USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 24 DHI H2 : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD NoAdj-H: B 24 DHI H : B 24 DHI N : B 23 GLY C :(H bumps) USER MOD Set 1.1: A 15 GLN : amide:sc= -0.0263 X(o=0.02,f=-0.33) USER MOD Set 1.2: A 19 TYR OH : rot -168:sc= 0.0459 USER MOD Set 2.1: A 1 GLY N :NH3+ -162:sc= 0.777 (180deg=0) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.69 K(o=1.5,f=-4.7!) 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 12 SER OG : rot -170:sc= 0.248 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0019) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 1 PHE N :NH3+ -101:sc= 0.0138 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.377 K(o=0.38,f=-0.14) USER MOD Single : B 4 GLN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.0021 X(o=-0.0021,f=-0.046) USER MOD Single : B 9 SER OG : rot -35:sc= 0.928 USER MOD Single : B 10 HIS : no HD1:sc=-0.00318 X(o=-0.0032,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 174:sc= 0.498 (180deg=0.471) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.389 -2.361 -0.115 1.00 0.00 N ATOM 2 CA GLY A 1 0.259 -2.353 -1.069 1.00 0.00 C ATOM 3 C GLY A 1 0.169 -1.026 -1.802 1.00 0.00 C ATOM 4 O GLY A 1 0.354 0.029 -1.197 1.00 0.00 O ATOM 0 H1 GLY A 1 1.620 -3.342 0.142 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.218 -1.914 -0.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.125 -1.832 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.382 -3.162 -1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.673 -2.541 -0.535 1.00 0.00 H new ATOM 10 N ILE A 2 -0.127 -1.074 -3.106 1.00 0.00 N ATOM 11 CA ILE A 2 -0.027 0.046 -4.064 1.00 0.00 C ATOM 12 C ILE A 2 -0.617 1.382 -3.577 1.00 0.00 C ATOM 13 O ILE A 2 0.082 2.395 -3.592 1.00 0.00 O ATOM 14 CB ILE A 2 -0.586 -0.387 -5.447 1.00 0.00 C ATOM 15 CG1 ILE A 2 -0.627 0.810 -6.418 1.00 0.00 C ATOM 16 CG2 ILE A 2 -1.970 -1.068 -5.398 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.927 0.458 -7.875 1.00 0.00 C ATOM 0 H ILE A 2 -0.458 -1.932 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 2 1.036 0.268 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 2 0.110 -1.145 -5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.382 1.515 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.333 1.324 -6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.280 -1.335 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.911 -1.968 -4.786 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.698 -0.382 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.934 1.368 -8.475 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.160 -0.219 -8.251 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.902 -0.026 -7.939 1.00 0.00 H new ATOM 29 N VAL A 3 -1.875 1.411 -3.126 1.00 0.00 N ATOM 30 CA VAL A 3 -2.560 2.663 -2.741 1.00 0.00 C ATOM 31 C VAL A 3 -2.010 3.262 -1.440 1.00 0.00 C ATOM 32 O VAL A 3 -1.795 4.469 -1.347 1.00 0.00 O ATOM 33 CB VAL A 3 -4.091 2.466 -2.712 1.00 0.00 C ATOM 34 CG1 VAL A 3 -4.567 1.328 -1.798 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.809 3.749 -2.285 1.00 0.00 C ATOM 0 H VAL A 3 -2.450 0.576 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.345 3.404 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.346 2.197 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.654 1.260 -1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.132 0.386 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.253 1.529 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.885 3.577 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.478 4.036 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.576 4.548 -2.989 1.00 0.00 H new ATOM 45 N GLU A 4 -1.701 2.426 -0.451 1.00 0.00 N ATOM 46 CA GLU A 4 -1.089 2.848 0.822 1.00 0.00 C ATOM 47 C GLU A 4 0.418 3.152 0.715 1.00 0.00 C ATOM 48 O GLU A 4 1.006 3.683 1.658 1.00 0.00 O ATOM 49 CB GLU A 4 -1.383 1.816 1.920 1.00 0.00 C ATOM 50 CG GLU A 4 -2.877 1.785 2.262 1.00 0.00 C ATOM 51 CD GLU A 4 -3.157 0.852 3.455 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.310 -0.377 3.248 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.232 1.338 4.610 1.00 0.00 O1- ATOM 0 H GLU A 4 -1.868 1.421 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.552 3.797 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.062 0.828 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.807 2.057 2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.220 2.793 2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.444 1.450 1.394 1.00 0.00 H new ATOM 60 N GLN A 5 1.035 2.881 -0.438 1.00 0.00 N ATOM 61 CA GLN A 5 2.350 3.405 -0.819 1.00 0.00 C ATOM 62 C GLN A 5 2.202 4.738 -1.571 1.00 0.00 C ATOM 63 O GLN A 5 2.715 5.763 -1.118 1.00 0.00 O ATOM 64 CB GLN A 5 3.113 2.342 -1.633 1.00 0.00 C ATOM 65 CG GLN A 5 3.587 1.188 -0.733 1.00 0.00 C ATOM 66 CD GLN A 5 4.125 0.002 -1.528 1.00 0.00 C ATOM 67 OE1 GLN A 5 3.462 -1.015 -1.698 1.00 0.00 O ATOM 68 NE2 GLN A 5 5.347 0.060 -2.015 1.00 0.00 N ATOM 0 H GLN A 5 0.625 2.277 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 5 2.937 3.618 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.469 1.952 -2.421 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.972 2.802 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.365 1.552 -0.062 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.757 0.855 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.910 0.900 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.731 -0.735 -2.526 1.00 0.00 H new ATOM 77 N CYS A 6 1.453 4.751 -2.680 1.00 0.00 N ATOM 78 CA CYS A 6 1.415 5.865 -3.635 1.00 0.00 C ATOM 79 C CYS A 6 0.085 6.651 -3.656 1.00 0.00 C ATOM 80 O CYS A 6 -0.353 7.128 -4.703 1.00 0.00 O ATOM 81 CB CYS A 6 1.904 5.386 -5.006 1.00 0.00 C ATOM 82 SG CYS A 6 3.591 4.716 -4.998 1.00 0.00 S ATOM 0 H CYS A 6 0.846 3.975 -2.943 1.00 0.00 H new ATOM 0 HA CYS A 6 2.113 6.626 