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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc=0.000593 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.039) USER MOD Single : B 1 PHE N :NH3+ 145:sc= 0.0438 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.5) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -8.74! C(o=-8.7!,f=-12!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.19 USER MOD Single : B 10 HIS :FLIP no HD1:sc= -4.03! C(o=-5.2!,f=-4!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 97:sc= -0.432 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.093) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.206 5.926 3.764 1.00 0.00 N ATOM 2 CA GLY A 1 -7.274 4.750 4.052 1.00 0.00 C ATOM 3 C GLY A 1 -5.965 4.666 3.345 1.00 0.00 C ATOM 4 O GLY A 1 -5.334 5.666 3.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.070 5.833 4.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.726 6.817 4.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.458 5.930 2.755 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.069 4.750 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.824 3.835 3.833 1.00 0.00 H new ATOM 10 N ILE A 2 -5.522 3.478 3.035 1.00 0.00 N ATOM 11 CA ILE A 2 -4.220 3.330 2.326 1.00 0.00 C ATOM 12 C ILE A 2 -4.243 4.163 1.047 1.00 0.00 C ATOM 13 O ILE A 2 -3.220 4.598 0.556 1.00 0.00 O ATOM 14 CB ILE A 2 -3.996 1.860 1.975 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.552 1.661 1.509 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.953 1.453 0.856 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.404 0.271 0.886 1.00 0.00 C ATOM 0 H ILE A 2 -6.005 2.604 3.242 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.412 3.675 2.970 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.182 1.244 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.284 2.428 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.869 1.768 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.794 0.404 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.982 1.595 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.767 2.069 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.376 0.129 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.654 -0.488 1.627 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.076 0.181 0.033 1.00 0.00 H new ATOM 29 N VAL A 3 -5.403 4.389 0.508 1.00 0.00 N ATOM 30 CA VAL A 3 -5.503 5.196 -0.738 1.00 0.00 C ATOM 31 C VAL A 3 -5.247 6.664 -0.406 1.00 0.00 C ATOM 32 O VAL A 3 -4.342 7.279 -0.931 1.00 0.00 O ATOM 33 CB VAL A 3 -6.901 5.042 -1.335 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.844 5.303 -2.840 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.403 3.620 -1.081 1.00 0.00 C ATOM 0 H VAL A 3 -6.291 4.049 0.877 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.764 4.850 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.579 5.758 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.841 5.193 -3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.482 6.315 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.168 4.587 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.400 3.505 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.725 2.906 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.442 3.434 -0.008 1.00 0.00 H new ATOM 45 N GLU A 4 -6.034 7.232 0.466 1.00 0.00 N ATOM 46 CA GLU A 4 -5.826 8.660 0.831 1.00 0.00 C ATOM 47 C GLU A 4 -4.561 8.780 1.680 1.00 0.00 C ATOM 48 O GLU A 4 -3.951 9.826 1.761 1.00 0.00 O ATOM 49 CB GLU A 4 -7.030 9.165 1.629 1.00 0.00 C ATOM 50 CG GLU A 4 -8.308 8.945 0.820 1.00 0.00 C ATOM 51 CD GLU A 4 -9.352 9.988 1.219 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.170 11.143 0.870 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.315 9.616 1.868 1.00 0.00 O ATOM 0 H GLU A 4 -6.810 6.770 0.940 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.719 9.259 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.095 8.639 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.910 10.224 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.093 9.020 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.695 7.942 0.998 1.00 0.00 H new ATOM 60 N GLN A 5 -4.161 7.713 2.308 1.00 0.00 N ATOM 61 CA GLN A 5 -2.934 7.759 3.151 1.00 0.00 C ATOM 62 C GLN A 5 -1.703 7.797 2.248 1.00 0.00 C ATOM 63 O GLN A 5 -0.700 8.409 2.565 1.00 0.00 O ATOM 64 CB GLN A 5 -2.877 6.516 4.042 1.00 0.00 C ATOM 65 CG GLN A 5 -1.707 6.639 5.018 1.00 0.00 C ATOM 66 CD GLN A 5 -1.794 5.528 6.066 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.963 5.796 7.239 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.691 4.284 5.690 1.00 0.00 N ATOM 0 H GLN A 5 -4.631 6.808 2.275 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.955 8.651 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.812 6.407 4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.761 5.622 3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.762 6.571 4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.727 7.614 5.505 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.549 4.059 4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.752 3.536 6.381 1.00 0.00 H new ATOM 77 N CYS A 6 -1.779 7.149 1.124 1.00 0.00 N ATOM 78 CA CYS A 6 -0.625 7.137 0.183 1.00 0.00 C ATOM 79 C CYS A 6 -0.923 8.061 -0.992 1.00 0.00 C ATOM 80 O CYS A 6 -0.032 8.551 -1.658 1.00 0.00 O ATOM 81 CB CYS A 6 -0.406 5.714 -0.328 1.00 0.00 C ATOM 82 SG CYS A 6 -0.377 4.581 1.079 1.00 0.00 S ATOM 0 H CYS A 6 -2.595 6.623 0.812 1.00 0.00 H new ATOM 0 HA CYS A 6 0.273 7.481 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.202 5.436 -1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.532 5.653 -0.880 1.00 0.00 H new ATOM 87 N CYS A 7 -2.174 8.302 -1.251 1.00 0.00 N ATOM 88 CA CYS A 7 -2.543 9.192 -2.382 1.00 0.00 C ATOM 89 C CYS A 7 -2.733 10.620 -1.866 1.00 0.00 C ATOM 90 O CYS A 7 -2.381 11.578 -2.526 1.00 0.00 O ATOM 91 CB CYS A 7 -3.831 8.673 -3.024 