USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 382 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 21 ASN : amide:sc= 0.0018 X(o=-0.26,f=-0.14) USER MOD Set 1.2: B 52 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.14) USER MOD Set 2.1: A 8 THR OG1 : rot -73:sc= 1.2 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 177:sc= -0.221 (180deg=-0.329) USER MOD Single : A 5 GLN : amide:sc= -0.0292 X(o=-0.029,f=-0.41) USER MOD Single : A 12 SER OG : rot 180:sc=-0.00934 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 18 ASN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 ASN : amide:sc=-0.00427 X(o=-0.0043,f=-0.12) USER MOD Single : B 34 GLN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 0.436 K(o=0.44,f=-1.7!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 TYR OH : rot 180:sc= -0.0063 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -170:sc=-0.00578 (180deg=-0.111) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.194 1.414 -2.792 1.00 25.00 N ATOM 2 CA GLY A 1 3.479 0.217 -3.336 1.00 25.00 C ATOM 3 C GLY A 1 4.268 -1.062 -3.174 1.00 25.00 C ATOM 4 O GLY A 1 3.930 -2.141 -3.604 1.00 25.00 O ATOM 0 H1 GLY A 1 3.630 2.268 -2.975 1.00 25.00 H new ATOM 0 H2 GLY A 1 4.329 1.302 -1.767 1.00 25.00 H new ATOM 0 H3 GLY A 1 5.121 1.505 -3.255 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.519 0.112 -2.830 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.267 0.376 -4.393 1.00 25.00 H new ATOM 9 N ILE A 2 5.377 -0.888 -2.459 1.00 25.00 N ATOM 10 CA ILE A 2 6.348 -1.945 -2.159 1.00 25.00 C ATOM 11 C ILE A 2 5.671 -3.184 -1.550 1.00 25.00 C ATOM 12 O ILE A 2 5.940 -4.320 -1.954 1.00 25.00 O ATOM 13 CB ILE A 2 7.482 -1.397 -1.194 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.169 -2.557 -0.441 1.00 25.00 C ATOM 15 CG2 ILE A 2 6.909 -0.327 -0.191 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.380 -2.152 0.403 1.00 25.00 C ATOM 0 H ILE A 2 5.635 0.015 -2.060 1.00 25.00 H new ATOM 0 HA ILE A 2 6.804 -2.252 -3.100 1.00 25.00 H new ATOM 0 HB ILE A 2 8.235 -0.902 -1.807 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.435 -3.034 0.209 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.485 -3.305 -1.168 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.710 0.030 0.457 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.495 0.511 -0.751 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.126 -0.780 0.416 1.00 25.00 H new ATOM 0 HD11 ILE A 2 9.794 -3.034 0.893 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.138 -1.705 -0.240 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.072 -1.429 1.158 1.00 25.00 H new ATOM 28 N VAL A 3 4.785 -2.971 -0.586 1.00 25.00 N ATOM 29 CA VAL A 3 4.160 -4.085 0.124 1.00 25.00 C ATOM 30 C VAL A 3 3.234 -4.877 -0.794 1.00 25.00 C ATOM 31 O VAL A 3 3.319 -6.097 -0.855 1.00 25.00 O ATOM 32 CB VAL A 3 3.366 -3.590 1.372 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.788 -4.780 2.157 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.282 -2.761 2.292 1.00 25.00 C ATOM 0 H VAL A 3 4.483 -2.047 -0.278 1.00 25.00 H new ATOM 0 HA VAL A 3 4.964 -4.740 0.460 1.00 25.00 H new ATOM 0 HB VAL A 3 2.543 -2.965 1.024 1.00 25.00 H new ATOM 0 HG11 VAL A 3 2.238 -4.412 3.023 1.00 25.00 H new ATOM 0 HG12 VAL A 3 2.115 -5.347 1.514 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.601 -5.425 2.491 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.716 -2.422 3.159 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.118 -3.377 2.623 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.661 -1.897 1.746 1.00 25.00 H new ATOM 44 N GLU A 4 2.359 -4.197 -1.522 1.00 25.00 N ATOM 45 CA GLU A 4 1.425 -4.907 -2.393 1.00 25.00 C ATOM 46 C GLU A 4 2.185 -5.589 -3.532 1.00 25.00 C ATOM 47 O GLU A 4 1.843 -6.706 -3.916 1.00 25.00 O ATOM 48 CB GLU A 4 0.312 -3.980 -2.920 1.00 25.00 C ATOM 49 CG GLU A 4 0.769 -2.822 -3.804 1.00 25.00 C ATOM 50 CD GLU A 4 -0.367 -1.932 -4.218 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.405 -2.334 -4.638 1.00 25.00 O ATOM 52 OE2 GLU A 4 -0.122 -0.680 -4.056 1.00 25.00 O ATOM 0 H GLU A 4 2.274 -3.181 -1.531 1.00 25.00 H new ATOM 0 HA GLU A 4 0.928 -5.678 -1.804 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -0.399 -4.583 -3.484 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.226 -3.569 -2.066 1.00 25.00 H new ATOM 0 HG2 GLU A 4 1.512 -2.232 -3.268 1.00 25.00 H new ATOM 0 HG3 GLU A 4 1.258 -3.219 -4.694 1.00 25.00 H new ATOM 60 N GLN A 5 3.250 -4.957 -4.015 1.00 25.00 N ATOM 61 CA GLN A 5 4.072 -5.536 -5.070 1.00 25.00 C ATOM 62 C GLN A 5 4.683 -6.851 -4.612 1.00 25.00 C ATOM 63 O GLN A 5 4.571 -7.852 -5.300 1.00 25.00 O ATOM 64 CB GLN A 5 5.186 -4.557 -5.468 1.00 25.00 C ATOM 65 CG GLN A 5 6.071 -5.034 -6.619 1.00 25.00 C ATOM 66 CD GLN A 5 5.306 -5.213 -7.914 1.00 25.00 C ATOM 67 OE1 GLN A 5 4.411 -4.451 -8.227 1.00 25.00 O ATOM 68 NE2 GLN A 5 5.664 -6.215 -8.671 1.00 25.00 N ATOM 0 H GLN A 5 3.564 -4.042 -3.691 1.00 25.00 H new ATOM 0 HA GLN A 5 3.436 -5.728 -5.934 1.00 25.00 H new ATOM 0 HB2 GLN A 5 4.733 -3.605 -5.746 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.815 -4.369 -4.598 1.00 25.00 H new ATOM 0 HG2 GLN A 5 6.876 -4.315 -6.774 1.00 25.00 H new ATOM 0 HG3 GLN A 5 6.537 -5.980 -6.344 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.419 -6.833 -8.375 1.00 25.00 H new ATOM 0 HE22 GLN A 5 5.188 -6.379 -9.558 1.00 25.00 H new ATOM 77 N CYS A 6 5.326 -6.854 -3.453 1.00 25.00 N ATOM 78 CA CYS A 6 5.975 -8.066 -2.964 1.00 25.00 C ATOM 79 C CYS A 6 4.989 -9.129 -2.471 1.00 25.00 C ATOM 80 O CYS A 6 5.308 -10.316 -2.482 1.00 25.00 O ATOM 81 CB CYS A 6 6.951 -7.725 -1.843 1.00 25.00 C ATOM 82 SG CYS A 6 8.508 -6.966 -2.415 1.00 25.00 S ATOM 0 H