USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0.923 F(o=0,f=0.92) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.093 USER MOD Single : A 9 SER OG : rot 137:sc= 0.249! 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= -0.135 K(o=-0.14,f=-1.7!) USER MOD Single : A 18 ASN : amide:sc= -0.318 K(o=-0.32,f=-3.4!) USER MOD Single : A 19 TYR OH : rot 119:sc= -0.0548 USER MOD Single : A 21 ASN : amide:sc= -3.06! C(o=-3.1!,f=-15!) USER MOD Single : B 1 PHE N :NH3+ 178:sc= -0.104 (180deg=-0.124) USER MOD Single : B 3 ASN : amide:sc= -0.532 K(o=-0.53,f=-4.6!) USER MOD Single : B 4 GLN :FLIP amide:sc= -1.4 F(o=-2.8!,f=-1.4) USER MOD Single : B 9 SER OG : rot 180:sc= -0.592 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot -36:sc= -0.0893 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.184 5.174 5.667 1.00 0.00 N ATOM 2 CA GLY A 1 -8.214 4.695 4.216 1.00 0.00 C ATOM 3 C GLY A 1 -7.070 3.903 3.681 1.00 0.00 C ATOM 4 O GLY A 1 -6.039 3.776 4.313 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.052 5.707 5.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.122 4.353 6.302 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.357 5.788 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.115 4.095 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.326 5.576 3.583 1.00 0.00 H new ATOM 10 N ILE A 2 -7.217 3.350 2.509 1.00 0.00 N ATOM 11 CA ILE A 2 -6.116 2.544 1.919 1.00 0.00 C ATOM 12 C ILE A 2 -5.287 3.415 0.981 1.00 0.00 C ATOM 13 O ILE A 2 -4.080 3.508 1.093 1.00 0.00 O ATOM 14 CB ILE A 2 -6.722 1.389 1.126 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.334 0.373 2.089 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.633 0.716 0.296 1.00 0.00 C ATOM 17 CD1 ILE A 2 -6.314 0.017 3.171 1.00 0.00 C ATOM 0 H ILE A 2 -8.056 3.423 1.934 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.476 2.160 2.713 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.499 1.771 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.235 0.785 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.633 -0.524 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.065 -0.109 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.200 1.441 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.855 0.334 0.957 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.750 -0.708 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.426 -0.412 2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.037 0.917 3.720 1.00 0.00 H new ATOM 29 N VAL A 3 -5.935 4.039 0.050 1.00 0.00 N ATOM 30 CA VAL A 3 -5.210 4.903 -0.925 1.00 0.00 C ATOM 31 C VAL A 3 -4.877 6.251 -0.289 1.00 0.00 C ATOM 32 O VAL A 3 -3.739 6.678 -0.268 1.00 0.00 O ATOM 33 CB VAL A 3 -6.090 5.128 -2.152 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.342 6.006 -3.156 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.420 3.780 -2.797 1.00 0.00 C ATOM 0 H VAL A 3 -6.945 3.991 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.284 4.409 -1.217 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.015 5.622 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.967 6.169 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.106 6.965 -2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.418 5.510 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.048 3.940 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.497 3.285 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.950 3.154 -2.080 1.00 0.00 H new ATOM 45 N GLU A 4 -5.863 6.924 0.220 1.00 0.00 N ATOM 46 CA GLU A 4 -5.618 8.252 0.850 1.00 0.00 C ATOM 47 C GLU A 4 -4.450 8.156 