513 0.406 1.00 0.00 C ATOM 725 C THR B 27 -9.394 -0.020 0.739 1.00 0.00 C ATOM 726 O THR B 27 -8.572 0.750 0.282 1.00 0.00 O ATOM 727 CB THR B 27 -9.927 -2.311 1.581 1.00 0.00 C ATOM 728 OG1 THR B 27 -11.284 -1.942 1.788 1.00 0.00 O ATOM 729 CG2 THR B 27 -9.118 -2.012 2.844 1.00 0.00 C ATOM 0 H THR B 27 -7.254 -1.508 0.758 1.00 0.00 H new ATOM 0 HA THR B 27 -9.957 -1.698 -0.486 1.00 0.00 H new ATOM 0 HB THR B 27 -9.868 -3.377 1.359 1.00 0.00 H new ATOM 0 HG1 THR B 27 -11.651 -2.453 2.539 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.525 -2.581 3.680 1.00 0.00 H new ATOM 0 HG22 THR B 27 -8.077 -2.294 2.685 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.175 -0.947 3.069 1.00 0.00 H new ATOM 737 N LYS B 28 -10.343 0.394 1.535 1.00 0.00 N ATOM 738 CA LYS B 28 -10.437 1.835 1.900 1.00 0.00 C ATOM 739 C LYS B 28 -10.831 1.960 3.374 1.00 0.00 C ATOM 740 O LYS B 28 -11.369 1.036 3.950 1.00 0.00 O ATOM 741 CB LYS B 28 -11.497 2.512 1.030 1.00 0.00 C ATOM 742 CG LYS B 28 -12.846 1.819 1.237 1.00 0.00 C ATOM 743 CD LYS B 28 -13.817 2.250 0.136 1.00 0.00 C ATOM 744 CE LYS B 28 -15.212 1.701 0.443 1.00 0.00 C ATOM 745 NZ LYS B 28 -15.846 2.524 1.511 1.00 0.00 N ATOM 0 H LYS B 28 -11.058 -0.205 1.948 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.473 2.317 1.738 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.575 3.568 1.289 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.208 2.462 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.717 0.737 1.219 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.252 2.076 2.215 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.849 3.338 0.070 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.474 1.882 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.827 1.717 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.143 0.661 0.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.856 2.286 1.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.382 2.328 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.743 3.533 1.279 1.00 0.00 H new ATOM 759 N PRO B 29 -10.550 3.106 3.940 1.00 0.00 N ATOM 760 CA PRO B 29 -10.863 3.391 5.350 1.00 0.00 C ATOM 761 C PRO B 29 -12.350 3.722 5.509 1.00 0.00 C ATOM 762 O PRO B 29 -12.976 4.256 4.616 1.00 0.00 O ATOM 763 CB PRO B 29 -9.994 4.610 5.671 1.00 0.00 C ATOM 764 CG PRO B 29 -9.678 5.290 4.316 1.00 0.00 C ATOM 765 CD PRO B 29 -9.896 4.222 3.227 1.00 0.00 C ATOM 0 HA PRO B 29 -10.667 2.548 6.013 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.518 5.296 6.337 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -9.077 4.311 6.179 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.329 6.149 4.152 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.653 5.659 4.297 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.522 4.600 2.419 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.952 3.910 2.780 1.00 0.00 H new ATOM 773 N THR B 30 -12.919 3.407 6.640 1.00 0.00 N ATOM 774 CA THR B 30 -14.365 3.703 6.853 1.00 0.00 C ATOM 775 C THR B 30 -14.512 5.070 7.524 1.00 0.00 C ATOM 776 O THR B 30 -15.583 5.341 8.042 1.00 0.00 O ATOM 777 CB THR B 30 -14.978 2.625 7.750 1.00 0.00 C ATOM 778 OG1 THR B 30 -14.212 1.433 7.647 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.416 2.351 7.308 1.00 0.00 C ATOM 780 OXT THR B 30 -13.553 5.823 7.507 1.00 0.00 O ATOM 0 H THR B 30 -12.447 2.958 7.425 1.00 0.00 H new ATOM 0 HA THR B 30 -14.880 3.713 5.893 1.00 0.00 H new ATOM 0 HB THR B 30 -14.977 2.968 8.785 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.603 0.742 8.222 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.853 1.583 7.947 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.002 3.267 7.388 1.00 0.00 H new ATOM 0 HG23 THR B 30 -16.420 2.008 6.274 1.00 0.00 H new TER 788 THR B 30