CYS A 6 5.413 -6.044 -2.840 1.00 25.00 H new ATOM 0 HA CYS A 6 6.505 -8.491 -3.816 1.00 25.00 H new ATOM 0 HB2 CYS A 6 6.463 -7.045 -1.145 1.00 25.00 H new ATOM 0 HB3 CYS A 6 7.185 -8.635 -1.290 1.00 25.00 H new ATOM 87 N CYS A 7 3.807 -8.728 -2.027 1.00 25.00 N ATOM 88 CA CYS A 7 2.818 -9.705 -1.570 1.00 25.00 C ATOM 89 C CYS A 7 2.121 -10.410 -2.731 1.00 25.00 C ATOM 90 O CYS A 7 1.974 -11.627 -2.711 1.00 25.00 O ATOM 91 CB CYS A 7 1.756 -9.040 -0.691 1.00 25.00 C ATOM 92 SG CYS A 7 2.314 -8.724 1.013 1.00 25.00 S ATOM 0 H CYS A 7 3.509 -7.754 -1.972 1.00 25.00 H new ATOM 0 HA CYS A 7 3.368 -10.447 -0.992 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.457 -8.096 -1.148 1.00 25.00 H new ATOM 0 HB3 CYS A 7 0.870 -9.675 -0.663 1.00 25.00 H new ATOM 97 N THR A 8 1.652 -9.654 -3.714 1.00 25.00 N ATOM 98 CA THR A 8 0.870 -10.238 -4.808 1.00 25.00 C ATOM 99 C THR A 8 1.755 -10.812 -5.905 1.00 25.00 C ATOM 100 O THR A 8 1.463 -11.864 -6.471 1.00 25.00 O ATOM 101 CB THR A 8 -0.063 -9.189 -5.462 1.00 25.00 C ATOM 102 OG1 THR A 8 0.718 -8.108 -5.984 1.00 25.00 O ATOM 103 CG2 THR A 8 -1.048 -8.619 -4.447 1.00 25.00 C ATOM 0 H THR A 8 1.794 -8.646 -3.782 1.00 25.00 H new ATOM 0 HA THR A 8 0.284 -11.037 -4.354 1.00 25.00 H new ATOM 0 HB THR A 8 -0.616 -9.686 -6.259 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.053 -7.560 -5.244 1.00 25.00 H new ATOM 0 HG21 THR A 8 -1.690 -7.885 -4.935 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.660 -9.425 -4.042 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.499 -8.139 -3.637 1.00 25.00 H new ATOM 111 N SER A 9 2.845 -10.123 -6.196 1.00 25.00 N ATOM 112 CA SER A 9 3.756 -10.520 -7.259 1.00 25.00 C ATOM 113 C SER A 9 5.071 -10.929 -6.633 1.00 25.00 C ATOM 114 O SER A 9 5.291 -10.725 -5.442 1.00 25.00 O ATOM 115 CB SER A 9 3.964 -9.351 -8.218 1.00 25.00 C ATOM 116 OG SER A 9 2.723 -8.934 -8.758 1.00 25.00 O ATOM 0 H SER A 9 3.124 -9.274 -5.704 1.00 25.00 H new ATOM 0 HA SER A 9 3.342 -11.357 -7.821 1.00 25.00 H new ATOM 0 HB2 SER A 9 4.438 -8.521 -7.694 1.00 25.00 H new ATOM 0 HB3 SER A 9 4.638 -9.646 -9.022 1.00 25.00 H new ATOM 0 HG SER A 9 2.869 -8.183 -9.370 1.00 25.00 H new ATOM 122 N ILE A 10 5.943 -11.534 -7.415 1.00 25.00 N ATOM 123 CA ILE A 10 7.258 -11.905 -6.918 1.00 25.00 C ATOM 124 C ILE A 10 8.153 -10.696 -7.167 1.00 25.00 C ATOM 125 O ILE A 10 8.350 -10.300 -8.314 1.00 25.00 O ATOM 126 CB ILE A 10 7.830 -13.142 -7.666 1.00 25.00 C ATOM 127 CG1 ILE A 10 6.896 -14.369 -7.524 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.225 -13.474 -7.142 1.00 25.00 C ATOM 129 CD1 ILE A 10 6.846 -15.013 -6.117 1.00 25.00 C ATOM 0 H ILE A 10 5.769 -11.779 -8.390 1.00 25.00 H new ATOM 0 HA ILE A 10 7.204 -12.175 -5.863 1.00 25.00 H new ATOM 0 HB ILE A 10 7.896 -12.894 -8.725 1.00 25.00 H new ATOM 0 HG12 ILE A 10 5.886 -14.068 -7.802 1.00 25.00 H new ATOM 0 HG13 ILE A 10 7.211 -15.128 -8.240 1.00 25.00 H new ATOM 0 HG21 ILE A 10 9.616 -14.342 -7.673 1.00 25.00 H new ATOM 0 HG22 ILE A 10 9.886 -12.622 -7.302 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.170 -13.695 -6.076 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.163 -15.862 -6.130 1.00 25.00 H new ATOM 0 HD12 ILE A 10 7.843 -15.353 -5.837 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.497 -14.277 -5.392 1.00 25.00 H new ATOM 141 N CYS A 11 8.670 -10.087 -6.110 1.00 25.00 N ATOM 142 CA CYS A 11 9.559 -8.943 -6.271 1.00 25.00 C ATOM 143 C CYS A 11 11.007 -9.441 -6.275 1.00 25.00 C ATOM 144 O CYS A 11 11.447 -10.141 -5.366 1.00 25.00 O ATOM 145 CB CYS A 11 9.304 -7.883 -5.188 1.00 25.00 C ATOM 146 SG CYS A 11 9.426 -8.451 -3.462 1.00 25.00 S ATOM 0 H CYS A 11 8.493 -10.360 -5.143 1.00 25.00 H new ATOM 0 HA CYS A 11 9.360 -8.451 -7.223 1.00 25.00 H new ATOM 0 HB2 CYS A 11 10.014 -7.069 -5.332 1.00 25.00 H new ATOM 0 HB3 CYS A 11 8.308 -7.468 -5.343 1.00 25.00 H new ATOM 151 N SER A 12 11.715 -9.126 -7.350 1.00 25.00 N ATOM 152 CA SER A 12 13.100 -9.564 -7.529 1.00 25.00 C ATOM 153 C SER A 12 14.008 -8.802 -6.575 1.00 25.00 C ATOM 154 O SER A 12 13.694 -7.676 -6.187 1.00 25.00 O ATOM 155 CB SER A 12 13.542 -9.295 -8.972 1.00 25.00 C ATOM 156 OG SER A 12 14.921 -9.585 -9.158 1.00 25.00 O ATOM 0 H SER A 12 11.353 -8.564 -8.120 1.00 25.00 H new ATOM 0 HA SER A 12 13.167 -10.631 -7.319 1.00 25.00 H new ATOM 0 HB2 SER A 12 12.947 -9.901 -9.655 1.00 25.00 H new ATOM 0 HB3 SER A 12 13.352 -8.252 -9.223 1.00 25.00 H new ATOM 0 HG SER A 12 15.171 -9.405 -10.088 1.00 25.00 H new ATOM 162 N LEU A 13 15.161 -9.377 -6.255 1.00 25.00 N ATOM 163 CA LEU A 13 16.146 -8.711 -5.399 1.00 25.00 C ATOM 164 C LEU A 13 16.590 -7.373 -5.991 1.00 25.00 C ATOM 165 O LEU A 13 16.911 -6.454 -5.263 1.00 25.00 O ATOM 166 CB LEU A 13 17.366 -9.614 -5.172 1.00 25.00 C ATOM 167 CG LEU A 13 18.279 -9.892 -6.380 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.545 -9.043 -6.318 1.00 25.00 C ATOM 169 CD2 LEU A 13 18.650 -11.357 -6.420 1.00 25.00 C ATOM 0 H LEU A 13 15.441 -10.305 -6.574 1.00 25.00 H new ATOM 0 HA LEU A 13 15.665 -8.516 -4.440 1.00 25.00 H new ATOM 0 HB2 LEU A 13 17.975 -9.166 -4.386 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.010 -10.572 -4.792 1.00 25.00 H new ATOM 0 HG LEU A 13 17.732 -9.629 -7.286 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.171 -9.260 -7.183 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.275 -7.987 -6.321 1.00 25.00 H new ATOM 0 HD13 LEU A 13 20.094 -9.275 -5.405 1.00 25.00 H new ATOM 0 HD21 LEU A 13 19.296 -11.545 -7.277 1.00 25.00 H new ATOM 0 HD22 LEU A 13 19.176 -11.624 -5.504 1.00 25.00 H new ATOM 0 HD23 LEU A 13 17.746 -11.959 -6.508 1.00 25.00 H new ATOM 181 N TYR A 14 16.555 -7.253 -7.313 1.00 25.00 N ATOM 182 CA TYR A 14 16.936 -6.010 -7.981 1.00 25.00 C ATOM 183 C TYR A 14 15.974 -4.886 -7.601 1.00 25.00 C ATOM 184 O TYR A 14 16.378 -3.762 -7.331 1.00 25.00 O ATOM 185 CB TYR A 14 16.916 -6.220 -9.497 1.00 25.00 C ATOM 186 CG TYR A 14 17.477 -5.052 -10.275 1.00 25.00 C ATOM 187 CD1 TYR A 14 18.862 -4.941 -10.509 1.00 25.00 C ATOM 188 CD2 TYR A 14 16.628 -4.048 -10.791 1.00 25.00 C ATOM 189 CE1 TYR A 14 19.393 -3.853 -11.249 1.00 25.00 C ATOM 190 CE2 TYR A 14 17.158 -2.957 -11.532 1.00 25.00 C ATOM 191 CZ TYR A 14 18.534 -2.874 -11.756 1.00 25.00 C ATOM 192 OH TYR A 14 19.044 -1.827 -12.479 1.00 25.00 O ATOM 0 H TYR A 14 16.267 -8.000 -7.945 1.00 25.00 H new ATOM 0 HA TYR A 14 17.941 -5.730 -7.664 1.00 25.00 H new ATOM 0 HB2 TYR A 14 17.488 -7.116 -9.739 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.890 -6.400 -9.817 1.00 25.00 H new ATOM 0 HD1 TYR A 14 19.529 -5.695 -10.119 1.00 25.00 H new ATOM 0 HD2 TYR A 14 15.563 -4.110 -10.620 1.00 25.00 H new ATOM 0 HE1 TYR A 14 20.457 -3.782 -11.420 1.00 25.00 H new ATOM 0 HE2 TYR A 14 16.499 -2.195 -11.921 1.00 25.00 H new ATOM 0 HH TYR A 14 18.314 -1.237 -12.759 1.00 25.00 H new ATOM 202 N GLN A 15 14.692 -5.214 -7.541 1.00 25.00 N ATOM 203 CA GLN A 15 13.681 -4.247 -7.135 1.00 25.00 C ATOM 204 C GLN A 15 13.816 -4.000 -5.636 1.00 25.00 C ATOM 205 O GLN A 15 13.719 -2.875 -5.173 1.00 25.00 O ATOM 206 CB GLN A 15 12.281 -4.776 -7.463 1.00 25.00 C ATOM 207 CG GLN A 15 11.178 -3.749 -7.241 1.00 25.00 C ATOM 208 CD GLN A 15 9.822 -4.257 -7.678 1.00 25.00 C ATOM 209 OE1 GLN A 15 9.438 -5.379 -7.376 1.00 25.00 O ATOM 210 NE2 GLN A 15 9.097 -3.443 -8.399 1.00 25.00 N ATOM 0 H GLN A 15 14.327 -6.139 -7.767 1.00 25.00 H new ATOM 0 HA GLN A 15 13.826 -3.312 -7.676 1.00 25.00 H new ATOM 0 HB2 GLN A 15 12.259 -5.103 -8.503 1.00 25.00 H new ATOM 0 HB3 GLN A 15 12.079 -5.653 -6.849 1.00 25.00 H new ATOM 0 HG2 GLN A 15 11.140 -3.483 -6.185 1.00 25.00 H new ATOM 0 HG3 GLN A 15 11.417 -2.839 -7.791 1.00 25.00 H new ATOM 0 HE21 GLN A 15 9.450 -2.515 -8.631 1.00 25.00 H new ATOM 0 HE22 GLN A 15 8.178 -3.736 -8.730 1.00 25.00 H new ATOM 219 N LEU A 16 14.074 -5.060 -4.885 1.00 25.00 N ATOM 220 CA LEU A 16 14.215 -4.955 -3.437 1.00 25.00 C ATOM 221 C LEU A 16 15.358 -3.995 -3.076 1.00 25.00 C ATOM 222 O LEU A 16 15.216 -3.147 -2.198 1.00 25.00 O ATOM 223 CB LEU A 16 14.450 -6.353 -2.841 1.00 25.00 C ATOM 224 CG LEU A 16 13.792 -6.689 -1.490 1.00 25.00 C ATOM 225 CD1 LEU A 16 14.292 -5.804 -0.400 1.00 25.00 C ATOM 226 CD2 LEU A 16 12.266 -6.616 -1.559 1.00 25.00 C ATOM 0 H LEU A 16 14.190 -6.004 -5.253 1.00 25.00 H new ATOM 0 HA LEU A 16 13.298 -4.547 -3.013 1.00 25.00 H new ATOM 0 HB2 LEU A 16 14.107 -7.087 -3.570 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.526 -6.491 -2.731 1.00 25.00 H new ATOM 0 HG LEU A 16 14.073 -7.717 -1.261 1.00 25.00 H new ATOM 0 HD11 LEU A 16 13.805 -6.071 0.538 1.00 25.00 H new ATOM 0 HD12 LEU A 16 15.370 -5.927 -0.297 1.00 25.00 H new ATOM 0 HD13 LEU A 16 14.067 -4.765 -0.643 1.00 25.00 H new ATOM 0 HD21 LEU A 16 11.846 -6.861 -0.584 1.00 25.00 H new ATOM 0 HD22 LEU A 16 11.962 -5.608 -1.843 1.00 25.00 H new ATOM 0 HD23 LEU A 16 11.901 -7.327 -2.300 1.00 25.00 H new ATOM 238 N GLU A 17 16.458 -4.078 -3.812 1.00 25.00 N ATOM 239 CA GLU A 17 17.590 -3.176 -3.617 1.00 25.00 C ATOM 240 C GLU A 17 17.206 -1.724 -3.857 1.00 25.00 C ATOM 241 O GLU A 17 17.815 -0.830 -3.295 1.00 25.00 O ATOM 242 CB GLU A 17 18.728 -3.516 -4.582 1.00 25.00 C ATOM 243 CG GLU A 17 19.590 -4.689 -4.161 1.00 25.00 C ATOM 244 CD GLU A 17 20.712 -4.944 -5.124 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.764 -5.902 -5.843 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.610 -4.010 -5.130 1.00 25.00 O ATOM 0 H GLU A 17 16.593 -4.764 -4.554 1.00 25.00 H new ATOM 0 HA GLU A 17 17.909 -3.305 -2.583 1.00 25.00 H new ATOM 0 HB2 GLU A 17 18.302 -3.730 -5.562 1.00 25.00 H new ATOM 0 HB3 GLU A 17 19.364 -2.638 -4.695 1.00 25.00 H new ATOM 0 HG2 GLU A 17 20.001 -4.498 -3.170 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.971 -5.583 -4.083 1.00 25.00 H new ATOM 254 N ASN A 18 16.193 -1.479 -4.676 1.00 25.00 N ATOM 255 CA ASN A 18 15.803 -0.109 -4.988 1.00 25.00 C ATOM 256 C ASN A 18 15.154 0.548 -3.773 1.00 25.00 C ATOM 257 O ASN A 18 15.063 1.766 -3.698 1.00 25.00 O ATOM 258 CB ASN A 18 14.845 -0.091 -6.185 1.00 25.00 C ATOM 259 CG ASN A 18 14.704 1.279 -6.798 1.00 25.00 C ATOM 260 OD1 ASN A 18 13.615 1.812 -6.895 1.00 25.00 O ATOM 261 ND2 ASN A 18 15.797 1.833 -7.255 1.00 25.00 N ATOM 0 H ASN A 18 15.632 -2.199 -5.132 1.00 25.00 H new ATOM 0 HA ASN A 18 16.696 0.458 -5.250 1.00 25.00 H new ATOM 0 HB2 ASN A 18 15.204 -0.788 -6.942 1.00 25.00 H new ATOM 0 HB3 ASN A 18 13.865 -0.444 -5.866 1.00 25.00 H new ATOM 0 HD21 ASN A 18 15.754 2.744 -7.712 1.00 25.00 H new ATOM 0 HD22 ASN A 18 16.692 1.354 -7.154 1.00 25.00 H new ATOM 268 N TYR A 19 14.745 -0.260 -2.800 1.00 25.00 N ATOM 269 CA TYR A 19 14.167 0.271 -1.569 1.00 25.00 C ATOM 270 C TYR A 19 15.257 0.592 -0.538 1.00 25.00 C ATOM 271 O TYR A 19 14.972 1.143 0.523 1.00 25.00 O ATOM 272 CB TYR A 19 13.186 -0.735 -0.976 1.00 25.00 C ATOM 273 CG TYR A 19 12.132 -1.232 -1.949 1.00 25.00 C ATOM 274 CD1 TYR A 19 11.389 -0.337 -2.752 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.857 -2.609 -2.059 1.00 25.00 C ATOM 276 CE1 TYR A 19 10.394 -0.817 -3.652 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.857 -3.089 -2.952 1.00 25.00 C ATOM 278 CZ TYR A 19 10.137 -2.188 -3.736 1.00 25.00 C ATOM 279 OH TYR A 19 9.166 -2.658 -4.584 1.00 25.00 O ATOM 0 H TYR A 19 14.802 -1.278 -2.838 1.00 25.00 H new ATOM 0 HA TYR A 19 13.642 1.194 -1.816 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.746 -1.590 -0.598 