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.222 4.620 -5.376 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.859 6.219 -5.707 1.00 0.00 H new ATOM 87 N CYS A 7 -0.554 6.821 -2.494 1.00 0.00 N ATOM 88 CA CYS A 7 -1.329 8.031 -2.181 1.00 0.00 C ATOM 89 C CYS A 7 -0.670 8.902 -1.078 1.00 0.00 C ATOM 90 O CYS A 7 -0.985 10.088 -0.953 1.00 0.00 O ATOM 91 CB CYS A 7 -2.781 7.648 -1.850 1.00 0.00 C ATOM 92 SG CYS A 7 -3.895 9.072 -1.639 1.00 0.00 S ATOM 0 H CYS A 7 -0.550 6.128 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.338 8.666 -3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.168 7.012 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.790 7.055 -0.936 1.00 0.00 H new ATOM 97 N THR A 8 0.257 8.343 -0.282 1.00 0.00 N ATOM 98 CA THR A 8 0.828 8.996 0.921 1.00 0.00 C ATOM 99 C THR A 8 2.331 9.328 0.826 1.00 0.00 C ATOM 100 O THR A 8 2.809 10.227 1.522 1.00 0.00 O ATOM 101 CB THR A 8 0.481 8.163 2.166 1.00 0.00 C ATOM 102 OG1 THR A 8 0.685 8.902 3.351 1.00 0.00 O ATOM 103 CG2 THR A 8 1.292 6.875 2.259 1.00 0.00 C ATOM 0 H THR A 8 0.640 7.413 -0.453 1.00 0.00 H new ATOM 0 HA THR A 8 0.362 9.978 1.002 1.00 0.00 H new ATOM 0 HB THR A 8 -0.573 7.905 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.455 8.348 4.126 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.005 6.328 3.157 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.098 6.259 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.354 7.116 2.305 1.00 0.00 H new ATOM 111 N SER A 9 3.076 8.651 -0.058 1.00 0.00 N ATOM 112 CA SER A 9 4.502 8.894 -0.345 1.00 0.00 C ATOM 113 C SER A 9 4.768 8.994 -1.853 1.00 0.00 C ATOM 114 O SER A 9 3.966 8.538 -2.669 1.00 0.00 O ATOM 115 CB SER A 9 5.370 7.777 0.252 1.00 0.00 C ATOM 116 OG SER A 9 5.366 7.820 1.671 1.00 0.00 O ATOM 0 H SER A 9 2.690 7.889 -0.616 1.00 0.00 H new ATOM 0 HA SER A 9 4.765 9.847 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.001 6.808 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.392 7.874 -0.114 1.00 0.00 H new ATOM 0 HG SER A 9 5.926 7.096 2.022 1.00 0.00 H new ATOM 122 N ILE A 10 5.918 9.566 -2.233 1.00 0.00 N ATOM 123 CA ILE A 10 6.360 9.663 -3.635 1.00 0.00 C ATOM 124 C ILE A 10 6.547 8.271 -4.258 1.00 0.00 C ATOM 125 O ILE A 10 7.229 7.411 -3.695 1.00 0.00 O ATOM 126 CB ILE A 10 7.603 10.577 -3.755 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.134 12.032 -3.511 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.315 10.433 -5.112 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.157 13.140 -3.782 1.00 0.00 C ATOM 0 H ILE A 10 6.576 9.979 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 10 5.576 10.141 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 10 8.343 10.283 -3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.259 12.217 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.809 12.115 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.179 11.096 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.644 9.402 -5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.626 10.698 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.706 14.110 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.026 12.998 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.468 13.101 -4.826 1.00 0.00 H new ATOM 141 N CYS A 11 5.951 8.078 -5.438 1.00 0.00 N ATOM 142 CA CYS A 11 6.108 6.888 -6.271 1.00 0.00 C ATOM 143 C CYS A 11 7.270 7.046 -7.267 1.00 0.00 C ATOM 144 O CYS A 11 7.719 8.162 -7.549 1.00 0.00 O ATOM 145 CB CYS A 11 4.789 6.605 -7.013 1.00 0.00 C ATOM 146 SG CYS A 11 4.209 4.892 -6.929 1.00 0.00 S ATOM 0 H CYS A 11 5.326 8.770 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 11 6.349 6.043 -5.626 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.015 7.254 -6.605 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.914 6.878 -8.061 1.00 0.00 H new ATOM 151 N SER A 12 7.700 5.938 -7.870 1.00 0.00 N ATOM 152 CA SER A 12 8.614 5.922 -9.020 1.00 0.00 C ATOM 153 C SER A 12 8.044 5.121 -10.187 1.00 0.00 C ATOM 154 O SER A 12 7.184 4.254 -10.008 1.00 0.00 O ATOM 155 CB SER A 12 9.986 5.371 -8.625 1.00 0.00 C ATOM 156 OG SER A 12 9.911 3.982 -8.368 1.00 0.00 O ATOM 0 H SER A 12 7.419 5.005 -7.569 1.00 0.00 H new ATOM 0 HA SER A 12 8.731 6.955 -9.346 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.703 5.560 -9.424 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.351 5.891 -7.739 1.00 0.00 H new ATOM 0 HG SER A 12 10.752 3.678 -7.967 1.00 0.00 H new ATOM 162 N LEU A 13 8.602 5.337 -11.379 1.00 0.00 N ATOM 163 CA LEU A 13 8.400 4.452 -12.528 1.00 0.00 C ATOM 164 C LEU A 13 8.733 2.990 -12.206 1.00 0.00 C ATOM 165 O LEU A 13 8.057 2.094 -12.698 1.00 0.00 O ATOM 166 CB LEU A 13 9.184 4.947 -13.756 1.00 0.00 C ATOM 167 CG LEU A 13 10.724 4.903 -13.737 1.00 0.00 C ATOM 168 CD1 LEU A 13 11.233 5.393 -15.091 1.00 0.00 C ATOM 169 CD2 LEU A 13 11.335 5.800 -12.665 1.00 0.00 C ATOM 0 H LEU A 13 9.209 6.133 -11.576 1.00 0.00 H new ATOM 0 HA LEU A 13 7.338 4.485 -12.770 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.850 4.364 -14.614 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.888 5.980 -13.938 1.00 0.00 H new ATOM 0 HG LEU A 13 11.015 3.875 -13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.323 5.370 -15.100 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.850 4.745 -15.