1.00 0.00 C ATOM 92 SG CYS A 7 -4.078 9.473 -4.628 1.00 0.00 S ATOM 0 H CYS A 7 -2.960 7.919 -0.726 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.751 9.198 -3.131 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.776 7.592 -3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.681 8.874 -2.372 1.00 0.00 H new ATOM 97 N THR A 8 -3.258 10.776 -0.680 1.00 0.00 N ATOM 98 CA THR A 8 -3.429 12.147 -0.125 1.00 0.00 C ATOM 99 C THR A 8 -2.114 12.545 0.560 1.00 0.00 C ATOM 100 O THR A 8 -1.787 13.708 0.689 1.00 0.00 O ATOM 101 CB THR A 8 -4.614 12.161 0.868 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.477 13.243 0.547 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.133 12.317 2.319 1.00 0.00 C ATOM 0 H THR A 8 -3.574 10.017 -0.076 1.00 0.00 H new ATOM 0 HA THR A 8 -3.655 12.865 -0.913 1.00 0.00 H new ATOM 0 HB THR A 8 -5.140 11.210 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.232 13.256 1.172 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.993 12.323 2.989 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.478 11.485 2.577 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.586 13.254 2.422 1.00 0.00 H new ATOM 111 N SER A 9 -1.357 11.568 0.981 1.00 0.00 N ATOM 112 CA SER A 9 -0.053 11.846 1.645 1.00 0.00 C ATOM 113 C SER A 9 0.987 10.859 1.095 1.00 0.00 C ATOM 114 O SER A 9 1.140 10.725 -0.103 1.00 0.00 O ATOM 115 CB SER A 9 -0.205 11.675 3.157 1.00 0.00 C ATOM 116 OG SER A 9 0.890 12.300 3.814 1.00 0.00 O ATOM 0 H SER A 9 -1.590 10.579 0.892 1.00 0.00 H new ATOM 0 HA SER A 9 0.270 12.868 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.144 12.116 3.492 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.241 10.616 3.413 1.00 0.00 H new ATOM 0 HG SER A 9 0.794 12.193 4.783 1.00 0.00 H new ATOM 122 N ILE A 10 1.695 10.153 1.941 1.00 0.00 N ATOM 123 CA ILE A 10 2.697 9.177 1.423 1.00 0.00 C ATOM 124 C ILE A 10 2.769 7.960 2.340 1.00 0.00 C ATOM 125 O ILE A 10 2.375 8.008 3.489 1.00 0.00 O ATOM 126 CB ILE A 10 4.092 9.799 1.380 1.00 0.00 C ATOM 127 CG1 ILE A 10 4.076 11.113 0.614 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.047 8.841 0.695 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.114 12.256 1.615 1.00 0.00 C ATOM 0 H ILE A 10 1.623 10.210 2.957 1.00 0.00 H new ATOM 0 HA ILE A 10 2.383 8.890 0.420 1.00 0.00 H new ATOM 0 HB ILE A 10 4.416 9.992 2.403 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.932 11.170 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.181 11.180 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.043 9.282 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.083 7.904 1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.702 8.648 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.103 13.207 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.244 12.196 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.022 12.186 2.213 1.00 0.00 H new ATOM 141 N CYS A 11 3.307 6.880 1.848 1.00 0.00 N ATOM 142 CA CYS A 11 3.446 5.667 2.702 1.00 0.00 C ATOM 143 C CYS A 11 4.765 4.969 2.379 1.00 0.00 C ATOM 144 O CYS A 11 5.400 5.239 1.381 1.00 0.00 O ATOM 145 CB CYS A 11 2.304 4.686 2.447 1.00 0.00 C ATOM 146 SG CYS A 11 0.722 5.562 2.459 1.00 0.00 S ATOM 0 H CYS A 11 3.656 6.784 0.894 1.00 0.00 H new ATOM 0 HA CYS A 11 3.421 5.980 3.746 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.447 4.190 1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.304 3.908 3.211 1.00 0.00 H new ATOM 151 N SER A 12 5.166 4.062 3.219 1.00 0.00 N ATOM 152 CA SER A 12 6.433 3.320 2.975 1.00 0.00 C ATOM 153 C SER A 12 6.101 1.853 2.696 1.00 0.00 C ATOM 154 O SER A 12 5.208 1.287 3.294 1.00 0.00 O ATOM 155 CB SER A 12 7.328 3.415 4.212 1.00 0.00 C ATOM 156 OG SER A 12 6.878 2.487 5.189 1.00 0.00 O ATOM 0 H SER A 12 4.669 3.800 4.070 1.00 0.00 H new ATOM 0 HA SER A 12 6.955 3.751 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.363 3.204 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.303 4.427 4.616 1.00 0.00 H new ATOM 0 HG SER A 12 7.450 2.544 5.982 1.00 0.00 H new ATOM 162 N LEU A 13 6.802 1.234 1.787 1.00 0.00 N ATOM 163 CA LEU A 13 6.509 -0.193 1.473 1.00 0.00 C ATOM 164 C LEU A 13 6.336 -0.968 2.772 1.00 0.00 C ATOM 165 O LEU A 13 5.535 -1.876 2.865 1.00 0.00 O ATOM 166 CB LEU A 13 7.653 -0.791 0.651 1.00 0.00 C ATOM 167 CG LEU A 13 8.851 -1.091 1.551 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.826 -2.562 1.962 1.00 0.00 C ATOM 169 CD2 LEU A 13 10.141 -0.806 0.789 1.00 0.00 C ATOM 0 H LEU A 13 7.562 1.652 1.250 1.00 0.00 H new ATOM 0 HA LEU A 13 5.590 -0.257 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.319 -1.706 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.946 -0.097 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 13 8.802 -0.462 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.681 -2.775 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.904 -2.773 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.875 -3.189 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.997 -1.019 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.186 -1.437 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.163 0.242 0.491 1.00 0.00 H new ATOM 181 N TYR A 14 7.060 -0.597 3.782 1.00 0.00 N ATOM 182 CA TYR A 14 6.913 -1.296 5.085 1.00 0.00 C ATOM 183 C TYR A 14 5.439 -1.237 5.463 1.00 0.00 C ATOM 184 O TYR A 14 4.854 -2.198 5.921 1.00 0.00 O ATOM 185 CB TYR A 14 7.747 -0.585 6.152 1.00 0.00 C ATOM 186 CG TYR A 14 8.393 -1.609 7.051 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.655 -2.126 6.728 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.730 -2.046 8.205 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.256 -3.079 7.563 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.331 -2.999 9.040 1.00 0.00 C ATOM 191 CZ TYR A 14 9.593 -3.515 8.718 1.00 0.00 C ATOM 192 OH TYR A 14 10.184 -4.454 9.540 1.00 0.00 O ATOM 0 H TYR A 14 7.746 0.158 3.765 1.00 0.00 H new ATOM 0 HA TYR A 14 7.256 -2.328 