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.687 -0.277 -0.122 1.00 25.00 H new ATOM 0 HD1 TYR A 19 11.578 0.724 -2.683 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.413 -3.312 -1.457 1.00 25.00 H new ATOM 0 HE1 TYR A 19 9.840 -0.123 -4.267 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.657 -4.148 -3.022 1.00 25.00 H new ATOM 0 HH TYR A 19 9.119 -3.635 -4.519 1.00 25.00 H new ATOM 289 N CYS A 20 16.500 0.242 -0.849 1.00 25.00 N ATOM 290 CA CYS A 20 17.633 0.538 0.026 1.00 25.00 C ATOM 291 C CYS A 20 18.381 1.725 -0.570 1.00 25.00 C ATOM 292 O CYS A 20 19.184 1.574 -1.485 1.00 25.00 O ATOM 293 CB CYS A 20 18.571 -0.670 0.132 1.00 25.00 C ATOM 294 SG CYS A 20 20.081 -0.361 1.118 1.00 25.00 S ATOM 0 H CYS A 20 16.752 -0.250 -1.706 1.00 25.00 H new ATOM 0 HA CYS A 20 17.276 0.769 1.030 1.00 25.00 H new ATOM 0 HB2 CYS A 20 18.025 -1.502 0.576 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.863 -0.979 -0.872 1.00 25.00 H new ATOM 299 N ASN A 21 18.064 2.919 -0.036 1.00 25.00 N ATOM 300 CA ASN A 21 18.608 4.229 -0.470 1.00 25.00 C ATOM 301 C ASN A 21 18.042 4.690 -1.821 1.00 25.00 C ATOM 302 O ASN A 21 17.233 5.584 -1.925 1.00 25.00 O ATOM 303 CB ASN A 21 20.155 4.299 -0.415 1.00 25.00 C ATOM 304 CG ASN A 21 20.617 5.723 -0.465 1.00 25.00 C ATOM 305 OD1 ASN A 21 20.621 6.398 -1.463 1.00 25.00 O ATOM 306 ND2 ASN A 21 21.036 6.226 0.687 1.00 25.00 N ATOM 307 OXT ASN A 21 18.441 4.027 -2.856 1.00 25.00 O ATOM 0 H ASN A 21 17.401 3.007 0.734 1.00 25.00 H new ATOM 0 HA ASN A 21 18.256 4.949 0.269 1.00 25.00 H new ATOM 0 HB2 ASN A 21 20.514 3.826 0.499 1.00 25.00 H new ATOM 0 HB3 ASN A 21 20.580 3.743 -1.250 1.00 25.00 H new ATOM 0 HD21 ASN A 21 21.365 7.190 0.733 1.00 25.00 H new ATOM 0 HD22 ASN A 21 21.030 5.649 1.528 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 19.901 -15.264 -2.685 1.00 25.00 N ATOM 317 CA PHE B 31 18.518 -14.743 -2.560 1.00 25.00 C ATOM 318 C PHE B 31 17.447 -15.702 -3.068 1.00 25.00 C ATOM 319 O PHE B 31 17.655 -16.505 -3.949 1.00 25.00 O ATOM 320 CB PHE B 31 18.430 -13.416 -3.325 1.00 25.00 C ATOM 321 CG PHE B 31 17.073 -12.748 -3.243 1.00 25.00 C ATOM 322 CD1 PHE B 31 16.772 -11.902 -2.170 1.00 25.00 C ATOM 323 CD2 PHE B 31 16.111 -12.984 -4.233 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.508 -11.315 -2.080 1.00 25.00 C ATOM 325 CE2 PHE B 31 14.855 -12.394 -4.138 1.00 25.00 C ATOM 326 CZ PHE B 31 14.547 -11.574 -3.058 1.00 25.00 C ATOM 0 HA PHE B 31 18.318 -14.609 -1.497 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.184 -12.733 -2.935 1.00 25.00 H new ATOM 0 HB3 PHE B 31 18.673 -13.595 -4.372 1.00 25.00 H new ATOM 0 HD1 PHE B 31 17.516 -11.703 -1.413 1.00 25.00 H new ATOM 0 HD2 PHE B 31 16.344 -13.624 -5.071 1.00 25.00 H new ATOM 0 HE1 PHE B 31 15.274 -10.660 -1.253 1.00 25.00 H new ATOM 0 HE2 PHE B 31 14.117 -12.573 -4.905 1.00 25.00 H new ATOM 0 HZ PHE B 31 13.563 -11.137 -2.976 1.00 25.00 H new ATOM 337 N VAL B 32 16.251 -15.612 -2.470 1.00 25.00 N ATOM 338 CA VAL B 32 15.119 -16.457 -2.844 1.00 25.00 C ATOM 339 C VAL B 32 13.985 -15.589 -3.363 1.00 25.00 C ATOM 340 O VAL B 32 13.449 -14.746 -2.644 1.00 25.00 O ATOM 341 CB VAL B 32 14.616 -17.283 -1.631 1.00 25.00 C ATOM 342 CG1 VAL B 32 13.401 -18.134 -2.025 1.00 25.00 C ATOM 343 CG2 VAL B 32 15.738 -18.180 -1.095 1.00 25.00 C ATOM 0 H VAL B 32 16.046 -14.954 -1.718 1.00 25.00 H new ATOM 0 HA VAL B 32 15.449 -17.146 -3.621 1.00 25.00 H new ATOM 0 HB VAL B 32 14.314 -16.591 -0.845 1.00 25.00 H new ATOM 0 HG11 VAL B 32 13.062 -18.706 -1.161 1.00 25.00 H new ATOM 0 HG12 VAL B 32 12.596 -17.483 -2.367 1.00 25.00 H new ATOM 0 HG13 VAL B 32 13.680 -18.818 -2.827 1.00 25.00 H new ATOM 0 HG21 VAL B 32 15.370 -18.753 -0.244 1.00 25.00 H new ATOM 0 HG22 VAL B 32 16.064 -18.863 -1.879 1.00 25.00 H new ATOM 0 HG23 VAL B 32 16.579 -17.562 -0.780 1.00 25.00 H new ATOM 353 N ASN B 33 13.611 -15.819 -4.613 1.00 25.00 N ATOM 354 CA ASN B 33 12.502 -15.104 -5.242 1.00 25.00 C ATOM 355 C ASN B 33 11.191 -15.661 -4.686 1.00 25.00 C ATOM 356 O ASN B 33 10.802 -16.780 -5.005 1.00 25.00 O ATOM 357 CB ASN B 33 12.556 -15.293 -6.763 1.00 25.00 C ATOM 358 CG ASN B 33 13.690 -14.533 -7.403 1.00 25.00 C ATOM 359 OD1 ASN B 33 13.821 -13.333 -7.232 1.00 25.00 O ATOM 360 ND2 ASN B 33 14.510 -15.226 -8.147 1.00 25.00 N ATOM 0 H ASN B 33 14.063 -16.503 -5.220 1.00 25.00 H new ATOM 0 HA ASN B 33 12.571 -14.038 -5.026 1.00 25.00 H new ATOM 0 HB2 ASN B 33 12.661 -16.354 -6.990 1.00 25.00 H new ATOM 0 HB3 ASN B 33 11.612 -14.966 -7.200 1.00 25.00 H new ATOM 0 HD21 ASN B 33 15.293 -14.764 -8.609 1.00 25.00 H new ATOM 0 HD22 ASN B 33 14.367 -16.229 -8.266 1.00 25.00 H new ATOM 367 N GLN B 34 10.539 -14.894 -3.826 1.00 25.00 N ATOM 368 CA GLN B 34 9.329 -15.343 -3.133 1.00 25.00 C ATOM 369 C GLN B 34 8.408 -14.156 -2.871 1.00 25.00 C ATOM 370 O GLN B 34 8.805 -13.007 -3.062 1.00 25.00 O ATOM 371 CB GLN B 34 9.722 -15.987 -1.794 1.00 25.00 C ATOM 372 CG GLN B 34 10.375 -15.006 -0.816 1.00 25.00 C ATOM 373 CD GLN B 34 10.891 -15.681 0.430 1.00 25.00 C ATOM 374 OE1 GLN B 34 10.130 -16.157 1.255 1.00 25.00 O ATOM 375 NE2 GLN B 34 12.187 -15.703 0.583 1.00 25.00 N ATOM 0 H GLN B 34 10.828 -13.946 -3.586 1.00 25.00 H new ATOM 0 HA GLN B 34 8.807 -16.070 -3.755 1.00 25.00 H new ATOM 0 HB2 GLN B 34 8.833 -16.414 -1.330 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.409 -16.811 -1.984 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.199 -14.496 -1.315 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.650 -14.242 -0.536 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.792 -15.294 -0.130 1.00 25.00 H new ATOM 0 HE22 GLN B 34 12.595 -16.129 1.415 1.00 25.00 H new ATOM 384 N HIS B 35 7.199 -14.421 -2.393 1.00 25.00 N ATOM 