1.831 1.00 0.00 C ATOM 48 O GLU A 4 -3.831 9.142 2.173 1.00 0.00 O ATOM 49 CB GLU A 4 -6.871 8.705 1.602 1.00 0.00 C ATOM 50 CG GLU A 4 -8.086 8.614 0.678 1.00 0.00 C ATOM 51 CD GLU A 4 -9.125 9.657 1.097 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.741 10.797 1.300 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.284 9.297 1.208 1.00 0.00 O ATOM 0 H GLU A 4 -6.835 6.613 0.229 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.377 8.974 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.024 8.081 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.746 9.729 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.783 8.781 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.519 7.615 0.726 1.00 0.00 H new ATOM 60 N GLN A 5 -4.152 6.978 2.296 1.00 0.00 N ATOM 61 CA GLN A 5 -3.033 6.821 3.266 1.00 0.00 C ATOM 62 C GLN A 5 -1.692 6.750 2.532 1.00 0.00 C ATOM 63 O GLN A 5 -0.774 7.487 2.833 1.00 0.00 O ATOM 64 CB GLN A 5 -3.244 5.539 4.072 1.00 0.00 C ATOM 65 CG GLN A 5 -3.949 5.879 5.384 1.00 0.00 C ATOM 66 CD GLN A 5 -3.625 4.814 6.434 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.587 4.972 7.208 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 -4.327 3.828 6.552 1.00 0.00 N flip ATOM 0 H GLN A 5 -4.635 6.115 2.047 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.018 7.683 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.840 4.829 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.286 5.061 4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.630 6.860 5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.026 5.932 5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.139 3.704 5.947 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.104 3.125 7.256 1.00 0.00 H new ATOM 77 N CYS A 6 -1.557 5.865 1.581 1.00 0.00 N ATOM 78 CA CYS A 6 -0.259 5.753 0.855 1.00 0.00 C ATOM 79 C CYS A 6 -0.256 6.670 -0.374 1.00 0.00 C ATOM 80 O CYS A 6 0.750 6.824 -1.038 1.00 0.00 O ATOM 81 CB CYS A 6 -0.037 4.299 0.430 1.00 0.00 C ATOM 82 SG CYS A 6 0.684 3.365 1.805 1.00 0.00 S ATOM 0 H CYS A 6 -2.285 5.218 1.277 1.00 0.00 H new ATOM 0 HA CYS A 6 0.550 6.062 1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.983 3.849 0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.624 4.260 -0.436 1.00 0.00 H new ATOM 87 N CYS A 7 -1.361 7.295 -0.673 1.00 0.00 N ATOM 88 CA CYS A 7 -1.400 8.215 -1.851 1.00 0.00 C ATOM 89 C CYS A 7 -1.223 9.652 -1.356 1.00 0.00 C ATOM 90 O CYS A 7 -0.873 10.538 -2.109 1.00 0.00 O ATOM 91 CB CYS A 7 -2.744 8.075 -2.575 1.00 0.00 C ATOM 92 SG CYS A 7 -2.941 9.423 -3.770 1.00 0.00 S ATOM 0 H CYS A 7 -2.237 7.211 -0.157 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.600 7.962 -2.547 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.794 7.114 -3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.560 8.095 -1.853 1.00 0.00 H new ATOM 97 N THR A 8 -1.455 9.882 -0.089 1.00 0.00 N ATOM 98 CA THR A 8 -1.287 11.257 0.464 1.00 0.00 C ATOM 99 C THR A 8 0.178 11.679 0.287 1.00 0.00 C ATOM 100 O THR A 8 0.729 11.543 -0.784 1.00 0.00 O ATOM 101 CB THR A 8 -1.676 11.264 1.951 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.619 12.594 2.447 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.718 10.377 2.755 1.00 0.00 C ATOM 0 H THR A 8 -1.753 9.177 0.585 1.00 0.00 H new ATOM 0 HA THR A 8 -1.932 11.960 -0.063 1.00 0.00 H new ATOM 0 HB THR A 8 -2.689 10.874 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.868 12.601 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.005 10.391 3.806 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.767 