5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.511 0.033 5.680 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.115 0.082 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.164 -1.791 5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.756 -1.649 8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.229 -3.477 7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.821 -3.335 9.931 1.00 0.00 H new ATOM 0 HH TYR A 14 9.592 -4.645 10.297 1.00 0.00 H new ATOM 202 N GLN A 15 4.836 -0.105 5.241 1.00 0.00 N ATOM 203 CA GLN A 15 3.394 0.057 5.543 1.00 0.00 C ATOM 204 C GLN A 15 2.594 -0.681 4.474 1.00 0.00 C ATOM 205 O GLN A 15 1.476 -1.104 4.690 1.00 0.00 O ATOM 206 CB GLN A 15 3.049 1.545 5.506 1.00 0.00 C ATOM 207 CG GLN A 15 3.618 2.235 6.748 1.00 0.00 C ATOM 208 CD GLN A 15 3.088 3.667 6.826 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.303 4.456 5.927 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.398 4.038 7.870 1.00 0.00 N ATOM 0 H GLN A 15 5.289 0.724 4.858 1.00 0.00 H new ATOM 0 HA GLN A 15 3.158 -0.347 6.528 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.458 2.001 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.968 1.677 5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.336 1.683 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.707 2.241 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.218 3.375 8.624 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.039 4.991 7.932 1.00 0.00 H new ATOM 219 N LEU A 16 3.178 -0.846 3.322 1.00 0.00 N ATOM 220 CA LEU A 16 2.489 -1.561 2.221 1.00 0.00 C ATOM 221 C LEU A 16 2.522 -3.056 2.523 1.00 0.00 C ATOM 222 O LEU A 16 1.620 -3.792 2.177 1.00 0.00 O ATOM 223 CB LEU A 16 3.217 -1.273 0.901 1.00 0.00 C ATOM 224 CG LEU A 16 3.108 0.218 0.525 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.924 0.339 -0.987 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.910 0.877 1.222 1.00 0.00 C ATOM 0 H LEU A 16 4.115 -0.511 3.096 1.00 0.00 H new ATOM 0 HA LEU A 16 1.455 -1.227 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.266 -1.553 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.791 -1.885 0.106 1.00 0.00 H new ATOM 0 HG LEU A 16 4.020 0.722 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.846 1.391 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.780 -0.106 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.014 -0.182 -1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.857 1.928 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.991 0.374 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.029 0.798 2.303 1.00 0.00 H new ATOM 238 N GLU A 17 3.553 -3.507 3.183 1.00 0.00 N ATOM 239 CA GLU A 17 3.639 -4.949 3.527 1.00 0.00 C ATOM 240 C GLU A 17 2.563 -5.259 4.562 1.00 0.00 C ATOM 241 O GLU A 17 2.185 -6.396 4.765 1.00 0.00 O ATOM 242 CB GLU A 17 5.020 -5.257 4.108 1.00 0.00 C ATOM 243 CG GLU A 17 6.079 -5.096 3.015 1.00 0.00 C ATOM 244 CD GLU A 17 7.408 -5.673 3.503 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.739 -5.452 4.656 1.00 0.00 O ATOM 246 OE2 GLU A 17 8.073 -6.326 2.715 1.00 0.00 O ATOM 0 H GLU A 17 4.338 -2.937 3.498 1.00 0.00 H new ATOM 0 HA GLU A 17 3.489 -5.559 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.235 -4.586 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.042 -6.272 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.760 -5.607 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.199 -4.042 2.762 1.00 0.00 H new ATOM 253 N ASN A 18 2.056 -4.245 5.212 1.00 0.00 N ATOM 254 CA ASN A 18 0.991 -4.468 6.228 1.00 0.00 C ATOM 255 C ASN A 18 -0.339 -4.730 5.516 1.00 0.00 C ATOM 256 O ASN A 18 -1.344 -5.014 6.137 1.00 0.00 O ATOM 257 CB ASN A 18 0.861 -3.225 7.112 1.00 0.00 C ATOM 258 CG ASN A 18 1.598 -3.457 8.433 1.00 0.00 C ATOM 259 OD1 ASN A 18 2.681 -2.947 8.635 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.051 -4.210 9.348 1.00 0.00 N ATOM 0 H ASN A 18 2.335 -3.272 5.082 1.00 0.00 H new ATOM 0 HA ASN A 18 1.250 -5.327 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.276 -2.357 6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.190 -3.010 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.533 -4.370 10.232 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.141 -4.639 9.179 1.00 0.00 H new ATOM 267 N TYR A 19 -0.352 -4.633 4.212 1.00 0.00 N ATOM 268 CA TYR A 19 -1.612 -4.873 3.453 1.00 0.00 C ATOM 269 C TYR A 19 -1.554 -6.253 2.790 1.00 0.00 C ATOM 270 O TYR A 19 -2.471 -6.660 2.103 1.00 0.00 O ATOM 271 CB TYR A 19 -1.758 -3.802 2.371 1.00 0.00 C ATOM 272 CG TYR A 19 -1.943 -2.451 3.016 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.824 -1.685 3.366 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.232 -1.960 3.256 1.00 0.00 C ATOM 275 CE1 TYR A 19 -0.994 -0.427 3.958 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.403 -0.701 3.849 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.284 0.065 4.200 1.00 0.00 C ATOM 278 OH TYR A 19 -2.452 1.304 4.781 1.00 0.00 O ATOM 0 H TYR A 19 0.459 -4.397 3.640 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.462 -4.830 4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.875 -3.793 1.733 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.611 -4.031 1.732 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.170 -2.064 3.179 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.094 -2.551 2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.131 0.164 4.228 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.397 -0.322 4.035 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.409 1.493 4.877 1.00 0.00 H new ATOM 288 N CYS A 20 -0.483 -6.970 2.983 1.00 0.00 N ATOM 289 CA CYS A 20 -0.360 -8.318 2.359 1.00 0.00 C ATOM 290 C CYS A 20 -1.537 -9.196 2.784 1.00 0.00 C ATOM 291 O CYS A 20 -2.133 -8.994 3.823 1.00 0.00 O ATOM 292 CB CYS A 20 0.950 -8.965 2.807 1.00 0.00 C ATOM 293 SG CYS A 20 2.332 -7.894 2.343 1.00 0.00 S ATOM 0 H CYS A 20 0.315 -6.680 3.548 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.365 -8.216 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.942 -9.121 3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.062 -9.945 2.344 1.00 0.00 H new ATOM 298 N ASN A 21 -1.874 -10.173 1.987 1.00 0.00 N ATOM 299 CA ASN A 21 -3.010 -11.067 2.342 1.00 0.00 C ATOM 300 C ASN A 21 -4.177 -10.225 2.864 1.00 0.00 C ATOM 301 O ASN A 21 -4.293 -9.086 2.446 1.00 0.00 O ATOM 302 CB ASN A 21 -2.567 -12.053 3.426 1.00 0.00 C ATOM 303 CG ASN A 21 -1.080 -12.364 3.263 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.269 -11.952 4.068 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.686 -13.079 2.248 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.933 -10.735 3.675 1.00 0.00 O ATOM 0 H ASN A 21 -1.411 -10.390 1.105 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.327 -11.620 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.754 -11.631 4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.150 -12.971 3.356 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.304 -13.293 2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.368 -13.425 1.572 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.943 1.541 -0.781 1.00 0.00 N ATOM 315 CA PHE B 1 12.632 2.184 -1.079 1.00 0.00 C ATOM 316 C PHE B 1 12.489 3.456 -0.245 1.00 0.00 C ATOM 317 O PHE B 1 13.340 3.790 0.554 1.00 0.00 O ATOM 318 CB PHE B 1 11.500 1.228 -0.716 1.00 0.00 C ATOM 319 CG PHE B 1 10.920 0.614 -1.970 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.641 -0.360 -2.675 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.657 1.016 -2.427 1.00 0.00 C ATOM 322 CE1 PHE B 1 11.100 -0.929 -3.837 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.117 0.447 -3.588 1.00 0.00 C ATOM 324 CZ PHE B 1 9.838 -0.526 -4.293 1.00 0.00 C ATOM 0 H1 PHE B 1 13.839 0.507 -0.820 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.647 1.846 -1.484 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.259 1.821 0.169 1.00 0.00 H new ATOM 0 HA PHE B 1 12.584 2.427 -2.140 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.872 0.444 -0.056 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.723 1.762 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.613 -0.672 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.100 1.765 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.656 -1.678 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.145 0.759 -3.940 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.421 -0.965 -5.187 1.00 0.00 H new ATOM 336 N VAL B 2 11.412 4.167 -0.428 1.00 0.00 N ATOM 337 CA VAL B 2 11.197 5.414 0.341 1.00 0.00 C ATOM 338 C VAL B 2 9.708 5.760 0.287 1.00 0.00 C ATOM 339 O VAL B 2 8.952 5.175 -0.462 1.00 0.00 O ATOM 340 CB VAL B 2 12.041 6.535 -0.282 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.174 6.301 -1.788 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.385 7.896 -0.050 1.00 0.00 C ATOM 0 H VAL B 2 10.668 3.932 -1.084 1.00 0.00 H new ATOM 0 HA VAL B 2 11.499 5.290 1.381 1.00 0.00 H new ATOM 0 HB VAL B 2 13.024 6.527 0.188 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.773 7.098 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.659 5.341 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.184 6.297 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.999 8.677 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.395 7.905 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.293 8.078 1.021 1.00 0.00 H new ATOM 352 N ASN B 3 9.283 6.714 1.061 1.00 0.00 N ATOM 353 CA ASN B 3 7.841 7.094 1.027 1.00 0.00 C ATOM 354 C ASN B 3 7.493 7.498 -0.408 1.00 0.00 C ATOM 355 O ASN B 3 8.293 8.093 -1.104 1.00 0.00 O ATOM 356 CB ASN B 3 7.560 8.264 1.990 1.00 0.00 C ATOM 357 CG ASN B 3 8.562 8.246 3.147 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.481 9.039 3.181 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.422 7.367 4.102 1.00 0.00 N ATOM 0 H ASN B 3 9.862 7.245 1.711 1.00 0.00 H new ATOM 0 HA ASN B 3 7.229 6.250 1.345 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.629 9.211 1.454 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.544 8.190 2.378 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.085 7.346 4.877 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.650 6.701 4.073 1.00 0.00 H new ATOM 366 N GLN B 4 6.314 7.175 -0.866 1.00 0.00 N ATOM 367 CA GLN B 4 5.937 7.537 -2.262 1.00 0.00 C ATOM 368 C GLN B 4 4.428 7.755 -2.352 1.00 0.00 C ATOM 369 O GLN B 4 3.647 7.003 -1.797 1.00 0.00 O ATOM 370 CB GLN B 4 6.336 6.401 -3.207 1.00 0.00 C ATOM 371 CG GLN B 4 6.909 6.986 -4.500 1.00 0.00 C ATOM 372 CD GLN B 4 7.516 5.863 -5.344 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.005 5.535 -6.397 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.592 5.256 -4.924 1.00 0.00 N ATOM 0 H GLN B 4 5.598 6.678 -0.336 1.00 0.00 H new ATOM 0 HA GLN B 4 6.454 8.454 -2.545 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.075 5.759 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.469 5.779 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.124 7.493 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.669 7.732 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.021 5.531 -4.040 1.00 0.00 H new ATOM 0 HE22 GLN B 4 9.004 4.506 -5.479 1.00 0.00 H new ATOM 383 N HIS B 5 4.008 8.777 -3.044 1.00 0.00 N ATOM 384 CA HIS B 5 2.550 9.037 -3.171 1.00 0.00 C ATOM 385 C HIS B 5 1.941 7.973 -4.083 1.00 0.00 C ATOM 386 O HIS B 5 2.401 7.751 -5.185 1.00 0.00 O ATOM 387 CB HIS B 5 2.328 10.423 -3.771 1.00 0.00 C ATOM 388 CG HIS B 5 2.698 11.475 -2.762 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.735 12.163 -2.054 1.00 0.00 N ATOM 390 CD2 HIS B 5 3.918 11.943 -2.355 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.385 13.017 -1.251 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.723 12.918 -1.399 1.00 0.00 N ATOM 0 H HIS B 5 4.612 9.442 -3.526 1.00 0.00 H new ATOM 0 HA HIS B 5 2.076 8.997 -2.190 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.930 