385 CA HIS B 35 6.309 -13.343 -1.969 1.00 25.00 C ATOM 386 C HIS B 35 6.740 -12.910 -0.579 1.00 25.00 C ATOM 387 O HIS B 35 7.076 -13.748 0.254 1.00 25.00 O ATOM 388 CB HIS B 35 4.847 -13.794 -1.928 1.00 25.00 C ATOM 389 CG HIS B 35 4.276 -14.087 -3.278 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.216 -13.144 -4.305 1.00 25.00 N ATOM 391 CD2 HIS B 35 3.718 -15.209 -3.806 1.00 25.00 C ATOM 392 CE1 HIS B 35 3.661 -13.709 -5.370 1.00 25.00 C ATOM 393 NE2 HIS B 35 3.346 -14.945 -5.087 1.00 25.00 N ATOM 0 H HIS B 35 6.814 -15.360 -2.289 1.00 25.00 H new ATOM 0 HA HIS B 35 6.377 -12.523 -2.684 1.00 25.00 H new ATOM 0 HB2 HIS B 35 4.767 -14.686 -1.307 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.249 -13.018 -1.450 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.544 -12.180 -4.247 1.00 25.00 H new ATOM 0 HD2 HIS B 35 3.592 -16.151 -3.294 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.496 -13.224 -6.321 1.00 25.00 H new ATOM 402 N LEU B 36 6.729 -11.613 -0.325 1.00 25.00 N ATOM 403 CA LEU B 36 7.168 -11.075 0.959 1.00 25.00 C ATOM 404 C LEU B 36 6.134 -10.098 1.510 1.00 25.00 C ATOM 405 O LEU B 36 5.811 -9.103 0.880 1.00 25.00 O ATOM 406 CB LEU B 36 8.516 -10.366 0.792 1.00 25.00 C ATOM 407 CG LEU B 36 9.737 -11.227 0.426 1.00 25.00 C ATOM 408 CD1 LEU B 36 10.890 -10.321 0.017 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.162 -12.111 1.603 1.00 25.00 C ATOM 0 H LEU B 36 6.420 -10.906 -0.992 1.00 25.00 H new ATOM 0 HA LEU B 36 7.279 -11.900 1.663 1.00 25.00 H new ATOM 0 HB2 LEU B 36 8.401 -9.603 0.022 1.00 25.00 H new ATOM 0 HB3 LEU B 36 8.739 -9.847 1.724 1.00 25.00 H new ATOM 0 HG LEU B 36 9.465 -11.878 -0.405 1.00 25.00 H new ATOM 0 HD11 LEU B 36 11.756 -10.929 -0.243 1.00 25.00 H new ATOM 0 HD12 LEU B 36 10.595 -9.723 -0.845 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.146 -9.661 0.846 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.027 -12.708 1.315 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.422 -11.483 2.455 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.340 -12.772 1.877 1.00 25.00 H new ATOM 421 N CYS B 37 5.637 -10.398 2.702 1.00 25.00 N ATOM 422 CA CYS B 37 4.645 -9.559 3.381 1.00 25.00 C ATOM 423 C CYS B 37 5.153 -9.233 4.788 1.00 25.00 C ATOM 424 O CYS B 37 6.352 -9.329 5.035 1.00 25.00 O ATOM 425 CB CYS B 37 3.293 -10.281 3.434 1.00 25.00 C ATOM 426 SG CYS B 37 2.586 -10.587 1.785 1.00 25.00 S ATOM 0 H CYS B 37 5.907 -11.228 3.230 1.00 25.00 H new ATOM 0 HA CYS B 37 4.503 -8.629 2.831 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.415 -11.232 3.953 1.00 25.00 H new ATOM 0 HB3 CYS B 37 2.592 -9.686 4.019 1.00 25.00 H new ATOM 431 N GLY B 38 4.254 -8.846 5.691 1.00 25.00 N ATOM 432 CA GLY B 38 4.628 -8.459 7.050 1.00 25.00 C ATOM 433 C GLY B 38 5.721 -9.294 7.703 1.00 25.00 C ATOM 434 O GLY B 38 5.733 -10.525 7.593 1.00 25.00 O ATOM 0 H GLY B 38 3.253 -8.792 5.503 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.953 -7.419 7.034 1.00 25.00 H new ATOM 0 HA3 GLY B 38 3.738 -8.505 7.678 1.00 25.00 H new ATOM 438 N SER B 39 6.658 -8.586 8.334 1.00 25.00 N ATOM 439 CA SER B 39 7.874 -9.139 8.965 1.00 25.00 C ATOM 440 C SER B 39 8.881 -9.787 8.002 1.00 25.00 C ATOM 441 O SER B 39 10.058 -9.457 8.035 1.00 25.00 O ATOM 442 CB SER B 39 7.513 -10.111 10.093 1.00 25.00 C ATOM 443 OG SER B 39 6.579 -9.510 10.975 1.00 25.00 O ATOM 0 H SER B 39 6.596 -7.572 8.428 1.00 25.00 H new ATOM 0 HA SER B 39 8.389 -8.268 9.371 1.00 25.00 H new ATOM 0 HB2 SER B 39 7.093 -11.026 9.675 1.00 25.00 H new ATOM 0 HB3 SER B 39 8.412 -10.394 10.641 1.00 25.00 H new ATOM 0 HG SER B 39 6.353 -10.140 11.691 1.00 25.00 H new ATOM 449 N HIS B 40 8.431 -10.672 7.125 1.00 25.00 N ATOM 450 CA HIS B 40 9.327 -11.338 6.175 1.00 25.00 C ATOM 451 C HIS B 40 9.949 -10.330 5.211 1.00 25.00 C ATOM 452 O HIS B 40 11.130 -10.408 4.904 1.00 25.00 O ATOM 453 CB HIS B 40 8.564 -12.411 5.391 1.00 25.00 C ATOM 454 CG HIS B 40 8.007 -13.501 6.255 1.00 25.00 C ATOM 455 ND1 HIS B 40 6.797 -14.153 5.996 1.00 25.00 N ATOM 456 CD2 HIS B 40 8.478 -14.089 7.390 1.00 25.00 C ATOM 457 CE1 HIS B 40 6.590 -15.063 6.944 1.00 25.00 C ATOM 458 NE2 HIS B 40 7.588 -15.039 7.786 1.00 25.00 N ATOM 0 H HIS B 40 7.453 -10.949 7.047 1.00 25.00 H new ATOM 0 HA HIS B 40 10.129 -11.811 6.741 1.00 25.00 H new ATOM 0 HB2 HIS B 40 7.748 -11.939 4.845 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.231 -12.851 4.650 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.402 -13.843 7.891 1.00 25.00 H new ATOM 0 HE1 HIS B 40 5.733 -15.717 7.007 1.00 25.00 H new ATOM 0 HE2 HIS B 40 7.685 -15.636 8.608 1.00 25.00 H new ATOM 467 N LEU B 41 9.153 -9.369 4.766 1.00 25.00 N ATOM 468 CA LEU B 41 9.629 -8.322 3.866 1.00 25.00 C ATOM 469 C LEU B 41 10.657 -7.453 4.560 1.00 25.00 C ATOM 470 O LEU B 41 11.682 -7.138 3.989 1.00 25.00 O ATOM 471 CB LEU B 41 8.442 -7.463 3.409 1.00 25.00 C ATOM 472 CG LEU B 41 8.717 -6.268 2.479 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.455 -6.657 1.206 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.376 -5.634 2.118 1.00 25.00 C ATOM 0 H LEU B 41 8.167 -9.290 5.014 1.00 25.00 H new ATOM 0 HA LEU B 41 10.098 -8.787 2.999 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.732 -8.119 2.905 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.945 -7.082 4.301 1.00 25.00 H new ATOM 0 HG LEU B 41 9.365 -5.570 3.009 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.618 -5.770 0.594 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.416 -7.101 1.464 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.860 -7.379 0.647 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.542 -4.783 1.458 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.751 -6.369 