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.890 6.414 -15.261 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.422 5.724 -12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.037 6.833 -12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.984 5.484 -11.683 1.00 0.00 H new ATOM 181 N TYR A 14 9.705 2.744 -11.323 1.00 0.00 N ATOM 182 CA TYR A 14 10.088 1.392 -10.918 1.00 0.00 C ATOM 183 C TYR A 14 8.993 0.726 -10.070 1.00 0.00 C ATOM 184 O TYR A 14 8.685 -0.448 -10.279 1.00 0.00 O ATOM 185 CB TYR A 14 11.431 1.439 -10.176 1.00 0.00 C ATOM 186 CG TYR A 14 12.519 2.230 -10.885 1.00 0.00 C ATOM 187 CD1 TYR A 14 12.953 1.845 -12.169 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.078 3.368 -10.269 1.00 0.00 C ATOM 189 CE1 TYR A 14 13.937 2.597 -12.838 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.067 4.121 -10.932 1.00 0.00 C ATOM 191 CZ TYR A 14 14.498 3.738 -12.222 1.00 0.00 C ATOM 192 OH TYR A 14 15.449 4.460 -12.876 1.00 0.00 O ATOM 0 H TYR A 14 10.248 3.479 -10.869 1.00 0.00 H new ATOM 0 HA TYR A 14 10.205 0.778 -11.811 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.271 1.872 -9.189 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.783 0.419 -10.024 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.530 0.971 -12.641 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.747 3.664 -9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.264 2.301 -13.824 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.495 4.990 -10.455 1.00 0.00 H new ATOM 0 HH TYR A 14 15.730 5.213 -12.316 1.00 0.00 H new ATOM 202 N GLN A 15 8.340 1.467 -9.168 1.00 0.00 N ATOM 203 CA GLN A 15 7.194 0.954 -8.404 1.00 0.00 C ATOM 204 C GLN A 15 5.993 0.701 -9.324 1.00 0.00 C ATOM 205 O GLN A 15 5.391 -0.370 -9.276 1.00 0.00 O ATOM 206 CB GLN A 15 6.789 1.942 -7.298 1.00 0.00 C ATOM 207 CG GLN A 15 7.842 2.083 -6.195 1.00 0.00 C ATOM 208 CD GLN A 15 7.359 3.014 -5.090 1.00 0.00 C ATOM 209 OE1 GLN A 15 7.833 4.129 -4.934 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.388 2.610 -4.299 1.00 0.00 N ATOM 0 H GLN A 15 8.587 2.432 -8.947 1.00 0.00 H new ATOM 0 HA GLN A 15 7.498 0.012 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.606 2.920 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.849 1.614 -6.854 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.067 1.102 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.769 2.468 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.985 1.681 -4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.039 3.226 -3.565 1.00 0.00 H new ATOM 219 N LEU A 16 5.690 1.647 -10.219 1.00 0.00 N ATOM 220 CA LEU A 16 4.608 1.524 -11.199 1.00 0.00 C ATOM 221 C LEU A 16 4.815 0.328 -12.152 1.00 0.00 C ATOM 222 O LEU A 16 3.860 -0.384 -12.462 1.00 0.00 O ATOM 223 CB LEU A 16 4.487 2.845 -11.966 1.00 0.00 C ATOM 224 CG LEU A 16 4.091 4.087 -11.144 1.00 0.00 C ATOM 225 CD1 LEU A 16 4.303 5.349 -11.981 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.629 4.074 -10.711 1.00 0.00 C ATOM 0 H LEU A 16 6.196 2.530 -10.283 1.00 0.00 H new ATOM 0 HA LEU A 16 3.676 1.323 -10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.443 3.047 -12.449 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.751 2.712 -12.759 1.00 0.00 H new ATOM 0 HG LEU A 16 4.720 4.075 -10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.022 6.225 -11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.352 5.425 -12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.686 5.298 -12.878 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.412 4.974 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.989 4.043 -11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.440 3.195 -10.094 1.00 0.00 H new ATOM 238 N GLU A 17 6.061 0.049 -12.542 1.00 0.00 N ATOM 239 CA GLU A 17 6.436 -1.137 -13.324 1.00 0.00 C ATOM 240 C GLU A 17 6.223 -2.453 -12.547 1.00 0.00 C ATOM 241 O GLU A 17 5.764 -3.444 -13.122 1.00 0.00 O ATOM 242 CB GLU A 17 7.889 -1.038 -13.819 1.00 0.00 C ATOM 243 CG GLU A 17 8.009 -0.180 -15.086 1.00 0.00 C ATOM 244 CD GLU A 17 9.463 -0.161 -15.598 1.00 0.00 C ATOM 245 OE1 GLU A 17 9.841 -1.062 -16.388 1.00 0.00 O1- ATOM 246 OE2 GLU A 17 10.242 0.749 -15.225 1.00 0.00 O ATOM 0 H GLU A 17 6.854 0.651 -12.320 1.00 0.00 H new ATOM 0 HA GLU A 17 5.770 -1.160 -14.187 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.511 -0.612 -13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.272 -2.038 -14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.351 -0.573 -15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.680 0.837 -14.874 1.00 0.00 H new ATOM 253 N ASN A 18 6.490 -2.473 -11.232 1.00 0.00 N ATOM 254 CA ASN A 18 6.171 -3.620 -10.369 1.00 0.00 C ATOM 255 C ASN A 18 4.652 -3.840 -10.240 1.00 0.00 C ATOM 256 O ASN A 18 4.203 -4.988 -10.200 1.00 0.00 O ATOM 257 CB ASN A 18 6.801 -3.449 -8.972 1.00 0.00 C ATOM 258 CG ASN A 18 8.260 -3.860 -8.900 1.00 0.00 C ATOM 259 OD1 ASN A 18 8.596 -4.992 -8.579 1.00 0.00 O ATOM 260 ND2 ASN A 18 9.175 -2.961 -9.170 1.00 0.00 N ATOM 0 H ASN A 18 6.932 -1.697 -10.739 1.00 0.00 H new ATOM 0 HA ASN A 18 6.597 -4.503 -10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.712 -2.405 -8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.232 -4.038 -8.253 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.163 -3.206 -9.112 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.899 -2.016 -9.438 1.00 0.00 H new ATOM 267 N TYR A 19 3.852 -2.768 -10.198 1.00 0.00 N ATOM 268 CA TYR A 19 2.393 -2.862 -10.088 1.00 0.00 C ATOM 269 C TYR A 19 1.727 -3.342 -11.388 1.00 0.00 C ATOM 270 O TYR A 19 0.790 -4.142 -11.338 1.00 0.00 O ATOM 271 CB TYR A 19 1.796 -1.508 -9.687 1.00 0.00 C ATOM 272 CG TYR A 19 2.305 -0.857 -8.407 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.521 -1.600 -7.228 1.00 0.00 C ATOM 274 CD2 TYR A 19 2.510 0.535 -8.395 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.990 -0.958 -6.063 1.00 0.00 C ATOM 276 CE2 TYR A 19 2.982 1.181 -7.240 1.00 0.00 C ATOM 277 CZ TYR A 19 3.229 0.434 -6.069 1.00 0.00 C ATOM 278 OH TYR A 19 3.667 1.056 -4.942 1.00 0.00 O ATOM 0 H TYR A 19 4.199 -1.810 -10.239 1.00 0.00 H new ATOM 0 HA TYR A 19 2.191 -3.605 -9.317 1.00 0.00 H new ATOM 0 HB2 TYR A 19 1.966 -0.811 -10.508 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.717 -1.632 -9.593 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.327 -2.662 -7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.302 1.113 -9.283 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.167 -1.532 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.155 2.247 -7.249 1.00 0.00 H new ATOM 0 HH