10.541 -4.672 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.285 10.539 -4.067 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.725 12.045 -2.127 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.876 11.605 -2.722 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.899 13.700 -0.570 1.00 0.00 H new ATOM 400 N LEU B 6 0.927 7.303 -3.624 1.00 0.00 N ATOM 401 CA LEU B 6 0.300 6.233 -4.449 1.00 0.00 C ATOM 402 C LEU B 6 -1.218 6.409 -4.466 1.00 0.00 C ATOM 403 O LEU B 6 -1.759 7.203 -3.734 1.00 0.00 O ATOM 404 CB LEU B 6 0.639 4.888 -3.826 1.00 0.00 C ATOM 405 CG LEU B 6 1.769 4.209 -4.596 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.833 5.221 -5.008 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.400 3.161 -3.693 1.00 0.00 C ATOM 0 H LEU B 6 0.501 7.449 -2.709 1.00 0.00 H new ATOM 0 HA LEU B 6 0.675 6.288 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.933 5.027 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.244 4.248 -3.826 1.00 0.00 H new ATOM 0 HG LEU B 6 1.363 3.752 -5.499 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.627 4.712 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.384 5.982 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.250 5.693 -4.118 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.211 2.663 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.794 3.642 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.648 2.426 -3.408 1.00 0.00 H new ATOM 419 N CYS B 7 -1.914 5.669 -5.289 1.00 0.00 N ATOM 420 CA CYS B 7 -3.403 5.821 -5.328 1.00 0.00 C ATOM 421 C CYS B 7 -4.084 4.527 -5.790 1.00 0.00 C ATOM 422 O CYS B 7 -4.689 3.820 -5.011 1.00 0.00 O ATOM 423 CB CYS B 7 -3.786 6.955 -6.288 1.00 0.00 C ATOM 424 SG CYS B 7 -2.859 8.456 -5.880 1.00 0.00 S ATOM 0 H CYS B 7 -1.525 4.975 -5.928 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.740 6.052 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.578 6.658 -7.316 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.856 7.151 -6.224 1.00 0.00 H new ATOM 429 N GLY B 8 -4.026 4.234 -7.056 1.00 0.00 N ATOM 430 CA GLY B 8 -4.708 3.006 -7.567 1.00 0.00 C ATOM 431 C GLY B 8 -3.693 1.968 -8.058 1.00 0.00 C ATOM 432 O GLY B 8 -3.102 1.247 -7.279 1.00 0.00 O ATOM 0 H GLY B 8 -3.539 4.787 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.321 2.573 -6.777 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.381 3.274 -8.382 1.00 0.00 H new ATOM 436 N SER B 9 -3.497 1.876 -9.349 1.00 0.00 N ATOM 437 CA SER B 9 -2.535 0.874 -9.891 1.00 0.00 C ATOM 438 C SER B 9 -1.264 0.925 -9.066 1.00 0.00 C ATOM 439 O SER B 9 -0.835 -0.048 -8.487 1.00 0.00 O ATOM 440 CB SER B 9 -2.213 1.206 -11.349 1.00 0.00 C ATOM 441 OG SER B 9 -1.736 2.543 -11.431 1.00 0.00 O ATOM 0 H SER B 9 -3.963 2.453 -10.050 1.00 0.00 H new ATOM 0 HA SER B 9 -2.971 -0.124 -9.842 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.463 0.516 -11.734 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.103 1.087 -11.967 1.00 0.00 H new ATOM 0 HG SER B 9 -1.527 2.759 -12.364 1.00 0.00 H new ATOM 447 N HIS B 10 -0.671 2.070 -9.007 1.00 0.00 N ATOM 448 CA HIS B 10 0.583 2.228 -8.214 1.00 0.00 C ATOM 449 C HIS B 10 0.354 1.846 -6.740 1.00 0.00 C ATOM 450 O HIS B 10 1.288 1.784 -5.969 1.00 0.00 O ATOM 451 CB HIS B 10 1.096 3.676 -8.284 1.00 0.00 C ATOM 452 CG HIS B 10 -0.006 4.629 -8.665 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.315 4.702 -8.276 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.215 5.651 -9.564 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.912 5.762 -8.928 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.945 6.305 -9.696 1.00 0.00 N flip ATOM 0 H HIS B 10 -0.996 2.916 -9.475 1.00 0.00 H new ATOM 0 HA HIS B 10 1.328 1.560 -8.646 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.511 3.964 -7.318 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.905 3.743 -9.011 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.144 5.879 -10.065 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.938 6.088 -8.841 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -1.081 7.114 -10.302 1.00 0.00 H new ATOM 464 N LEU B 11 -0.856 1.547 -6.340 1.00 0.00 N ATOM 465 CA LEU B 11 -1.088 1.144 -4.927 1.00 0.00 C ATOM 466 C LEU B 11 -1.142 -0.356 -4.919 1.00 0.00 C ATOM 467 O LEU B 11 -0.457 -1.030 -4.175 1.00 0.00 O ATOM 468 CB LEU B 11 -2.424 1.694 -4.417 1.00 0.00 C ATOM 469 CG LEU B 11 -2.189 2.922 -3.540 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.482 3.283 -2.825 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.124 2.610 -2.489 1.00 0.00 C ATOM 0 H LEU B 11 -1.688 1.565 -6.930 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.298 1.532 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.063 1.957 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.948 0.926 -3.848 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.859 3.750 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.318 4.159 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.256 3.503 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.800 2.446 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.960 3.489 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.459 1.781 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.192 2.337 -2.985 1.00 0.00 H new ATOM 483 N VAL B 12 -1.929 -0.874 -5.794 1.00 0.00 N ATOM 484 CA VAL B 12 -2.025 -2.329 -5.921 1.00 0.00 C ATOM 485 C VAL B 12 -0.692 -2.794 -6.468 1.00 0.00 C ATOM 486 O VAL B 12 -0.230 -3.888 -6.209 1.00 0.00 O ATOM 487 CB VAL B 12 -3.147 -2.664 -6.902 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.345 -1.750 -6.637 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.654 -2.453 -8.338 1.00 0.00 C ATOM 0 H VAL B 12 -2.518 -0.342 -6.435 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.244 -2.814 -4.970 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.445 -3.704 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.146 -1.988 -7.337 