1.612 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.877 -5.297 3.026 1.00 25.00 H new ATOM 486 N VAL B 42 10.386 -7.094 5.806 1.00 25.00 N ATOM 487 CA VAL B 42 11.288 -6.239 6.578 1.00 25.00 C ATOM 488 C VAL B 42 12.620 -6.948 6.780 1.00 25.00 C ATOM 489 O VAL B 42 13.670 -6.359 6.606 1.00 25.00 O ATOM 490 CB VAL B 42 10.666 -5.891 7.968 1.00 25.00 C ATOM 491 CG1 VAL B 42 11.595 -4.998 8.797 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.303 -5.194 7.781 1.00 25.00 C ATOM 0 H VAL B 42 9.546 -7.381 6.309 1.00 25.00 H new ATOM 0 HA VAL B 42 11.444 -5.313 6.024 1.00 25.00 H new ATOM 0 HB VAL B 42 10.527 -6.827 8.510 1.00 25.00 H new ATOM 0 HG11 VAL B 42 11.127 -4.778 9.757 1.00 25.00 H new ATOM 0 HG12 VAL B 42 12.541 -5.513 8.964 1.00 25.00 H new ATOM 0 HG13 VAL B 42 11.779 -4.067 8.261 1.00 25.00 H new ATOM 0 HG21 VAL B 42 8.879 -4.956 8.757 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.439 -4.275 7.211 1.00 25.00 H new ATOM 0 HG23 VAL B 42 8.626 -5.857 7.243 1.00 25.00 H new ATOM 502 N GLU B 43 12.569 -8.227 7.116 1.00 25.00 N ATOM 503 CA GLU B 43 13.786 -8.993 7.364 1.00 25.00 C ATOM 504 C GLU B 43 14.600 -9.151 6.086 1.00 25.00 C ATOM 505 O GLU B 43 15.810 -8.985 6.093 1.00 25.00 O ATOM 506 CB GLU B 43 13.446 -10.372 7.939 1.00 25.00 C ATOM 507 CG GLU B 43 14.678 -11.164 8.388 1.00 25.00 C ATOM 508 CD GLU B 43 15.409 -10.497 9.519 1.00 25.00 C ATOM 509 OE1 GLU B 43 14.869 -10.049 10.488 1.00 25.00 O ATOM 510 OE2 GLU B 43 16.680 -10.434 9.344 1.00 25.00 O ATOM 0 H GLU B 43 11.704 -8.757 7.224 1.00 25.00 H new ATOM 0 HA GLU B 43 14.384 -8.444 8.091 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.774 -10.248 8.788 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.907 -10.948 7.187 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.371 -12.163 8.697 1.00 25.00 H new ATOM 0 HG3 GLU B 43 15.356 -11.286 7.543 1.00 25.00 H new ATOM 518 N ALA B 44 13.937 -9.454 4.980 1.00 25.00 N ATOM 519 CA ALA B 44 14.644 -9.600 3.719 1.00 25.00 C ATOM 520 C ALA B 44 15.282 -8.264 3.352 1.00 25.00 C ATOM 521 O ALA B 44 16.432 -8.216 2.971 1.00 25.00 O ATOM 522 CB ALA B 44 13.693 -10.071 2.626 1.00 25.00 C ATOM 0 H ALA B 44 12.929 -9.601 4.930 1.00 25.00 H new ATOM 0 HA ALA B 44 15.426 -10.353 3.821 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.239 -10.175 1.688 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.266 -11.034 2.906 1.00 25.00 H new ATOM 0 HB3 ALA B 44 12.893 -9.342 2.501 1.00 25.00 H new ATOM 528 N LEU B 45 14.541 -7.180 3.509 1.00 25.00 N ATOM 529 CA LEU B 45 15.055 -5.852 3.194 1.00 25.00 C ATOM 530 C LEU B 45 16.217 -5.463 4.099 1.00 25.00 C ATOM 531 O LEU B 45 17.170 -4.838 3.655 1.00 25.00 O ATOM 532 CB LEU B 45 13.922 -4.839 3.299 1.00 25.00 C ATOM 533 CG LEU B 45 14.068 -3.600 2.402 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.690 -3.289 1.835 1.00 25.00 C ATOM 535 CD2 LEU B 45 14.642 -2.390 3.123 1.00 25.00 C ATOM 0 H LEU B 45 13.581 -7.190 3.853 1.00 25.00 H new ATOM 0 HA LEU B 45 15.441 -5.863 2.175 1.00 25.00 H new ATOM 0 HB2 LEU B 45 12.985 -5.338 3.052 1.00 25.00 H new ATOM 0 HB3 LEU B 45 13.844 -4.511 4.335 1.00 25.00 H new ATOM 0 HG LEU B 45 14.786 -3.823 1.612 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.751 -2.412 1.190 1.00 25.00 H new ATOM 0 HD12 LEU B 45 12.334 -4.141 1.256 1.00 25.00 H new ATOM 0 HD13 LEU B 45 11.997 -3.091 2.652 1.00 25.00 H new ATOM 0 HD21 LEU B 45 14.716 -1.554 2.428 1.00 25.00 H new ATOM 0 HD22 LEU B 45 13.989 -2.116 3.951 1.00 25.00 H new ATOM 0 HD23 LEU B 45 15.633 -2.632 3.507 1.00 25.00 H new ATOM 547 N TYR B 46 16.163 -5.886 5.352 1.00 25.00 N ATOM 548 CA TYR B 46 17.250 -5.649 6.296 1.00 25.00 C ATOM 549 C TYR B 46 18.509 -6.355 5.808 1.00 25.00 C ATOM 550 O TYR B 46 19.582 -5.775 5.804 1.00 25.00 O ATOM 551 CB TYR B 46 16.865 -6.170 7.687 1.00 25.00 C ATOM 552 CG TYR B 46 18.023 -6.210 8.654 1.00 25.00 C ATOM 553 CD1 TYR B 46 18.420 -5.055 9.349 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.739 -7.407 8.874 1.00 25.00 C ATOM 555 CE1 TYR B 46 19.522 -5.081 10.241 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.844 -7.439 9.767 1.00 25.00 C ATOM 557 CZ TYR B 46 20.227 -6.272 10.437 1.00 25.00 C ATOM 558 OH TYR B 46 21.298 -6.297 11.292 1.00 25.00 O ATOM 0 H TYR B 46 15.373 -6.399 5.743 1.00 25.00 H new ATOM 0 HA TYR B 46 17.438 -4.578 6.363 1.00 25.00 H new ATOM 0 HB2 TYR B 46 16.079 -5.537 8.099 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.448 -7.172 7.589 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.877 -4.133 9.201 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.444 -8.308 8.358 1.00 25.00 H new ATOM 0 HE1 TYR B 46 19.815 -4.184 10.767 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.385 -8.360 9.928 1.00 25.00 H new ATOM 0 HH TYR B 46 21.676 -7.201 11.316 1.00 25.00 H new ATOM 568 N LEU B 47 18.367 -7.601 5.380 1.00 25.00 N ATOM 569 CA LEU B 47 19.512 -8.383 4.901 1.00 25.00 C ATOM 570 C LEU B 47 20.074 -7.825 3.588 1.00 25.00 C ATOM 571 O LEU B 47 21.276 -7.836 3.371 1.00 25.00 O ATOM 572 CB LEU B 47 19.088 -9.842 4.693 1.00 25.00 C ATOM 573 CG LEU B 47 18.691 -10.611 5.966 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.923 -11.875 5.576 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.914 -10.974 6.806 1.00 25.00 C ATOM 0 H LEU B 47 17.476 -8.096 5.352 1.00 25.00 H new ATOM 0 HA LEU B 47 20.296 -8.321 5.656 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.245 -9.861 4.002 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.908 -10.374 4.211 1.00 25.00 H new ATOM 0 HG LEU B 47 18.056 -9.967 6.573 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.641 -12.421 6.476 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.025 -11.599 5.022 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.555 -12.506 4.951 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.596 -11.516 7.697 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.585 -11.602 6.220 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.435 -10.064 7.102 1.00 25.00 H new ATOM 587 N VAL B 48 19.191 -7.354 2.718 1.00 25.00 N ATOM 588 CA VAL B 48 19.585 -6.795 1.417 1.00 25.00 C ATOM 589 C VAL B 48 20.296 -5.452 1.595 1.00 25.00 C ATOM 590 O VAL B 48 21.282 -5.162 0.922 1.00 25.00 O ATOM 591 CB VAL B 48 18.318 -6.608 0.512 1.00 25.00 C ATOM 592 CG1 VAL B 48 18.618 -5.802 -0.748 1.00 25.00 C ATOM 593 CG2 VAL B 48 17.760 -7.973 0.104 1.00 25.00 C ATOM 0 H VAL B 48 18.185 -7.345 2.886 1.00 25.00 H new ATOM 0 HA VAL B 48 20.274 -7.491 0.938 1.00 25.00 H new ATOM 0 HB VAL B 48 17.586 -6.056 1.102 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.709 -5.701 -1.340 1.00 25.00 H new ATOM 0 HG12 VAL B 48 18.981 -4.813 -0.469 1.00 25.00 H new ATOM 0 HG13 VAL B 48 19.379 -6.316 -1.336 1.00 25.00 H new ATOM 0 HG21 VAL B 48 16.880 -7.833 -0.524 1.00 25.00 H new ATOM 0 HG22 VAL B 48 18.518 -8.525 -0.451 1.00 25.00 H new ATOM 0 HG23 VAL B 48 17.483 -8.534 0.996 1.00 25.00 H new ATOM 603 N CYS B 49 19.774 -4.620 2.483 1.00 25.00 N ATOM 604 CA CYS B 49 20.323 -3.280 2.682 1.00 25.00 C ATOM 605 C CYS B 49 21.569 -3.292 3.577 1.00 25.00 C ATOM 606 O CYS B 49 22.551 -2.598 3.303 1.00 25.00 O ATOM 607 CB CYS B 49 19.238 -2.369 3.271 1.00 25.00 C ATOM 608 SG CYS B 49 19.522 -0.578 3.065 1.00 25.00 S ATOM 0 H CYS B 49 18.975 -4.844 3.076 1.00 25.00 H new ATOM 0 HA CYS B 49 20.639 -2.894 1.713 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.284 -2.624 2.810 1.00 25.00 H new ATOM 0 HB3 CYS B 49 19.145 -2.585 4.335 1.00 25.00 H new ATOM 613 N GLY B 50 21.530 -4.097 4.631 1.00 25.00 N ATOM 614 CA GLY B 50 22.674 -4.299 5.509 1.00 25.00 C ATOM 615 C GLY B 50 23.101 -3.141 6.399 1.00 25.00 C ATOM 616 O GLY B 50 22.946 -3.178 7.610 1.00 25.00 O ATOM 0 H GLY B 50 20.703 -4.629 4.901 1.00 25.00 H new ATOM 0 HA2 GLY B 50 22.456 -5.152 6.152 1.00 25.00 H new ATOM 0 HA3 GLY B 50 23.527 -4.577 4.889 1.00 25.00 H new ATOM 620 N GLU B 51 23.720 -2.143 5.791 1.00 25.00 N ATOM 621 CA GLU B 51 24.412 -1.079 6.521 1.00 25.00 C ATOM 622 C GLU B 51 23.514 -0.073 7.239 1.00 25.00 C ATOM 623 O GLU B 51 23.895 0.462 8.274 1.00 25.00 O ATOM 624 CB GLU B 51 25.319 -0.299 5.556 1.00 25.00 C ATOM 625 CG GLU B 51 26.497 -1.115 4.988 1.00 25.00 C ATOM 626 CD GLU B 51 26.062 -2.141 3.977 1.00 25.00 C ATOM 627 OE1 GLU B 51 26.238 -3.314 4.105 1.00 25.00 O ATOM 628 OE2 GLU B 51 25.432 -1.641 2.973 1.00 25.00 O ATOM 0 H GLU B 51 23.760 -2.042 4.777 1.00 25.00 H new ATOM 0 HA GLU B 51 24.970 -1.600 7.299 1.00 25.00 H new ATOM 0 HB2 GLU B 51 24.715 0.069 4.727 1.00 25.00 H new ATOM 0 HB3 GLU B 51 25.715 0.574 6.075 1.00 25.00 H new ATOM 0 HG2 GLU B 51 27.213 -0.436 4.525 1.00 25.00 H new ATOM 0 HG3 GLU B 51 27.015 -1.615 5.807 1.00 25.00 H new ATOM 636 N GLN B 52 22.360 0.243 6.664 1.00 25.00 N ATOM 637 CA GLN B 52 21.496 1.294 7.224 1.00 25.00 C ATOM 638 C GLN B 52 19.999 0.993 7.078 1.00 25.00 C ATOM 639 O GLN B 52 19.165 1.896 7.072 1.00 25.00 O ATOM 640 CB GLN B 52 21.846 2.645 6.572 1.00 25.00 C ATOM 641 CG GLN B 52 21.719 2.677 5.034 1.00 25.00 C ATOM 642 CD GLN B 52 22.120 4.022 4.440 1.00 25.00 C ATOM 643 OE1 GLN B 52 21.409 4.588 3.620 1.00 25.00 O ATOM 644 NE2 GLN B 52 23.265 4.524 4.834 1.00 25.00 N ATOM 0 H GLN B 52 21.998 -0.202 5.821 1.00 25.00 H new ATOM 0 HA GLN B 52 21.689 1.334 8.296 1.00 25.00 H new ATOM 0 HB2 GLN B 52 21.197 3.413 6.992 1.00 25.00 H new ATOM 0 HB3 GLN B 52 22.868 2.909 6.843 1.00 25.00 H new ATOM 0 HG2 GLN B 52 22.344 1.894 4.605 1.00 25.00 H new ATOM 0 HG3 GLN B 52 20.690 2.453 4.753 1.00 25.00 H new ATOM 0 HE21 GLN B 52 23.832 4.025 5.519 1.00 25.00 H new ATOM 0 HE22 GLN B 52 23.589 5.414 4.455 1.00 25.00 H new ATOM 653 N GLY B 53 19.660 -0.282 6.965 1.00 25.00 N ATOM 654 CA GLY B 53 18.264 -0.667 6.834 1.00 25.00 C ATOM 655 C GLY B 53 17.610 -0.885 8.184 1.00 25.00 C ATOM 656 O GLY B 53 17.924 -1.860 8.839 1.00 25.00 O ATOM 0 H GLY B 53 20.322 -1.058 6.961 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.723 0.107 6.289 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.193 -1.581 6.244 1.00 25.00 H new ATOM 660 N PHE B 54 16.689 0.004 8.561 1.00 25.00 N ATOM 661 CA PHE B 54 15.912 -0.055 9.817 1.00 25.00 C ATOM 662 C PHE B 54 16.735 0.158 11.093 1.00 25.00 C ATOM 663 O PHE B 54 17.746 -0.477 11.325 1.00 25.00 O ATOM 664 CB PHE B 54 15.121 -1.371 9.949 1.00 25.00 C ATOM 665 CG PHE B 54 14.375 -1.762 8.704 1.00 25.00 C ATOM 666 CD1 PHE B 54 13.153 -1.142 8.370 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.879 -2.773 7.869 1.00 25.00 C ATOM 668 CE1 PHE B 54 12.445 -1.529 7.201 1.00 25.00 C ATOM 669 CE2 PHE B 54 14.188 -3.162 6.706 1.00 25.00 C ATOM 670 CZ PHE B 54 12.964 -2.541 6.370 1.00 25.00 C ATOM 0 H PHE B 54 16.450 0.813 7.988 1.00 25.00 H new ATOM 0 HA PHE B 54 15.226 0.788 9.732 1.00 25.00 H new ATOM 0 HB2 PHE B 54 15.810 -2.173 10.214 1.00 25.00 H new ATOM 0 HB3 PHE B 54 14.411 -1.276 10.771 1.00 25.00 H new ATOM 0 HD1 PHE B 54 12.753 -0.368 9.008 1.00 25.00 H new ATOM 0 HD2 PHE B 54 15.810 -3.259 8.123 1.00 25.00 H new ATOM 0 HE1 PHE B 54 11.511 -1.048 6.950 1.00 25.00 H new ATOM 0 HE2 PHE B 54 14.593 -3.935 6.070 1.00 25.00 H new ATOM 0 HZ PHE B 54 12.429 -2.841 5.481 1.00 25.00 H new ATOM 680 N PHE B 55 16.242 1.043 11.944 1.00 25.00 N ATOM 681 CA PHE B 55 16.902 1.342 13.221 1.00 25.00 C ATOM 682 C PHE B 55 16.111 0.810 14.429 1.00 25.00 C ATOM 683 O PHE B 55 16.086 1.428 15.476 1.00 25.00 O ATOM 684 CB PHE B 55 17.149 2.851 13.334 