TYR A 19 3.592 2.027 -5.054 1.00 0.00 H new ATOM 288 N CYS A 20 2.196 -2.874 -12.552 1.00 0.00 N ATOM 289 CA CYS A 20 1.603 -3.218 -13.849 1.00 0.00 C ATOM 290 C CYS A 20 1.935 -4.657 -14.295 1.00 0.00 C ATOM 291 O CYS A 20 1.069 -5.352 -14.830 1.00 0.00 O ATOM 292 CB CYS A 20 2.034 -2.172 -14.886 1.00 0.00 C ATOM 293 SG CYS A 20 3.730 -2.331 -15.498 1.00 0.00 S ATOM 0 H CYS A 20 2.997 -2.246 -12.620 1.00 0.00 H new ATOM 0 HA CYS A 20 0.518 -3.198 -13.752 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.353 -2.227 -15.736 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.916 -1.181 -14.447 1.00 0.00 H new ATOM 298 N ASN A 21 3.170 -5.111 -14.030 1.00 0.00 N ATOM 299 CA ASN A 21 3.711 -6.444 -14.324 1.00 0.00 C ATOM 300 C ASN A 21 3.312 -6.978 -15.722 1.00 0.00 C ATOM 301 O ASN A 21 2.716 -8.057 -15.868 1.00 0.00 O ATOM 302 CB ASN A 21 3.370 -7.383 -13.148 1.00 0.00 C ATOM 303 CG ASN A 21 4.127 -8.705 -13.178 1.00 0.00 C ATOM 304 OD1 ASN A 21 5.104 -8.896 -13.892 1.00 0.00 O ATOM 305 ND2 ASN A 21 3.717 -9.662 -12.375 1.00 0.00 N ATOM 0 H ASN A 21 3.862 -4.516 -13.574 1.00 0.00 H new ATOM 0 HA ASN A 21 4.797 -6.386 -14.401 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.589 -6.871 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.299 -7.588 -13.157 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.211 -10.554 -12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.905 -9.513 -11.777 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 9.657 10.130 -16.749 1.00 0.00 N ATOM 314 CA PHE B 1 9.022 10.237 -15.434 1.00 0.00 C ATOM 315 C PHE B 1 9.607 11.388 -14.592 1.00 0.00 C ATOM 316 O PHE B 1 10.795 11.711 -14.702 1.00 0.00 O ATOM 317 CB PHE B 1 9.173 8.898 -14.692 1.00 0.00 C ATOM 318 CG PHE B 1 8.408 8.802 -13.385 1.00 0.00 C ATOM 319 CD1 PHE B 1 7.037 8.479 -13.387 1.00 0.00 C ATOM 320 CD2 PHE B 1 9.064 9.045 -12.163 1.00 0.00 C ATOM 321 CE1 PHE B 1 6.329 8.402 -12.175 1.00 0.00 C ATOM 322 CE2 PHE B 1 8.353 8.973 -10.953 1.00 0.00 C ATOM 323 CZ PHE B 1 6.984 8.654 -10.957 1.00 0.00 C ATOM 0 H1 PHE B 1 9.041 10.561 -17.468 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.571 10.626 -16.734 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.810 9.128 -16.980 1.00 0.00 H new ATOM 0 HA PHE B 1 7.967 10.465 -15.585 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.841 8.095 -15.350 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.231 8.728 -14.490 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.529 8.290 -14.321 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.116 9.287 -12.156 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.279 8.149 -12.180 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.859 9.163 -10.018 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.437 8.603 -10.027 1.00 0.00 H new ATOM 333 N VAL B 2 8.785 11.963 -13.707 1.00 0.00 N ATOM 334 CA VAL B 2 9.203 12.884 -12.635 1.00 0.00 C ATOM 335 C VAL B 2 8.517 12.514 -11.316 1.00 0.00 C ATOM 336 O VAL B 2 7.330 12.178 -11.301 1.00 0.00 O ATOM 337 CB VAL B 2 8.955 14.371 -12.982 1.00 0.00 C ATOM 338 CG1 VAL B 2 9.857 14.837 -14.130 1.00 0.00 C ATOM 339 CG2 VAL B 2 7.500 14.698 -13.351 1.00 0.00 C ATOM 0 H VAL B 2 7.779 11.797 -13.714 1.00 0.00 H new ATOM 0 HA VAL B 2 10.281 12.769 -12.525 1.00 0.00 H new ATOM 0 HB VAL B 2 9.193 14.905 -12.062 1.00 0.00 H new ATOM 0 HG11 VAL B 2 9.656 15.886 -14.348 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.902 14.719 -13.843 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.655 14.237 -15.018 1.00 0.00 H new ATOM 0 HG21 VAL B 2 7.413 15.760 -13.580 1.00 0.00 H new ATOM 0 HG22 VAL B 2 7.205 14.113 -14.223 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.848 14.453 -12.513 1.00 0.00 H new ATOM 349 N ASN B 3 9.263 12.578 -10.208 1.00 0.00 N ATOM 350 CA ASN B 3 8.775 12.252 -8.860 1.00 0.00 C ATOM 351 C ASN B 3 7.469 12.972 -8.482 1.00 0.00 C ATOM 352 O ASN B 3 7.363 14.198 -8.581 1.00 0.00 O ATOM 353 CB ASN B 3 9.848 12.533 -7.791 1.00 0.00 C ATOM 354 CG ASN B 3 10.655 13.813 -7.980 1.00 0.00 C ATOM 355 OD1 ASN B 3 11.864 13.787 -8.157 1.00 0.00 O ATOM 356 ND2 ASN B 3 10.032 14.970 -7.954 1.00 0.00 N ATOM 0 H ASN B 3 10.242 12.863 -10.221 1.00 0.00 H new ATOM 0 HA ASN B 3 8.555 11.185 -8.888 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.361 12.574 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.539 11.691 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.557 15.835 -8.081 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.023 15.003 -7.807 1.00 0.00 H new ATOM 363 N GLN B 4 6.501 12.200 -7.986 1.00 0.00 N ATOM 364 CA GLN B 4 5.195 12.670 -7.536 1.00 0.00 C ATOM 365 C GLN B 4 4.511 11.623 -6.642 1.00 0.00 C ATOM 366 O GLN B 4 4.747 10.419 -6.765 1.00 0.00 O ATOM 367 CB GLN B 4 4.331 13.045 -8.757 1.00 0.00 C ATOM 368 CG GLN B 4 4.086 11.897 -9.752 1.00 0.00 C ATOM 369 CD GLN B 4 3.648 12.421 -11.116 1.00 0.00 C ATOM 370 OE1 GLN B 4 2.480 12.681 -11.374 1.00 0.00 O ATOM 371 NE2 GLN B 4 4.570 12.619 -12.033 1.00 0.00 N ATOM 0 H GLN B 4 6.612 11.191 -7.884 1.00 0.00 H new ATOM 0 HA GLN B 4 5.325 13.564 -6.926 1.00 0.00 H new ATOM 0 HB2 GLN B 4 3.368 13.412 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.812 13.868 -9.285 1.00 0.00 H new ATOM 0 HG2 GLN B 4 4.998 11.310 -9.863 1.00 0.00 H new ATOM 0 HG3 GLN B 4 3.322 11.228 -9.356 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.546 12.406 -11.829 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.309 12.986 -12.948 1.00 0.00 H new ATOM 380 N HIS B 5 3.672 12.095 -5.723 1.00 0.00 N ATOM 381 CA HIS B 5 2.943 11.262 -4.746 1.00 0.00 C ATOM 382 C HIS B 5 1.901 10.322 -5.355 1.00 0.00 C ATOM 383 O HIS B 5 1.783 9.183 -4.909 1.00 0.00 O ATOM 384 CB HIS B 5 2.305 12.150 -3.669 1.00 0.00 C ATOM 385 CG HIS B 5 3.303 12.750 -2.708 1.00 0.00 C ATOM 386 ND1 HIS B 5 3.491 12.340 -1.385 1.00 0.00 N ATOM 387 CD2 HIS B 5 4.160 13.779 -2.975 1.00 0.00 C ATOM 388 CE1 HIS B 5 4.444 13.141 -0.879 1.00 0.00 C ATOM 389 NE2 HIS B 5 4.861 14.016 -1.812 1.00 0.00 N ATOM 0 H HIS B 5 3.469 13.090 -5.628 1.00 0.00 H new ATOM 0 HA HIS B 5 3.692 10.606 -4.301 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.752 12.954 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.581 11.560 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.267 14.304 -3.913 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.821 13.090 0.132 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.575 14.733 -1.681 1.00 0.00 H new ATOM 397 N LEU B 6 1.184 10.795 -6.378 1.00 0.00 N ATOM 398 CA LEU B 6 -0.040 10.183 -6.939 1.00 0.00 C ATOM 399 C LEU B 6 -1.151 9.982 -5.873 1.00 0.00 C ATOM 400 O LEU B 6 -1.000 10.362 -4.711 1.00 0.00 O ATOM 401 CB LEU B 6 0.314 8.883 -7.713 1.00 0.00 C ATOM 402 CG LEU B 6 1.386 9.039 -8.811 1.00 0.00 C ATOM 403 CD1 LEU B 6 1.833 7.677 -9.331 1.00 0.00 C ATOM 404 CD2 LEU B 6 0.854 9.847 -9.996 1.00 0.00 C ATOM 0 H LEU B 6 1.446 11.652 -6.864 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.470 10.881 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.657 8.136 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.596 8.493 -8.170 1.00 0.00 H new ATOM 0 HG LEU B 6 2.228 9.562 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.589 7.813 -10.104 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.253 7.095 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.977 7.149 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.633 9.939 -10.753 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.010 9.339 -10.425 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.559 10.840 -9.656 1.00 0.00 H new ATOM 416 N CYS B 7 -2.303 9.440 -6.289 1.00 0.00 N ATOM 417 CA CYS B 7 -3.324 8.800 -5.442 1.00 0.00 C ATOM 418 C CYS B 7 -4.254 7.937 -6.330 1.00 0.00 C ATOM 419 O CYS B 7 -4.058 7.872 -7.544 1.00 0.00 O ATOM 420 CB CYS B 7 -4.119 9.848 -4.640 1.00 0.00 C ATOM 421 SG CYS B 7 -5.113 9.160 -3.277 1.00 0.00 S ATOM 0 H CYS B 7 -2.563 9.435 -7.275 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.833 8.154 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.422 10.580 -4.231 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.780 10.383 -5.321 1.00 0.00 H new ATOM 426 N GLY B 8 -5.263 7.269 -5.761 1.00 0.00 N ATOM 427 CA GLY B 8 -6.187 6.368 -6.467 1.00 0.00 C ATOM 428 C GLY B 8 -6.806 6.910 -7.758 1.00 0.00 C ATOM 429 O GLY B 8 -7.041 8.112 -7.899 1.00 0.00 O ATOM 0 H GLY B 8 -5.468 7.341 -4.764 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.654 5.447 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -6.995 6.103 -5.785 1.00 0.00 H new ATOM 433 N SER B 9 -7.054 6.000 -8.708 1.00 0.00 N ATOM 434 CA SER B 9 -7.369 6.213 -10.137 1.00 0.00 C ATOM 435 C SER B 9 -6.301 6.973 -10.944 1.00 0.00 C ATOM 436 O SER B 9 -6.009 6.586 -12.076 1.00 0.00 O ATOM 437 CB SER B 9 -8.784 6.777 -10.347 1.00 0.00 C ATOM 438 OG SER B 9 -8.888 8.150 -10.008 1.00 0.00 O ATOM 0 H SER B 9 -7.039 5.005 -8.482 1.00 0.00 H new ATOM 0 HA SER B 9 -7.350 5.211 -10.565 1.00 0.00 H new ATOM 0 HB2 SER B 9 -9.072 6.643 -11.390 1.00 0.00 H new ATOM 0 HB3 SER B 9 -9.490 6.205 -9.745 1.00 0.00 H new ATOM 0 HG SER B 9 -8.304 8.344 -9.245 1.00 0.00 H new ATOM 444 N HIS B 10 -5.619 7.958 -10.351 1.00 0.00 N ATOM 445 CA HIS B 10 -4.494 8.665 -11.000 1.00 0.00 C ATOM 446 C HIS B 10 -3.245 7.775 -11.053 1.00 0.00 C ATOM 447 O HIS B 10 -2.531 7.735 -12.052 1.00 0.00 O ATOM 448 CB HIS B 10 -4.201 9.995 -10.286 1.00 0.00 C ATOM 449 CG HIS B 10 -5.228 11.072 -10.544 1.00 0.00 C ATOM 450 ND1 HIS B 10 -4.991 12.269 -11.228 1.00 0.00 N ATOM 451 CD2 HIS B 10 -6.533 11.048 -10.148 1.00 0.00 C ATOM 452 CE1 HIS B 10 -6.160 12.934 -11.230 1.00 0.00 C ATOM 453 NE2 HIS B 10 -7.102 12.223 -10.588 1.00 0.00 N ATOM 0 H HIS B 10 -5.825 8.292 -9.410 1.00 0.00 H new ATOM 0 HA HIS B 10 -4.782 8.893 -12.026 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -4.142 9.814 -9.213 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -3.223 10.357 -10.602 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -7.025 10.260 -9.596 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -6.319 13.901 -11.683 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -8.072 12.505 -10.450 1.00 0.00 H new ATOM 461 N LEU B 11 -3.042 6.988 -9.998 1.00 0.00 N ATOM 462 CA LEU B 11 -2.046 5.928 -9.850 1.00 0.00 C ATOM 463 C LEU B 11 -2.265 4.771 -10.845 1.00 0.00 C ATOM 464 O LEU B 11 -1.303 4.211 -11.370 1.00 0.00 O ATOM 465 CB LEU B 11 -2.160 5.491 -8.376 1.00 0.00 C ATOM 466 CG LEU B 11 -1.251 4.364 -7.876 1.00 0.00 C ATOM 467 CD1 LEU B 11 0.223 4.672 -8.101 1.00 0.00 C ATOM 468 CD2 LEU B 11 -1.499 4.206 -6.374 1.00 0.00 C ATOM 0 H LEU B 11 -3.614 7.082 -9.159 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.040 6.275 -10.085 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.974 6.367 -7.755 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.192 5.188 -8.199 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.483 3.454 -8.429 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.828 3.845 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.408 4.808 -9.167 1.00 0.00 H new ATOM 0 HD13 LEU B 11 0.490 5.584 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.866 3.409 -5.983 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.262 5.141 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.546 3.955 -6.202 1.00 0.00 H new ATOM 480 N VAL B 12 -3.529 4.464 -11.160 1.00 0.00 N ATOM 481 CA VAL B 12 -3.907 3.450 -12.164 1.00 0.00 C ATOM 482 C VAL B 12 -3.619 3.954 -13.584 1.00 0.00 C ATOM 483 O VAL B 12 -3.105 3.201 -14.409 1.00 0.00 O ATOM 484 CB VAL B 12 -5.381 3.022 -12.007 1.00 0.00 C ATOM 485 CG1 VAL B 12 -5.752 1.887 -12.970 1.00 0.00 C ATOM 486 CG2 VAL B 12 -5.672 2.525 -10.582 1.00 0.00 C ATOM 0 H VAL B 12 -4.332 4.916 -10.722 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.294 2.565 -11.992 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.973 