9.355 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.300 10.754 2.652 1.00 0.00 H new ATOM 111 N SER A 9 0.818 12.189 1.308 1.00 0.00 N ATOM 112 CA SER A 9 2.244 12.603 1.161 1.00 0.00 C ATOM 113 C SER A 9 3.033 11.517 0.411 1.00 0.00 C ATOM 114 O SER A 9 2.991 11.434 -0.799 1.00 0.00 O ATOM 115 CB SER A 9 2.848 12.821 2.549 1.00 0.00 C ATOM 116 OG SER A 9 2.860 11.588 3.255 1.00 0.00 O ATOM 0 H SER A 9 0.416 12.336 2.234 1.00 0.00 H new ATOM 0 HA SER A 9 2.296 13.530 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.862 13.212 2.460 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.268 13.562 3.098 1.00 0.00 H new ATOM 0 HG SER A 9 3.717 11.485 3.719 1.00 0.00 H new ATOM 122 N ILE A 10 3.760 10.690 1.116 1.00 0.00 N ATOM 123 CA ILE A 10 4.555 9.624 0.430 1.00 0.00 C ATOM 124 C ILE A 10 4.493 8.329 1.244 1.00 0.00 C ATOM 125 O ILE A 10 4.610 8.347 2.454 1.00 0.00 O ATOM 126 CB ILE A 10 6.017 10.070 0.316 1.00 0.00 C ATOM 127 CG1 ILE A 10 6.077 11.586 0.162 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.657 9.415 -0.907 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.440 11.968 -1.167 1.00 0.00 C ATOM 0 H ILE A 10 3.839 10.705 2.133 1.00 0.00 H new ATOM 0 HA ILE A 10 4.141 9.453 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 10 6.556 9.772 1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.552 12.070 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.111 11.929 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.697 9.733 -0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.616 8.331 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.116 9.714 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.476 13.050 -1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.985 11.492 -1.982 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.402 11.636 -1.182 1.00 0.00 H new ATOM 141 N CYS A 11 4.324 7.202 0.600 1.00 0.00 N ATOM 142 CA CYS A 11 4.276 5.927 1.370 1.00 0.00 C ATOM 143 C CYS A 11 5.552 5.121 1.117 1.00 0.00 C ATOM 144 O CYS A 11 6.157 5.207 0.067 1.00 0.00 O ATOM 145 CB CYS A 11 3.059 5.081 0.962 1.00 0.00 C ATOM 146 SG CYS A 11 2.214 4.512 2.463 1.00 0.00 S ATOM 0 H CYS A 11 4.219 7.111 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 11 4.193 6.174 2.428 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.379 5.670 0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.376 4.229 0.361 1.00 0.00 H new ATOM 151 N SER A 12 5.957 4.330 2.074 1.00 0.00 N ATOM 152 CA SER A 12 7.184 3.507 1.895 1.00 0.00 C ATOM 153 C SER A 12 6.772 2.067 1.577 1.00 0.00 C ATOM 154 O SER A 12 5.894 1.514 2.202 1.00 0.00 O ATOM 155 CB SER A 12 8.011 3.535 3.183 1.00 0.00 C ATOM 156 OG SER A 12 8.245 4.885 3.562 1.00 0.00 O ATOM 0 H SER A 12 5.489 4.219 2.973 1.00 0.00 H new ATOM 0 HA SER A 12 7.784 3.907 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.484 3.008 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.959 3.018 3.032 1.00 0.00 H new ATOM 0 HG SER A 12 8.773 4.906 4.387 1.00 0.00 H new ATOM 162 N LEU A 13 7.389 1.461 0.605 1.00 0.00 N ATOM 163 CA LEU A 13 7.019 0.061 0.247 1.00 0.00 C ATOM 164 C LEU A 13 6.860 -0.772 1.510 1.00 0.00 C ATOM 165 O LEU A 13 6.064 -1.688 1.573 1.00 0.00 O ATOM 166 CB LEU A 13 8.115 -0.534 -0.634 1.00 0.00 C ATOM 167 CG LEU A 13 7.796 -0.219 -2.091 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.377 1.249 -2.220 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.033 -0.477 -2.954 1.00 0.00 C ATOM 0 H LEU A 13 8.133 1.872 0.041 1.00 0.00 H new ATOM 0 HA LEU A 13 6.073 0.060 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.086 -0.119 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.176 -1.612 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 13 6.980 -0.858 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.149 1.472 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.493 1.430 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.190 1.891 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.804 -0.251 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.851 0.159 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.327 -1.523 -2.866 1.00 0.00 H new ATOM 181 N TYR A 14 7.603 -0.449 2.517 1.00 0.00 N ATOM 182 CA TYR A 14 7.494 -1.208 3.792 1.00 0.00 C ATOM 183 C TYR A 14 6.130 -0.923 4.417 1.00 0.00 C ATOM 184 O TYR A 14 5.523 -1.779 5.030 1.00 0.00 O ATOM 185 CB TYR A 14 8.598 -0.764 4.756 1.00 0.00 C ATOM 186 CG TYR A 14 8.379 -1.418 6.101 1.00 0.00 C ATOM 187 CD1 TYR A 14 8.348 -2.815 6.202 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.202 -0.628 7.245 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.141 -3.423 7.448 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.996 -1.235 8.492 1.00 0.00 C ATOM 191 CZ TYR A 14 7.965 -2.633 8.593 1.00 0.00 C ATOM 192 OH TYR A 14 7.760 -3.230 9.820 1.00 0.00 O ATOM 0 H TYR A 14 8.285 0.309 2.519 1.00 0.00 H new ATOM 0 HA TYR A 14 7.601 -2.275 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.575 -1.039 4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.591 0.321 4.861 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.484 -3.423 5.320 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.224 0.449 7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.117 -4.500 7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.861 -0.626 9.374 1.00 0.00 H new ATOM 0 HH TYR A 14 7.658 -2.539 10.507 1.00 0.00 H new ATOM 202 N GLN A 15 5.631 0.270 4.240 1.00 0.00 N ATOM 203 CA GLN A 15 4.298 0.611 4.807 1.00 0.00 C ATOM 204 C GLN A 15 3.236 0.047 3.882 1.00 0.00 C ATOM 205 O GLN A 15 2.132 -0.265 4.284 1.00 0.00 O ATOM 206 CB GLN A 15 4.142 2.131 4.893 1.00 0.00 C ATOM 207 CG GLN A 15 5.163 2.697 5.879 1.00 0.00 C ATOM 208 CD GLN A 15 4.478 2.975 7.219 1.00 0.00 C ATOM 209 OE1 GLN A 15 3.431 2.428 7.505 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.029 3.810 8.057 1.00 0.00 N ATOM 0 H GLN A 15 6.090 1.023 3.727 1.00 0.00 H new ATOM 0 HA GLN A 15 4.198 0.191 5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.286 2.578 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.132 2.385 5.214 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.982 1.991 6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.597 3.615 5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.908 4.269 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.581 4.004 8.953 1.00 0.00 H new ATOM 219 N LEU A 16 3.575 -0.095 2.639 1.00 0.00 N ATOM 220 CA LEU A 16 2.611 -0.647 1.664 1.00 0.00 C ATOM 221 C LEU A 16 2.510 -2.158 1.869 1.00 0.00 C ATOM 222 O LEU A 16 1.542 -2.781 1.483 1.00 0.00 O ATOM 223 CB LEU A 16 3.100 -0.337 0.247 1.00 0.00 C ATOM 224 CG LEU A 16 1.971 -0.602 -0.751 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.861 0.433 -0.567 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.511 -0.508 -2.177 1.00 0.00 C ATOM 0 H LEU A 16 4.487 0.150 2.254 1.00 0.00 H new ATOM 0 HA LEU A 16 1.628 -0.199 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.422 0.702 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.965 -0.954 0.006 1.00 0.00 H new ATOM 0 HG LEU A 16 1.571 -1.601 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.060 0.239 