1.00 25.00 C ATOM 685 CG PHE B 55 18.388 3.201 14.122 1.00 25.00 C ATOM 686 CD1 PHE B 55 19.660 3.104 13.523 1.00 25.00 C ATOM 687 CD2 PHE B 55 18.297 3.615 15.464 1.00 25.00 C ATOM 688 CE1 PHE B 55 20.833 3.417 14.254 1.00 25.00 C ATOM 689 CE2 PHE B 55 19.464 3.931 16.208 1.00 25.00 C ATOM 690 CZ PHE B 55 20.732 3.830 15.600 1.00 25.00 C ATOM 0 H PHE B 55 15.385 1.572 11.780 1.00 25.00 H new ATOM 0 HA PHE B 55 17.860 0.823 13.234 1.00 25.00 H new ATOM 0 HB2 PHE B 55 17.234 3.273 12.333 1.00 25.00 H new ATOM 0 HB3 PHE B 55 16.284 3.318 13.805 1.00 25.00 H new ATOM 0 HD1 PHE B 55 19.742 2.787 12.494 1.00 25.00 H new ATOM 0 HD2 PHE B 55 17.328 3.693 15.934 1.00 25.00 H new ATOM 0 HE1 PHE B 55 21.802 3.340 13.783 1.00 25.00 H new ATOM 0 HE2 PHE B 55 19.381 4.248 17.237 1.00 25.00 H new ATOM 0 HZ PHE B 55 21.623 4.068 16.162 1.00 25.00 H new ATOM 700 N TYR B 56 15.493 -0.357 14.242 1.00 25.00 N ATOM 701 CA TYR B 56 14.738 -1.094 15.285 1.00 25.00 C ATOM 702 C TYR B 56 13.576 -0.362 15.994 1.00 25.00 C ATOM 703 O TYR B 56 13.764 0.589 16.737 1.00 25.00 O ATOM 704 CB TYR B 56 15.714 -1.626 16.345 1.00 25.00 C ATOM 705 CG TYR B 56 15.044 -2.454 17.423 1.00 25.00 C ATOM 706 CD1 TYR B 56 14.603 -3.768 17.159 1.00 25.00 C ATOM 707 CD2 TYR B 56 14.850 -1.931 18.719 1.00 25.00 C ATOM 708 CE1 TYR B 56 13.990 -4.549 18.176 1.00 25.00 C ATOM 709 CE2 TYR B 56 14.242 -2.713 19.739 1.00 25.00 C ATOM 710 CZ TYR B 56 13.822 -4.016 19.456 1.00 25.00 C ATOM 711 OH TYR B 56 13.245 -4.779 20.438 1.00 25.00 O ATOM 0 H TYR B 56 15.497 -0.837 13.342 1.00 25.00 H new ATOM 0 HA TYR B 56 14.241 -1.884 14.721 1.00 25.00 H new ATOM 0 HB2 TYR B 56 16.476 -2.231 15.854 1.00 25.00 H new ATOM 0 HB3 TYR B 56 16.226 -0.784 16.811 1.00 25.00 H new ATOM 0 HD1 TYR B 56 14.733 -4.186 16.172 1.00 25.00 H new ATOM 0 HD2 TYR B 56 15.168 -0.923 18.939 1.00 25.00 H new ATOM 0 HE1 TYR B 56 13.655 -5.553 17.959 1.00 25.00 H new ATOM 0 HE2 TYR B 56 14.105 -2.302 20.728 1.00 25.00 H new ATOM 0 HH TYR B 56 13.202 -4.263 21.270 1.00 25.00 H new ATOM 721 N THR B 57 12.364 -0.873 15.813 1.00 25.00 N ATOM 722 CA THR B 57 11.190 -0.329 16.506 1.00 25.00 C ATOM 723 C THR B 57 10.383 -1.464 17.169 1.00 25.00 C ATOM 724 O THR B 57 9.774 -2.297 16.483 1.00 25.00 O ATOM 725 CB THR B 57 10.288 0.509 15.544 1.00 25.00 C ATOM 726 OG1 THR B 57 8.973 0.635 16.094 1.00 25.00 O ATOM 727 CG2 THR B 57 10.175 -0.124 14.150 1.00 25.00 C ATOM 0 H THR B 57 12.163 -1.660 15.196 1.00 25.00 H new ATOM 0 HA THR B 57 11.546 0.346 17.285 1.00 25.00 H new ATOM 0 HB THR B 57 10.760 1.486 15.440 1.00 25.00 H new ATOM 0 HG1 THR B 57 8.414 1.163 15.487 1.00 25.00 H new ATOM 0 HG21 THR B 57 9.538 0.496 13.519 1.00 25.00 H new ATOM 0 HG22 THR B 57 11.166 -0.198 13.703 1.00 25.00 H new ATOM 0 HG23 THR B 57 9.740 -1.120 14.237 1.00 25.00 H new ATOM 735 N PRO B 58 10.417 -1.555 18.513 1.00 25.00 N ATOM 736 CA PRO B 58 9.633 -2.629 19.133 1.00 25.00 C ATOM 737 C PRO B 58 8.144 -2.289 19.229 1.00 25.00 C ATOM 738 O PRO B 58 7.767 -1.127 19.408 1.00 25.00 O ATOM 739 CB PRO B 58 10.249 -2.731 20.528 1.00 25.00 C ATOM 740 CG PRO B 58 10.666 -1.341 20.842 1.00 25.00 C ATOM 741 CD PRO B 58 11.132 -0.752 19.527 1.00 25.00 C ATOM 0 HA PRO B 58 9.670 -3.554 18.557 1.00 25.00 H new ATOM 0 HB2 PRO B 58 9.529 -3.105 21.256 1.00 25.00 H new ATOM 0 HB3 PRO B 58 11.098 -3.414 20.540 1.00 25.00 H new ATOM 0 HG2 PRO B 58 9.838 -0.767 21.258 1.00 25.00 H new ATOM 0 HG3 PRO B 58 11.465 -1.329 21.583 1.00 25.00 H new ATOM 0 HD2 PRO B 58 10.881 0.306 19.450 1.00 25.00 H new ATOM 0 HD3 PRO B 58 12.213 -0.832 19.413 1.00 25.00 H new ATOM 749 N LYS B 59 7.286 -3.299 19.162 1.00 25.00 N ATOM 750 CA LYS B 59 5.853 -3.069 19.357 1.00 25.00 C ATOM 751 C LYS B 59 5.564 -3.058 20.854 1.00 25.00 C ATOM 752 O LYS B 59 5.287 -4.089 21.461 1.00 25.00 O ATOM 753 CB LYS B 59 5.002 -4.138 18.658 1.00 25.00 C ATOM 754 CG LYS B 59 3.504 -3.818 18.714 1.00 25.00 C ATOM 755 CD LYS B 59 2.658 -4.986 18.223 1.00 25.00 C ATOM 756 CE LYS B 59 1.160 -4.658 18.298 1.00 25.00 C ATOM 757 NZ LYS B 59 0.689 -4.462 19.722 1.00 25.00 N ATOM 0 H LYS B 59 7.546 -4.268 18.978 1.00 25.00 H new ATOM 0 HA LYS B 59 5.587 -2.110 18.912 1.00 25.00 H new ATOM 0 HB2 LYS B 59 5.314 -4.224 17.617 1.00 25.00 H new ATOM 0 HB3 LYS B 59 5.182 -5.106 19.126 1.00 25.00 H new ATOM 0 HG2 LYS B 59 3.223 -3.571 19.738 1.00 25.00 H new ATOM 0 HG3 LYS B 59 3.297 -2.938 18.105 1.00 25.00 H new ATOM 0 HD2 LYS B 59 2.929 -5.228 17.195 1.00 25.00 H new ATOM 0 HD3 LYS B 59 2.870 -5.870 18.825 1.00 25.00 H new ATOM 0 HE2 LYS B 59 0.958 -3.754 17.723 1.00 25.00 H new ATOM 0 HE3 LYS B 59 0.590 -5.464 17.836 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 -0.350 -4.411 19.740 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 1.007 -5.262 20.306 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 1.085 -3.578 20.100 1.00 25.00 H new ATOM 771 N THR B 60 5.647 -1.876 21.452 1.00 25.00 N ATOM 772 CA THR B 60 5.384 -1.705 22.891 1.00 25.00 C ATOM 773 C THR B 60 4.408 -0.572 23.177 1.00 25.00 C ATOM 774 O THR B 60 3.304 -0.764 23.628 1.00 25.00 O ATOM 775 CB THR B 60 6.687 -1.539 23.707 1.00 25.00 C ATOM 776 OG1 THR B 60 7.676 -2.387 23.136 1.00 25.00 O ATOM 777 CG2 THR B 60 6.494 -1.961 25.169 1.00 25.00 C ATOM 778 OXT THR B 60 4.815 0.610 22.797 1.00 25.00 O ATOM 0 H THR B 60 5.895 -1.013 20.968 1.00 25.00 H new ATOM 0 HA THR B 60 4.907 -2.628 23.219 1.00 25.00 H new ATOM 0 HB THR B 60 6.980 -0.489 23.681 1.00 25.00 H new ATOM 0 HG1 THR B 60 8.513 -2.297 23.637 1.00 25.00 H new ATOM 0 HG21 THR B 60 7.430 -1.831 25.712 1.00 25.00 H new ATOM 0 HG22 THR B 60 5.720 -1.344 25.627 1.00 25.00 H new ATOM 0 HG23 THR B 60 6.194 -3.008 25.209 1.00 25.00 H new TER 787 THR B 60