3.910 -12.230 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.798 1.616 -12.827 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.600 2.217 -13.998 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.122 1.020 -12.771 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.719 2.231 -10.506 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.037 1.667 -10.359 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.466 3.323 -9.869 1.00 0.00 H new ATOM 496 N GLU B 13 -3.855 5.238 -13.868 1.00 0.00 N ATOM 497 CA GLU B 13 -3.417 5.857 -15.126 1.00 0.00 C ATOM 498 C GLU B 13 -1.883 5.938 -15.226 1.00 0.00 C ATOM 499 O GLU B 13 -1.328 5.633 -16.279 1.00 0.00 O ATOM 500 CB GLU B 13 -4.049 7.246 -15.302 1.00 0.00 C ATOM 501 CG GLU B 13 -5.546 7.162 -15.626 1.00 0.00 C ATOM 502 CD GLU B 13 -6.128 8.558 -15.920 1.00 0.00 C ATOM 503 OE1 GLU B 13 -6.541 9.268 -14.970 1.00 0.00 O1- ATOM 504 OE2 GLU B 13 -6.186 8.958 -17.110 1.00 0.00 O ATOM 0 H GLU B 13 -4.349 5.873 -13.241 1.00 0.00 H new ATOM 0 HA GLU B 13 -3.761 5.215 -15.937 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -3.908 7.826 -14.390 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -3.535 7.779 -16.102 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.699 6.512 -16.487 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -6.078 6.712 -14.788 1.00 0.00 H new ATOM 511 N ALA B 14 -1.177 6.271 -14.140 1.00 0.00 N ATOM 512 CA ALA B 14 0.283 6.382 -14.137 1.00 0.00 C ATOM 513 C ALA B 14 0.989 5.057 -14.489 1.00 0.00 C ATOM 514 O ALA B 14 1.945 5.063 -15.269 1.00 0.00 O ATOM 515 CB ALA B 14 0.731 6.914 -12.771 1.00 0.00 C ATOM 0 H ALA B 14 -1.605 6.471 -13.236 1.00 0.00 H new ATOM 0 HA ALA B 14 0.576 7.080 -14.921 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.817 7.002 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.285 7.893 -12.598 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.410 6.225 -11.989 1.00 0.00 H new ATOM 521 N LEU B 15 0.501 3.915 -13.980 1.00 0.00 N ATOM 522 CA LEU B 15 1.075 2.599 -14.295 1.00 0.00 C ATOM 523 C LEU B 15 0.691 2.124 -15.707 1.00 0.00 C ATOM 524 O LEU B 15 1.519 1.539 -16.403 1.00 0.00 O ATOM 525 CB LEU B 15 0.789 1.584 -13.168 1.00 0.00 C ATOM 526 CG LEU B 15 -0.672 1.129 -12.988 1.00 0.00 C ATOM 527 CD1 LEU B 15 -1.046 -0.062 -13.875 1.00 0.00 C ATOM 528 CD2 LEU B 15 -0.923 0.700 -11.543 1.00 0.00 C ATOM 0 H LEU B 15 -0.296 3.878 -13.344 1.00 0.00 H new ATOM 0 HA LEU B 15 2.160 2.692 -14.330 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.399 0.699 -13.347 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.126 2.019 -12.227 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.280 1.989 -13.269 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.087 -0.333 -13.700 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.912 0.208 -14.922 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.405 -0.910 -13.634 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -1.960 0.382 -11.433 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.260 -0.127 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.728 1.539 -10.875 1.00 0.00 H new ATOM 540 N TYR B 16 -0.519 2.450 -16.174 1.00 0.00 N ATOM 541 CA TYR B 16 -0.942 2.212 -17.560 1.00 0.00 C ATOM 542 C TYR B 16 -0.067 2.994 -18.557 1.00 0.00 C ATOM 543 O TYR B 16 0.336 2.450 -19.585 1.00 0.00 O ATOM 544 CB TYR B 16 -2.435 2.564 -17.693 1.00 0.00 C ATOM 545 CG TYR B 16 -2.858 3.116 -19.040 1.00 0.00 C ATOM 546 CD1 TYR B 16 -3.080 2.258 -20.133 1.00 0.00 C ATOM 547 CD2 TYR B 16 -2.987 4.510 -19.202 1.00 0.00 C ATOM 548 CE1 TYR B 16 -3.434 2.790 -21.389 1.00 0.00 C ATOM 549 CE2 TYR B 16 -3.339 5.047 -20.455 1.00 0.00 C ATOM 550 CZ TYR B 16 -3.564 4.188 -21.553 1.00 0.00 C ATOM 551 OH TYR B 16 -3.902 4.714 -22.763 1.00 0.00 O ATOM 0 H TYR B 16 -1.237 2.889 -15.598 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.809 1.159 -17.806 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -3.021 1.669 -17.487 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.688 3.295 -16.925 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -2.979 1.190 -20.009 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.815 5.168 -18.363 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.606 2.130 -22.226 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.437 6.116 -20.576 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.948 5.690 -22.694 1.00 0.00 H new ATOM 561 N LEU B 17 0.286 4.244 -18.236 1.00 0.00 N ATOM 562 CA LEU B 17 1.086 5.114 -19.101 1.00 0.00 C ATOM 563 C LEU B 17 2.545 4.657 -19.208 1.00 0.00 C ATOM 564 O LEU B 17 3.094 4.600 -20.310 1.00 0.00 O ATOM 565 CB LEU B 17 1.032 6.550 -18.557 1.00 0.00 C ATOM 566 CG LEU B 17 -0.261 7.322 -18.884 1.00 0.00 C ATOM 567 CD1 LEU B 17 -0.303 8.623 -18.079 1.00 0.00 C ATOM 568 CD2 LEU B 17 -0.366 7.679 -20.369 1.00 0.00 C ATOM 0 H LEU B 17 0.019 4.684 -17.355 1.00 0.00 H new ATOM 0 HA LEU B 17 0.661 5.065 -20.104 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.154 6.517 -17.474 1.00 0.00 H new ATOM 0 HB3 LEU B 17 1.880 7.106 -18.956 1.00 0.00 H new ATOM 0 HG LEU B 17 -1.094 6.669 -18.624 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -1.219 9.166 -18.313 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -0.280 8.393 -17.014 1.00 0.00 H new ATOM 0 HD13 LEU B 17 0.559 9.238 -18.336 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -1.294 8.222 -20.548 1.00 0.00 H new ATOM 0 HD22 LEU B 17 0.481 8.304 -20.654 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.359 6.766 -20.964 1.00 0.00 H new ATOM 580 N VAL B 18 3.178 4.327 -18.075 1.00 0.00 N ATOM 581 CA VAL B 18 4.607 3.968 -18.037 1.00 0.00 C ATOM 582 C VAL B 18 4.884 2.567 -18.593 1.00 0.00 C ATOM 583 O VAL B 18 5.959 2.329 -19.147 1.00 0.00 O ATOM 584 CB VAL B 18 5.170 4.187 -16.623 1.00 0.00 C ATOM 585 CG1 VAL B 18 4.718 3.174 -15.578 1.00 0.00 C ATOM 586 CG2 VAL B 18 6.691 4.156 -16.563 1.00 0.00 C ATOM 0 H VAL B 18 2.721 4.300 -17.164 