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.467 0.368 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.263 1.432 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.704 -0.697 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.917 0.489 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.298 -1.249 -2.318 1.00 0.00 H new ATOM 238 N GLU A 17 3.495 -2.755 2.485 1.00 0.00 N ATOM 239 CA GLU A 17 3.435 -4.226 2.716 1.00 0.00 C ATOM 240 C GLU A 17 2.264 -4.533 3.644 1.00 0.00 C ATOM 241 O GLU A 17 1.734 -5.627 3.661 1.00 0.00 O ATOM 242 CB GLU A 17 4.737 -4.703 3.362 1.00 0.00 C ATOM 243 CG GLU A 17 5.219 -5.973 2.659 1.00 0.00 C ATOM 244 CD GLU A 17 6.310 -6.639 3.499 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.200 -6.602 4.713 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.235 -7.176 2.913 1.00 0.00 O ATOM 0 H GLU A 17 4.333 -2.291 2.836 1.00 0.00 H new ATOM 0 HA GLU A 17 3.301 -4.741 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.497 -3.925 3.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.579 -4.899 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.385 -6.660 2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.605 -5.729 1.669 1.00 0.00 H new ATOM 253 N ASN A 18 1.852 -3.565 4.414 1.00 0.00 N ATOM 254 CA ASN A 18 0.712 -3.783 5.346 1.00 0.00 C ATOM 255 C ASN A 18 -0.610 -3.686 4.579 1.00 0.00 C ATOM 256 O ASN A 18 -1.675 -3.683 5.163 1.00 0.00 O ATOM 257 CB ASN A 18 0.747 -2.722 6.448 1.00 0.00 C ATOM 258 CG ASN A 18 1.481 -3.283 7.667 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.799 -4.455 7.712 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.766 -2.492 8.664 1.00 0.00 N ATOM 0 H ASN A 18 2.257 -2.629 4.438 1.00 0.00 H new ATOM 0 HA ASN A 18 0.794 -4.774 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.249 -1.824 6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.267 -2.432 6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.256 -2.857 9.481 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.499 -1.508 8.627 1.00 0.00 H new ATOM 267 N TYR A 19 -0.554 -3.623 3.276 1.00 0.00 N ATOM 268 CA TYR A 19 -1.806 -3.544 2.481 1.00 0.00 C ATOM 269 C TYR A 19 -2.080 -4.919 1.881 1.00 0.00 C ATOM 270 O TYR A 19 -3.186 -5.233 1.489 1.00 0.00 O ATOM 271 CB TYR A 19 -1.644 -2.511 1.364 1.00 0.00 C ATOM 272 CG TYR A 19 -1.806 -1.104 1.930 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.809 -0.884 3.322 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.948 -0.010 1.059 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.953 0.413 3.830 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.091 1.286 1.573 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.093 1.497 2.956 1.00 0.00 C ATOM 278 OH TYR A 19 -2.232 2.775 3.459 1.00 0.00 O ATOM 0 H TYR A 19 0.308 -3.623 2.730 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.638 -3.242 3.117 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.663 -2.615 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.385 -2.686 0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.700 -1.718 3.999 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.947 -0.169 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.956 0.577 4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.200 2.124 0.900 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.487 3.331 3.149 1.00 0.00 H new ATOM 288 N CYS A 20 -1.075 -5.751 1.821 1.00 0.00 N ATOM 289 CA CYS A 20 -1.272 -7.116 1.261 1.00 0.00 C ATOM 290 C CYS A 20 -1.975 -7.983 2.307 1.00 0.00 C ATOM 291 O CYS A 20 -1.686 -7.906 3.484 1.00 0.00 O ATOM 292 CB CYS