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.698 -1.899 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.046 -0.710 -6.769 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.456 -2.692 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.355 -1.413 -8.471 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.800 -3.103 -8.529 1.00 0.00 H new ATOM 499 N GLU B 13 -0.068 -1.936 -7.222 1.00 0.00 N ATOM 500 CA GLU B 13 1.242 -2.273 -7.794 1.00 0.00 C ATOM 501 C GLU B 13 2.262 -2.182 -6.666 1.00 0.00 C ATOM 502 O GLU B 13 3.058 -3.074 -6.451 1.00 0.00 O ATOM 503 CB GLU B 13 1.597 -1.289 -8.909 1.00 0.00 C ATOM 504 CG GLU B 13 0.782 -1.624 -10.161 1.00 0.00 C ATOM 505 CD GLU B 13 1.668 -1.487 -11.401 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.565 -2.299 -11.555 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.435 -0.572 -12.172 1.00 0.00 O ATOM 0 H GLU B 13 -0.421 -1.010 -7.463 1.00 0.00 H new ATOM 0 HA GLU B 13 1.232 -3.275 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.389 -0.268 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.663 -1.342 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.390 -2.639 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.076 -0.956 -10.239 1.00 0.00 H new ATOM 514 N ALA B 14 2.212 -1.110 -5.919 1.00 0.00 N ATOM 515 CA ALA B 14 3.138 -0.957 -4.777 1.00 0.00 C ATOM 516 C ALA B 14 2.933 -2.138 -3.836 1.00 0.00 C ATOM 517 O ALA B 14 3.871 -2.793 -3.428 1.00 0.00 O ATOM 518 CB ALA B 14 2.803 0.341 -4.053 1.00 0.00 C ATOM 0 H ALA B 14 1.564 -0.335 -6.058 1.00 0.00 H new ATOM 0 HA ALA B 14 4.174 -0.929 -5.115 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.477 0.470 -3.206 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.917 1.180 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.774 0.303 -3.695 1.00 0.00 H new ATOM 524 N LEU B 15 1.704 -2.423 -3.499 1.00 0.00 N ATOM 525 CA LEU B 15 1.433 -3.572 -2.595 1.00 0.00 C ATOM 526 C LEU B 15 1.875 -4.851 -3.293 1.00 0.00 C ATOM 527 O LEU B 15 2.572 -5.675 -2.737 1.00 0.00 O ATOM 528 CB LEU B 15 -0.067 -3.658 -2.284 1.00 0.00 C ATOM 529 CG LEU B 15 -0.555 -2.448 -1.460 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.455 -2.950 -0.335 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.610 -1.679 -0.830 1.00 0.00 C ATOM 0 H LEU B 15 0.879 -1.910 -3.811 1.00 0.00 H new ATOM 0 HA LEU B 15 1.979 -3.439 -1.661 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.628 -3.712 -3.217 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.272 -4.577 -1.735 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.089 -1.778 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.806 -2.104 0.255 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.310 -3.476 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.893 -3.630 0.305 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.223 -0.835 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.167 -2.341 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.271 -1.313 -1.615 1.00 0.00 H new ATOM 543 N TYR B 16 1.475 -5.020 -4.515 1.00 0.00 N ATOM 544 CA TYR B 16 1.876 -6.243 -5.260 1.00 0.00 C ATOM 545 C TYR B 16 3.402 -6.329 -5.302 1.00 0.00 C ATOM 546 O TYR B 16 3.970 -7.382 -5.514 1.00 0.00 O ATOM 547 CB TYR B 16 1.331 -6.179 -6.691 1.00 0.00 C ATOM 548 CG TYR B 16 1.988 -7.252 -7.522 1.00 0.00 C ATOM 549 CD1 TYR B 16 2.033 -8.571 -7.051 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.556 -6.931 -8.761 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.647 -9.569 -7.818 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.170 -7.928 -9.530 1.00 0.00 C ATOM 553 CZ TYR B 16 3.216 -9.247 -9.058 1.00 0.00 C ATOM 554 OH TYR B 16 3.820 -10.230 -9.815 1.00 0.00 O ATOM 0 H TYR B 16 0.888 -4.366 -5.033 1.00 0.00 H new ATOM 0 HA TYR B 16 1.470 -7.122 -4.759 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.250 -6.317 -6.687 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.526 -5.198 -7.123 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.594 -8.818 -6.096 1.00 0.00 H new ATOM 0 HD2 TYR B 16 2.521 -5.914 -9.124 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.682 -10.585 -7.455 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.608 -7.681 -10.486 1.00 0.00 H new ATOM 0 HH TYR B 16 4.162 -9.839 -10.646 1.00 0.00 H new ATOM 564 N LEU B 17 4.067 -5.228 -5.102 1.00 0.00 N ATOM 565 CA LEU B 17 5.556 -5.243 -5.131 1.00 0.00 C ATOM 566 C LEU B 17 6.089 -5.402 -3.709 1.00 0.00 C ATOM 567 O LEU B 17 7.179 -5.893 -3.496 1.00 0.00 O ATOM 568 CB LEU B 17 6.068 -3.933 -5.736 1.00 0.00 C ATOM 569 CG LEU B 17 7.258 -4.213 -6.658 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.893 -5.308 -7.661 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.617 -2.937 -7.422 1.00 0.00 C ATOM 0 H LEU B 17 3.645 -4.318 -4.920 1.00 0.00 H new ATOM 0 HA LEU B 17 5.903 -6.078 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.270 -3.445 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.366 -3.248 -4.942 1.00 0.00 H new ATOM 0 HG LEU B 17 8.107 -4.540 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.744 -5.502 -8.314 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.632 -6.220 -7.125 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.043 -4.983 -8.261 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.464 -3.133 -8.080 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.762 -2.617 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.881 -2.151 -6.714 1.00 0.00 H new ATOM 583 N VAL B 18 5.327 -5.000 -2.730 1.00 0.00 N ATOM 584 CA VAL B 18 5.794 -5.143 -1.326 1.00 0.00 C ATOM 585 C VAL B 18 5.413 -6.533 -0.820 1.00 0.00 C ATOM 586 O VAL B 18 6.154 -7.170 -0.097 1.00 0.00 O ATOM 587 CB VAL B 18 5.144 -4.067 -0.450 1.00 0.00 C ATOM 588 CG1 VAL B 18 5.133 -2.735 -1.201 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.707 -4.468 -0.109 1.00 0.00 C ATOM 0 H VAL B 18 4.404 -4.580 -2.842 1.00 0.00 H new ATOM 0 HA VAL B 18 6.876 -5.021 -1.281 1.00 0.00 H new ATOM 0 HB