1.00 0.00 H new ATOM 0 HA VAL B 18 5.143 4.637 -18.710 1.00 0.00 H new ATOM 0 HB VAL B 18 4.769 5.174 -16.391 1.00 0.00 H new ATOM 0 HG11 VAL B 18 5.170 3.417 -14.616 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.632 3.205 -15.487 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.028 2.174 -15.883 1.00 0.00 H new ATOM 0 HG21 VAL B 18 7.018 4.317 -15.536 1.00 0.00 H new ATOM 0 HG22 VAL B 18 7.049 3.187 -16.910 1.00 0.00 H new ATOM 0 HG23 VAL B 18 7.096 4.942 -17.200 1.00 0.00 H new ATOM 596 N CYS B 19 3.907 1.656 -18.514 1.00 0.00 N ATOM 597 CA CYS B 19 4.034 0.284 -18.999 1.00 0.00 C ATOM 598 C CYS B 19 3.410 0.032 -20.385 1.00 0.00 C ATOM 599 O CYS B 19 3.823 -0.893 -21.086 1.00 0.00 O ATOM 600 CB CYS B 19 3.387 -0.617 -17.953 1.00 0.00 C ATOM 601 SG CYS B 19 4.158 -0.528 -16.320 1.00 0.00 S ATOM 0 H CYS B 19 2.995 1.858 -18.105 1.00 0.00 H new ATOM 0 HA CYS B 19 5.094 0.070 -19.136 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.334 -0.350 -17.861 1.00 0.00 H new ATOM 0 HB3 CYS B 19 3.424 -1.648 -18.305 1.00 0.00 H new ATOM 606 N GLY B 20 2.392 0.808 -20.769 1.00 0.00 N ATOM 607 CA GLY B 20 1.558 0.574 -21.956 1.00 0.00 C ATOM 608 C GLY B 20 0.533 -0.563 -21.808 1.00 0.00 C ATOM 609 O GLY B 20 -0.233 -0.822 -22.739 1.00 0.00 O ATOM 0 H GLY B 20 2.116 1.641 -20.249 1.00 0.00 H new ATOM 0 HA2 GLY B 20 1.027 1.495 -22.197 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.208 0.351 -22.802 1.00 0.00 H new ATOM 613 N GLU B 21 0.499 -1.256 -20.665 1.00 0.00 N ATOM 614 CA GLU B 21 -0.421 -2.370 -20.388 1.00 0.00 C ATOM 615 C GLU B 21 -1.802 -1.848 -19.956 1.00 0.00 C ATOM 616 O GLU B 21 -1.908 -1.022 -19.045 1.00 0.00 O ATOM 617 CB GLU B 21 0.177 -3.326 -19.340 1.00 0.00 C ATOM 618 CG GLU B 21 1.463 -4.001 -19.842 1.00 0.00 C ATOM 619 CD GLU B 21 1.905 -5.145 -18.911 1.00 0.00 C ATOM 620 OE1 GLU B 21 1.405 -6.286 -19.071 1.00 0.00 O1- ATOM 621 OE2 GLU B 21 2.772 -4.923 -18.031 1.00 0.00 O ATOM 0 H GLU B 21 1.125 -1.055 -19.886 1.00 0.00 H new ATOM 0 HA GLU B 21 -0.559 -2.936 -21.309 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.391 -2.773 -18.426 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.558 -4.090 -19.086 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.301 -4.391 -20.847 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.260 -3.260 -19.912 1.00 0.00 H new ATOM 628 N ARG B 22 -2.863 -2.316 -20.633 1.00 0.00 N ATOM 629 CA ARG B 22 -4.211 -1.711 -20.617 1.00 0.00 C ATOM 630 C ARG B 22 -5.366 -2.678 -20.302 1.00 0.00 C ATOM 631 O ARG B 22 -6.532 -2.345 -20.520 1.00 0.00 O ATOM 632 CB ARG B 22 -4.403 -0.910 -21.924 1.00 0.00 C ATOM 633 CG ARG B 22 -4.792 -1.694 -23.195 1.00 0.00 C ATOM 634 CD ARG B 22 -3.947 -2.922 -23.567 1.00 0.00 C ATOM 635 NE ARG B 22 -2.524 -2.596 -23.807 1.00 0.00 N ATOM 636 CZ ARG B 22 -1.651 -3.337 -24.468 1.00 0.00 C ATOM 637 NH1 ARG B 22 -1.960 -4.489 -24.993 1.00 0.00 N1+ ATOM 638 NH2 ARG B 22 -0.427 -2.925 -24.601 1.00 0.00 N ATOM 0 H ARG B 22 -2.809 -3.147 -21.223 1.00 0.00 H new ATOM 0 HA ARG B 22 -4.260 -1.033 -19.765 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -5.171 -0.157 -21.746 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -3.475 -0.377 -22.130 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.826 -2.020 -23.084 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.765 -1.002 -24.037 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -4.015 -3.658 -22.766 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -4.363 -3.385 -24.462 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.183 -1.714 -23.425 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.909 -4.853 -24.902 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.253 -5.027 -25.495 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.142 -2.033 -24.196 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.250 -3.493 -25.110 1.00 0.00 H new ATOM 652 N GLY B 23 -5.048 -3.876 -19.808 1.00 0.00 N ATOM 653 CA GLY B 23 -6.003 -4.960 -19.541 1.00 0.00 C ATOM 654 C GLY B 23 -5.500 -5.980 -18.513 1.00 0.00 C ATOM 655 O GLY B 23 -4.499 -5.755 -17.827 1.00 0.00 O ATOM 0 H GLY B 23 -4.088 -4.129 -19.574 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.939 -4.529 -19.185 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.224 -5.477 -20.475 1.00 0.00 H new HETATM 659 N DHI B 24 -6.202 -7.113 -18.405 1.00 0.00 N HETATM 660 CA DHI B 24 -5.873 -8.213 -17.476 1.00 0.00 C HETATM 661 C DHI B 24 -6.515 -8.061 -16.085 1.00 0.00 C HETATM 662 O DHI B 24 -6.110 -8.738 -15.137 1.00 0.00 O HETATM 663 CB DHI B 24 -6.278 -9.551 -18.118 1.00 0.00 C HETATM 664 CG DHI B 24 -5.682 -9.794 -19.486 1.00 0.00 C HETATM 665 ND1 DHI B 24 -6.371 -10.296 -20.595 1.00 0.00 N HETATM 666 CD2 DHI B 24 -4.388 -9.547 -19.849 1.00 0.00 C HETATM 667 CE1 DHI B 24 -5.476 -10.342 -21.599 1.00 0.00 C HETATM 668 NE2 DHI B 24 -4.279 -9.898 -21.178 1.00 0.00 N HETATM 0 HE2 DHI B 24 -3.434 -9.832 -21.745 1.00 0.00 H new HETATM 0 HE1 DHI B 24 -5.691 -10.690 -22.609 1.00 0.00 H new HETATM 0 HD2 DHI B 24 -3.597 -9.150 -19.213 1.00 0.00 H new HETATM 0 HD1 DHI B 24 -7.352 -10.571 -20.635 1.00 0.00 H new HETATM 0 HB3 DHI B 24 -5.979 -10.363 -17.455 1.00 0.00 H new HETATM 0 HB2 DHI B 24 -7.365 -9.588 -18.197 1.00 0.00 H new HETATM 0 HA DHI B 24 -4.797 -8.182 -17.306 1.00 0.00 H new ATOM 676 N PHE B 25 -7.505 -7.174 -15.953 1.00 0.00 N ATOM 677 CA PHE B 25 -8.246 -6.916 -14.712 1.00 0.00 C ATOM 678 C PHE B 25 -9.166 -8.086 -14.308 1.00 0.00 C ATOM 679 O PHE B 25 -9.564 -8.908 -15.140 1.00 0.00 O ATOM 680 CB PHE B 25 -9.062 -5.620 -14.865 1.00 0.00 C ATOM 681 CG PHE B 25 -8.251 -4.405 -15.287 1.00 0.00 C ATOM 682 CD1 PHE B 25 -7.368 -3.795 -14.375 1.00 0.00 C ATOM 683 CD2 PHE B 25 -8.372 -3.887 -16.591 1.00 0.00 C ATOM 684 CE1 PHE B 25 -6.602 -2.683 -14.770 1.00 0.00 C ATOM 685 CE2 PHE B 25 -7.607 -2.774 -16.983 1.00 0.00 C ATOM 686 CZ PHE B 25 -6.717 -2.175 -16.075 1.00 0.00 C ATOM 0 H PHE B 25 -7.824 -6.596 -16.731 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.516 -6.808 -13.910 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.850 -5.787 -15.600 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.552 -5.401 -13.916 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.279 -4.182 -13.371 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.054 -4.346 -17.292 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.924 -2.219 -14.069 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.704 -2.379 -17.983 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.123 -1.326 -16.380 1.00 0.00 H new ATOM 696 N TYR B 26 -9.544 -8.132 -13.027 1.00 0.00 N ATOM 697 CA TYR B 26 -10.549 -9.062 -12.496 1.00 0.00 C ATOM 698 C TYR B 26 -11.968 -8.743 -13.011 1.00 0.00 C ATOM 699 O TYR B 26 -12.233 -7.645 -13.509 1.00 0.00 O ATOM 700 CB TYR B 26 -10.506 -9.035 -10.958 1.00 0.00 C ATOM 701 CG TYR B 26 -9.141 -9.330 -10.360 1.00 0.00 C ATOM 702 CD1 TYR B 26 -8.622 -10.640 -10.406 1.00 0.00 C ATOM 703 CD2 TYR B 26 -8.389 -8.297 -9.765 1.00 0.00 C ATOM 704 CE1 TYR B 26 -7.353 -10.916 -9.861 1.00 0.00 C ATOM 705 CE2 TYR B 26 -7.118 -8.571 -9.219 1.00 0.00 C ATOM 706 CZ TYR B 26 -6.596 -9.884 -9.267 1.00 0.00 C ATOM 707 OH TYR B 26 -5.370 -10.161 -8.741 1.00 0.00 O ATOM 0 H TYR B 26 -9.154 -7.513 -12.316 1.00 0.00 H new ATOM 0 HA TYR B 26 -10.307 -10.064 -12.851 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -10.834 -8.054 -10.615 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -11.221 -9.762 -10.574 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -9.198 -11.433 -10.860 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.787 -7.294 -9.727 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.958 -11.921 -9.898 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.543 -7.778 -8.764 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.980 -9.341 -8.372 1.00 0.00 H new ATOM 717 N THR B 27 -12.897 -9.694 -12.865 1.00 0.00 N ATOM 718 CA THR B 27 -14.315 -9.541 -13.256 1.00 0.00 C ATOM 719 C THR B 27 -14.995 -8.310 -12.621 1.00 0.00 C ATOM 720 O THR B 27 -15.573 -7.513 -13.370 1.00 0.00 O ATOM 721 CB THR B 27 -15.112 -10.833 -12.990 1.00 0.00 C ATOM 722 OG1 THR B 27 -14.429 -11.937 -13.554 1.00 0.00 O ATOM 723 CG2 THR B 27 -16.510 -10.801 -13.612 1.00 0.00 C ATOM 0 H THR B 27 -12.688 -10.609 -12.466 1.00 0.00 H new ATOM 0 HA THR B 27 -14.316 -9.359 -14.331 1.00 0.00 H new ATOM 0 HB THR B 27 -15.207 -10.921 -11.908 1.00 0.00 H new ATOM 0 HG1 THR B 27 -14.936 -12.758 -13.382 1.00 0.00 H new ATOM 0 HG21 THR B 27 -17.027 -11.736 -13.394 1.00 0.00 H new ATOM 0 HG22 THR B 27 -17.075 -9.968 -13.194 1.00 0.00 H new ATOM 0 HG23 THR B 27 -16.425 -10.677 -14.692 1.00 0.00 H new ATOM 731 N PRO B 28 -14.901 -8.069 -11.295 1.00 0.00 N ATOM 732 CA PRO B 28 -15.261 -6.782 -10.698 1.00 0.00 C ATOM 733 C PRO B 28 -14.227 -5.698 -11.059 1.00 0.00 C ATOM 734 O PRO B 28 -13.038 -5.820 -10.742 1.00 0.00 O ATOM 735 CB PRO B 28 -15.342 -7.039 -9.189 1.00 0.00 C ATOM 736 CG PRO B 28 -14.362 -8.192 -8.969 1.00 0.00 C ATOM 737 CD PRO B 28 -14.502 -9.008 -10.253 1.00 0.00 C ATOM 0 HA PRO B 28 -16.212 -6.404 -11.075 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -15.058 -6.156 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.353 -7.307 -8.881 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -13.342 -7.834 -8.827 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -14.620 -8.779 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -13.561 -9.495 -10.508 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -15.246 -9.795 -10.134 1.00 0.00 H new ATOM 745 N LYS B 29 -14.690 -4.621 -11.707 1.00 0.00 N ATOM 746 CA LYS B 29 -13.881 -3.443 -12.091 1.00 0.00 C ATOM 747 C LYS B 29 -14.720 -2.156 -12.125 1.00 0.00 C ATOM 748 O LYS B 29 -14.310 -1.152 -11.540 1.00 0.00 O ATOM 749 CB LYS B 29 -13.203 -3.721 -13.452 1.00 0.00 C ATOM 750 CG LYS B 29 -12.327 -2.576 -13.996 1.00 0.00 C ATOM 751 CD LYS B 29 -11.092 -2.272 -13.130 1.00 0.00 C ATOM 752 CE LYS B 29 -10.334 -1.020 -13.601 1.00 0.00 C ATOM 753 NZ LYS B 29 -9.736 -1.178 -14.954 1.00 0.00 N1+ ATOM 0 H LYS B 29 -15.666 -4.537 -11.990 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.112 -3.280 -11.335 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.586 -4.615 -13.356 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.977 -3.945 -14.186 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.999 -2.830 -15.004 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.934 -1.674 -14.076 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.404 -2.136 -12.094 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.419 -3.129 -13.150 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -11.016 -0.170 -13.608 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -9.545 -0.789 -12.886 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -9.327 -0.272 -15.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -8.990 -1.902 -14.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.473 -1.470 -15.627 1.00 0.00 H new ATOM 767 N THR B 30 -15.898 -2.222 -12.759 1.00 0.00 N ATOM 768 CA THR B 30 -16.952 -1.180 -12.827 1.00 0.00 C ATOM 769 C THR B 30 -16.425 0.201 -13.251 1.00 0.00 C ATOM 770 O THR B 30 -16.309 1.128 -12.415 1.00 0.00 O ATOM 771 CB THR B 30 -17.789 -1.152 -11.535 1.00 0.00 C ATOM 772 OG1 THR B 30 -18.121 -2.478 -11.164 1.00 0.00 O ATOM 773 CG2 THR B 30 -19.113 -0.400 -11.715 1.00 0.00 C ATOM 774 OXT THR B 30 -16.131 0.356 -14.458 1.00 0.00 O1- ATOM 0 H THR B 30 -16.166 -3.059 -13.276 1.00 0.00 H new ATOM 0 HA THR B 30 -17.627 -1.464 -13.634 1.00 0.00 H new ATOM 0 HB THR B 30 -17.186 -0.648 -10.780 1.00 0.00 H new ATOM 0 HG1 THR B 30 -18.652 -2.464 -10.341 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.667 -0.408 -10.776 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.909 0.630 -12.007 1.00 0.00 H new ATOM 0 HG23 THR B 30 -19.705 -0.887 -12.490 1.00 0.00 H new TER 782 THR B 30