A 20 0.079 -7.752 0.914 1.00 0.00 C ATOM 293 SG CYS A 20 1.258 -6.483 0.386 1.00 0.00 S ATOM 0 H CYS A 20 -0.127 -5.543 2.136 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.874 -7.046 0.355 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.471 -8.283 1.781 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.052 -8.488 0.121 1.00 0.00 H new ATOM 298 N ASN A 21 -2.892 -8.812 1.892 1.00 0.00 N ATOM 299 CA ASN A 21 -3.600 -9.679 2.875 1.00 0.00 C ATOM 300 C ASN A 21 -2.896 -11.035 2.949 1.00 0.00 C ATOM 301 O ASN A 21 -3.539 -11.895 3.592 1.00 0.00 O ATOM 302 CB ASN A 21 -5.051 -9.878 2.435 1.00 0.00 C ATOM 303 CG ASN A 21 -5.098 -10.150 0.931 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.733 -9.306 0.137 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.538 -11.302 0.503 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.780 -11.221 2.410 1.00 0.00 O ATOM 0 H ASN A 21 -3.181 -8.927 0.920 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.585 -9.205 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.496 -10.711 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.639 -8.991 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.575 -11.494 -0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.844 -12.011 1.170 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.742 5.261 -7.905 1.00 0.00 N ATOM 315 CA PHE B 1 11.419 4.854 -7.355 1.00 0.00 C ATOM 316 C PHE B 1 11.028 5.795 -6.223 1.00 0.00 C ATOM 317 O PHE B 1 10.085 5.546 -5.497 1.00 0.00 O ATOM 318 CB PHE B 1 11.505 3.434 -6.801 1.00 0.00 C ATOM 319 CG PHE B 1 10.203 2.709 -7.060 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.692 2.631 -8.363 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.505 2.113 -5.999 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.485 1.961 -8.604 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.299 1.444 -6.242 1.00 0.00 C ATOM 324 CZ PHE B 1 7.789 1.368 -7.545 1.00 0.00 C ATOM 0 H1 PHE B 1 13.025 4.598 -8.655 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.674 6.221 -8.299 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.453 5.248 -7.146 1.00 0.00 H new ATOM 0 HA PHE B 1 10.676 4.896 -8.151 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.331 2.899 -7.270 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.711 3.462 -5.731 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.229 3.087 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.898 2.170 -4.995 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.092 1.902 -9.608 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.762 0.986 -5.425 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.859 0.852 -7.732 1.00 0.00 H new ATOM 336 N VAL B 2 11.742 6.870 -6.049 1.00 0.00 N ATOM 337 CA VAL B 2 11.393 7.797 -4.945 1.00 0.00 C ATOM 338 C VAL B 2 10.222 8.667 -5.349 1.00 0.00 C ATOM 339 O VAL B 2 9.354 8.258 -6.096 1.00 0.00 O ATOM 340 CB VAL B 2 12.594 8.658 -4.567 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.697 9.886 -5.469 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.459 9.072 -3.100 1.00 0.00 C ATOM 0 H VAL B 2 12.543 7.143 -6.618 1.00 0.00 H new ATOM 0 HA VAL B 2 11.108 7.209 -4.072 1.00 0.00 H new ATOM 0 HB VAL B 2 13.508 8.081 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.562 10.481 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.809 9.568 -6.505 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.793 10.487 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.312 9.689 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.539 9.641 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.430 