VAL B 18 5.717 -3.965 0.472 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.671 -1.970 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.156 -2.442 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.565 -2.843 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.252 -3.698 0.514 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.132 -4.577 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.712 -5.415 0.431 1.00 0.00 H new ATOM 599 N CYS B 19 4.262 -7.003 -1.200 1.00 0.00 N ATOM 600 CA CYS B 19 3.822 -8.352 -0.750 1.00 0.00 C ATOM 601 C CYS B 19 4.278 -9.401 -1.766 1.00 0.00 C ATOM 602 O CYS B 19 4.269 -10.586 -1.497 1.00 0.00 O ATOM 603 CB CYS B 19 2.298 -8.374 -0.637 1.00 0.00 C ATOM 604 SG CYS B 19 1.774 -7.124 0.561 1.00 0.00 S ATOM 0 H CYS B 19 3.604 -6.511 -1.804 1.00 0.00 H new ATOM 0 HA CYS B 19 4.261 -8.577 0.222 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.846 -8.176 -1.609 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.959 -9.361 -0.323 1.00 0.00 H new ATOM 609 N GLY B 20 4.681 -8.974 -2.930 1.00 0.00 N ATOM 610 CA GLY B 20 5.142 -9.943 -3.964 1.00 0.00 C ATOM 611 C GLY B 20 4.035 -10.961 -4.245 1.00 0.00 C ATOM 612 O GLY B 20 2.885 -10.610 -4.419 1.00 0.00 O ATOM 0 H GLY B 20 4.711 -7.994 -3.211 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.405 -9.414 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.042 -10.454 -3.622 1.00 0.00 H new ATOM 616 N GLU B 21 4.374 -12.221 -4.293 1.00 0.00 N ATOM 617 CA GLU B 21 3.343 -13.260 -4.567 1.00 0.00 C ATOM 618 C GLU B 21 2.298 -13.247 -3.452 1.00 0.00 C ATOM 619 O GLU B 21 1.131 -13.504 -3.678 1.00 0.00 O ATOM 620 CB GLU B 21 4.007 -14.638 -4.629 1.00 0.00 C ATOM 621 CG GLU B 21 4.581 -14.991 -3.255 1.00 0.00 C ATOM 622 CD GLU B 21 5.490 -16.214 -3.382 1.00 0.00 C ATOM 623 OE1 GLU B 21 6.282 -16.246 -4.310 1.00 0.00 O ATOM 624 OE2 GLU B 21 5.380 -17.098 -2.549 1.00 0.00 O ATOM 0 H GLU B 21 5.321 -12.575 -4.154 1.00 0.00 H new ATOM 0 HA GLU B 21 2.860 -13.048 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.280 -15.390 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.800 -14.638 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.143 -14.147 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.773 -15.196 -2.553 1.00 0.00 H new ATOM 631 N ARG B 22 2.703 -12.946 -2.251 1.00 0.00 N ATOM 632 CA ARG B 22 1.729 -12.913 -1.125 1.00 0.00 C ATOM 633 C ARG B 22 0.529 -12.057 -1.524 1.00 0.00 C ATOM 634 O ARG B 22 -0.561 -12.214 -1.011 1.00 0.00 O ATOM 635 CB ARG B 22 2.398 -12.311 0.114 1.00 0.00 C ATOM 636 CG ARG B 22 3.633 -13.137 0.478 1.00 0.00 C ATOM 637 CD ARG B 22 4.569 -12.296 1.350 1.00 0.00 C ATOM 638 NE ARG B 22 3.859 -11.897 2.597 1.00 0.00 N ATOM 639 CZ ARG B 22 4.540 -11.511 3.641 1.00 0.00 C ATOM 640 NH1 ARG B 22 5.369 -12.335 4.221 1.00 0.00 N ATOM 641 NH2 ARG B 22 4.393 -10.300 4.103 1.00 0.00 N ATOM 0 H ARG B 22 3.666 -12.721 -2.000 1.00 0.00 H new ATOM 0 HA ARG B 22 1.397 -13.926 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG B 22 2.683 -11.277 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.697 -12.298 0.949 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.336 -14.040 1.011 1.00 0.00 H new ATOM 0 HG3 ARG B 22 4.150 -13.456 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.465 -12.866 1.595 1.00 0.00 H new ATOM 0 HD3 ARG B 22 4.894 -11.410 0.804 1.00 0.00 H new ATOM 0 HE ARG B 22 2.840 -11.925 2.635 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.485 -13.281 3.858 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.901 -12.033 5.037 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.746 -9.656 3.648 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.925 -9.997 4.919 1.00 0.00 H new ATOM 655 N GLY B 23 0.727 -11.154 -2.438 1.00 0.00 N ATOM 656 CA GLY B 23 -0.393 -10.279 -2.883 1.00 0.00 C ATOM 657 C GLY B 23 -0.924 -9.484 -1.690 1.00 0.00 C ATOM 658 O GLY B 23 -0.287 -9.394 -0.658 1.00 0.00 O ATOM 0 H GLY B 23 1.620 -10.982 -2.900 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.050 -9.599 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.191 -10.883 -3.315 1.00 0.00 H new ATOM 662 N PHE B 24 -2.081 -8.898 -1.823 1.00 0.00 N ATOM 663 CA PHE B 24 -2.646 -8.101 -0.698 1.00 0.00 C ATOM 664 C PHE B 24 -4.160 -7.973 -0.872 1.00 0.00 C ATOM 665 O PHE B 24 -4.750 -8.594 -1.734 1.00 0.00 O ATOM 666 CB PHE B 24 -2.020 -6.704 -0.707 1.00 0.00 C ATOM 667 CG PHE B 24 -2.098 -6.135 -2.103 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.327 -6.694 -3.131 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.945 -5.052 -2.375 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.400 -6.173 -4.427 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.017 -4.528 -3.674 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.245 -5.090 -4.701 1.00 0.00 C ATOM 0 H PHE B 24 -2.660 -8.936 -2.662 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.428 -8.599 0.247 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.543 -6.053 -0.006 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.982 -6.755 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.675 -7.529 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.542 -4.621 -1.585 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.804 -6.606 -5.217 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.667 -3.691 -3.883 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.302 -4.688 -5.702 1.00 0.00 H new ATOM 682 N PHE B 25 -4.791 -7.169 -0.062 1.00 0.00 N ATOM 683 CA PHE B 25 -6.264 -6.995 -0.186 1.00 0.00 C ATOM 684 C PHE B 25 -6.562 -5.591 -0.705 1.00 0.00 C ATOM 685 O PHE B 25 -7.446 -5.387 -1.512 1.00 0.00 O ATOM 686 CB PHE B 25 -6.922 -7.189 1.182 1.00 0.00 C ATOM 687 CG PHE B 25 -8.424 -7.192 1.022 1.00 0.00 C ATOM 688 CD1 PHE B 25 -9.101 -5.996 0.750 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.139 -8.390 1.146 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.494 -5.998 0.603 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.533 -8.393 0.999 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.210 -7.196 0.727 1.00 0.00 C ATOM 0 H PHE B 25 -4.350 -6.625 0.680 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.662 -7.734 -0.882 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.591 -8.127 1.627 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.619 -6.391 1.860 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.549 -5.073 0.654 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.616 -9.312 1.355 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.016 -5.076 0.394 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.085 -9.316 1.095 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.284 -7.197 0.613 1.00 0.00 H new ATOM 702 N TYR B 26 -5.819 -4.625 -0.251 1.00 0.00 N ATOM 703 CA TYR B 26 -6.043 -3.225 -0.714 1.00 0.00 C ATOM 704 C TYR B 26 -7.484 -2.810 -0.412 1.00 0.00 C ATOM 705 O TYR B 26 -8.425 -3.350 -0.959 1.00 0.00 O ATOM 706 CB TYR B 26 -5.790 -3.149 -2.220 1.00 0.00 C ATOM 707 CG TYR B 26 -5.869 -1.713 -2.679 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.302 -0.694 -1.901 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.511 -1.402 -3.884 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.381 0.639 -2.332 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.589 -0.072 -4.313 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.025 0.949 -3.538 1.00 0.00 C ATOM 713 OH TYR B 26 -6.105 2.260 -3.962 1.00 0.00 O ATOM 0 H TYR B 26 -5.063 -4.742 0.423 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.361 -2.552 -0.194 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.809 -3.562 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.526 -3.752 -2.753 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.806 -0.934 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.946 -2.189 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.946 1.426 -1.735 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.085 0.167 -5.242 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.385 2.441 -4.602 1.00 0.00 H new ATOM 723 N THR B 27 -7.667 -1.855 0.458 1.00 0.00 N ATOM 724 CA THR B 27 -9.047 -1.410 0.797 1.00 0.00 C ATOM 725 C THR B 27 -9.500 -0.342 -0.198 1.00 0.00 C ATOM 726 O THR B 27 -8.701 0.264 -0.883 1.00 0.00 O ATOM 727 CB THR B 27 -9.060 -0.830 2.213 1.00 0.00 C ATOM 728 OG1 THR B 27 -8.176 0.280 2.277 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.612 -1.901 3.208 1.00 0.00 C ATOM 0 H THR B 27 -6.920 -1.364 0.949 1.00 0.00 H new ATOM 0 HA THR B 27 -9.726 -2.261 0.746 1.00 0.00 H new ATOM 0 HB THR B 27 -10.070 -0.504 2.464 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.185 0.653 3.183 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.621 -1.487 4.216 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.292 -2.751 3.158 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.603 -2.229 2.960 1.00 0.00 H new ATOM 737 N LYS B 28 -10.781 -0.104 -0.282 1.00 0.00 N ATOM 738 CA LYS B 28 -11.291 0.925 -1.231 1.00 0.00 C ATOM 739 C LYS B 28 -12.308 1.817 -0.513 1.00 0.00 C ATOM 740 O LYS B 28 -13.011 1.366 0.369 1.00 0.00 O ATOM 741 CB LYS B 28 -11.964 0.234 -2.419 1.00 0.00 C ATOM 742 CG LYS B 28 -11.568 0.942 -3.716 1.00 0.00 C ATOM 743 CD LYS B 28 -11.375 -0.091 -4.827 1.00 0.00 C ATOM 744 CE LYS B 28 -10.449 0.481 -5.903 1.00 0.00 C ATOM 745 NZ LYS B 28 -11.099 1.659 -6.541 1.00 0.00 N ATOM 0 H LYS B 28 -11.497 -0.579 0.267 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.462 1.535 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.667 -0.814 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.047 0.254 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.339 1.658 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.648 1.507 -3.567 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.950 -1.007 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.338 -0.355 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.496 0.773 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.232 -0.279 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.583 1.913 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.084 1.425 -6.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.085 2.463 -5.881 1.00 0.00 H new ATOM 759 N PRO B 29 -12.355 3.062 -0.915 1.00 0.00 N ATOM 760 CA PRO B 29 -13.276 4.051 -0.329 1.00 0.00 C ATOM 761 C PRO B 29 -14.690 3.860 -0.885 1.00 0.00 C ATOM 762 O PRO B 29 -15.051 4.429 -1.896 1.00 0.00 O ATOM 763 CB PRO B 29 -12.689 5.394 -0.773 1.00 0.00 C ATOM 764 CG PRO B 29 -11.828 5.102 -2.026 1.00 0.00 C ATOM 765 CD PRO B 29 -11.496 3.598 -1.991 1.00 0.00 C ATOM 0 HA PRO B 29 -13.364 3.968 0.754 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.481 6.107 -1.003 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.084 5.835 0.020 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.370 5.358 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.917 5.700 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.711 3.120 -2.947 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.440 3.428 -1.780 1.00 0.00 H new ATOM 773 N THR B 30 -15.491 3.064 -0.233 1.00 0.00 N ATOM 774 CA THR B 30 -16.880 2.839 -0.726 1.00 0.00 C ATOM 775 C THR B 30 -17.828 2.706 0.467 1.00 0.00 C ATOM 776 O THR B 30 -17.340 2.534 1.571 1.00 0.00 O ATOM 777 CB THR B 30 -16.922 1.555 -1.559 1.00 0.00 C ATOM 778 OG1 THR B 30 -16.464 0.466 -0.771 1.00 0.00 O ATOM 779 CG2 THR B 30 -16.026 1.713 -2.787 1.00 0.00 C ATOM 780 OXT THR B 30 -19.028 2.779 0.256 1.00 0.00 O ATOM 0 H THR B 30 -15.245 2.560 0.619 1.00 0.00 H new ATOM 0 HA THR B 30 -17.190 3.683 -1.343 1.00 0.00 H new ATOM 0 HB THR B 30 -17.945 1.364 -1.882 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.492 -0.357 -1.302 1.00 0.00 H new ATOM 0 HG21 THR B 30 -16.056 0.799 -3.380 1.00 0.00 H new ATOM 0 HG22 THR B 30 -16.380 2.549 -3.391 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.002 1.905 -2.468 1.00 0.00 H new TER 788 THR B 30