8.182 -2.472 1.00 0.00 H new ATOM 352 N ASN B 3 10.167 9.847 -4.810 1.00 0.00 N ATOM 353 CA ASN B 3 9.009 10.744 -5.097 1.00 0.00 C ATOM 354 C ASN B 3 7.792 9.866 -4.929 1.00 0.00 C ATOM 355 O ASN B 3 6.810 9.942 -5.642 1.00 0.00 O ATOM 356 CB ASN B 3 9.085 11.287 -6.527 1.00 0.00 C ATOM 357 CG ASN B 3 9.945 12.552 -6.552 1.00 0.00 C ATOM 358 OD1 ASN B 3 11.005 12.593 -5.957 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.532 13.595 -7.219 1.00 0.00 N ATOM 0 H ASN B 3 10.872 10.234 -4.182 1.00 0.00 H new ATOM 0 HA ASN B 3 8.989 11.611 -4.437 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.510 10.534 -7.190 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.084 11.509 -6.896 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.098 14.443 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN B 3 8.643 13.562 -7.718 1.00 0.00 H new ATOM 366 N GLN B 4 7.929 8.974 -4.004 1.00 0.00 N ATOM 367 CA GLN B 4 6.899 7.970 -3.729 1.00 0.00 C ATOM 368 C GLN B 4 5.511 8.591 -3.560 1.00 0.00 C ATOM 369 O GLN B 4 5.334 9.685 -3.063 1.00 0.00 O ATOM 370 CB GLN B 4 7.325 7.196 -2.486 1.00 0.00 C ATOM 371 CG GLN B 4 7.994 5.888 -2.912 1.00 0.00 C ATOM 372 CD GLN B 4 8.803 5.320 -1.743 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.480 5.649 -0.522 1.00 0.00 O flip ATOM 374 NE2 GLN B 4 9.739 4.571 -1.944 1.00 0.00 N flip ATOM 0 H GLN B 4 8.751 8.903 -3.405 1.00 0.00 H new ATOM 0 HA GLN B 4 6.812 7.296 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.014 7.794 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.459 6.988 -1.858 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.239 5.168 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.646 6.063 -3.768 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.991 4.314 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.273 4.199 -1.158 1.00 0.00 H new ATOM 383 N ALA B 5 4.532 7.857 -3.990 1.00 0.00 N ATOM 384 CA ALA B 5 3.109 8.282 -3.905 1.00 0.00 C ATOM 385 C ALA B 5 2.313 7.078 -4.370 1.00 0.00 C ATOM 386 O ALA B 5 2.615 6.498 -5.394 1.00 0.00 O ATOM 387 CB ALA B 5 2.833 9.469 -4.822 1.00 0.00 C ATOM 0 H ALA B 5 4.664 6.940 -4.416 1.00 0.00 H new ATOM 0 HA ALA B 5 2.847 8.597 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA B 5 1.785 9.757 -4.739 1.00 0.00 H new ATOM 0 HB2 ALA B 5 3.465 10.308 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA B 5 3.052 9.191 -5.853 1.00 0.00 H new ATOM 393 N LEU B 6 1.356 6.641 -3.621 1.00 0.00 N ATOM 394 CA LEU B 6 0.647 5.415 -4.045 1.00 0.00 C ATOM 395 C LEU B 6 -0.810 5.675 -4.417 1.00 0.00 C ATOM 396 O LEU B 6 -1.723 5.336 -3.692 1.00 0.00 O ATOM 397 CB LEU B 6 0.738 4.411 -2.909 1.00 0.00 C ATOM 398 CG LEU B 6 1.997 3.549 -3.089 1.00 0.00 C ATOM 399 CD1 LEU B 6 1.725 2.459 -4.117 1.00 0.00 C ATOM 400 CD2 LEU B 6 3.158 4.409 -3.593 1.00 0.00 C ATOM 0 H LEU B 6 1.037 7.067 -2.751 1.00 0.00 H new ATOM 0 HA LEU B 6 1.121 5.029 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.774 4.931 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.150 3.779 -2.896 1.00 0.00 H new ATOM 0 HG LEU B 6 2.257 3.107 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.618 1.848 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU B 6 0.902 1.832 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.459 2.916 -5.070 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.045 3.787 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.891 4.855 -4.551 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.366 5.198 -2.871 1.00 0.00 H new ATOM 412 N CYS B 7 -1.028 6.241 -5.569 1.00 0.00 N ATOM 413 CA CYS B 7 -2.415 6.491 -6.033 1.00 0.00 C ATOM 414 C CYS B 7 -2.678 5.617 -7.268 1.00 0.00 C ATOM 415 O CYS B 7 -1.783 5.338 -8.046 1.00 0.00 O ATOM 416 CB CYS B 7 -2.573 7.968 -6.400 1.00 0.00 C ATOM 417 SG CYS B 7 -1.626 8.986 -5.239 1.00 0.00 S ATOM 0 H CYS B 7 -0.297 6.543 -6.213 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.127 6.246 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.224 8.140 -7.418 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.626 8.250 -6.372 1.00 0.00 H new ATOM 422 N GLY B 8 -3.890 5.174 -7.455 1.00 0.00 N ATOM 423 CA GLY B 8 -4.197 4.322 -8.642 1.00 0.00 C ATOM 424 C GLY B 8 -3.556 2.938 -8.483 1.00 0.00 C ATOM 425 O GLY B 8 -3.413 2.428 -7.389 1.00 0.00 O ATOM 0 H GLY B 8 -4.681 5.364 -6.840 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.276 4.220 -8.756 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.825 4.801 -9.548 1.00 0.00 H new ATOM 429 N SER B 9 -3.177 2.328 -9.576 1.00 0.00 N ATOM 430 CA SER B 9 -2.553 0.972 -9.510 1.00 0.00 C ATOM 431 C SER B 9 -1.183 1.053 -8.838 1.00 0.00 C ATOM 432 O SER B 9 -0.634 0.053 -8.427 1.00 0.00 O ATOM 433 CB SER B 9 -2.383 0.423 -10.927 1.00 0.00 C ATOM 434 OG SER B 9 -3.310 -0.635 -11.133 1.00 0.00 O ATOM 0 H SER B 9 -3.273 2.712 -10.516 1.00 0.00 H new ATOM 0 HA SER B 9 -3.199 0.314 -8.929 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.548 1.214 -11.658 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.364 0.063 -11.071 1.00 0.00 H new ATOM 0 HG SER B 9 -3.206 -0.989 -12.041 1.00 0.00 H new ATOM 440 N ASP B 10 -0.620 2.223 -8.718 1.00 0.00 N ATOM 441 CA ASP B 10 0.715 2.315 -8.064 1.00 0.00 C ATOM 442 C ASP B 10 0.692 1.476 -6.786 1.00 0.00 C ATOM 443 O ASP B 10 1.690 0.915 -6.383 1.00 0.00 O ATOM 444 CB ASP B 10 1.038 3.769 -7.735 1.00 0.00 C ATOM 445 CG ASP B 10 2.554 3.977 -7.764 1.00 0.00 C ATOM 446 OD1 ASP B 10 3.155 3.677 -8.783 1.00 0.00 O ATOM 447 OD2 ASP B 10 3.088 4.436 -6.768 1.00 0.00 O ATOM 0 H ASP B 10 -1.018 3.106 -9.038 1.00 0.00 H new ATOM 0 HA ASP B 10 1.485 1.938 -8.738 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.556 4.431 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP B 10 0.644 4.026 -6.752 1.00 0.00 H new ATOM 452 N LEU B 11 -0.452 1.356 -6.159 1.00 0.00 N ATOM 453 CA LEU B 11 -0.532 0.517 -4.931 1.00 0.00 C ATOM 454 C LEU B 11 -0.510 -0.936 -5.350 1.00 0.00 C ATOM 455 O LEU B 11 0.259 -1.732 -4.853 1.00 0.00 O ATOM 456 CB LEU B 11 -1.836 0.781 -4.174 1.00 0.00 C ATOM 457 CG LEU B 11 -1.835 2.182 -3.572 1.00 0.00 C ATOM 458 CD1 LEU B 11 -3.234 2.788 -3.699 1.00 0.00 C ATOM 459 CD2 LEU B 11 -1.464 2.091 -2.091 1.00 0.00 C ATOM 0 H LEU B 11 -1.325 1.800 -6.444 1.00 0.00 H new ATOM 0 HA LEU B 11 0.308 0.758 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.684 0.671 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.960 0.040 -3.384 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.113 2.807 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.237 3.790 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -3.512 2.844 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.951 2.163 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.461 3.090 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.193 1.470 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.473 1.649 -1.991 1.00 0.00 H new ATOM 471 N VAL B 12 -1.349 -1.286 -6.271 1.00 0.00 N ATOM 472 CA VAL B 12 -1.381 -2.687 -6.736 1.00 0.00 C ATOM 473 C VAL B 12 -0.059 -3.003 -7.412 1.00 0.00 C ATOM 474 O VAL B 12 0.534 -4.021 -7.169 1.00 0.00 O ATOM 475 CB VAL B 12 -2.538 -2.886 -7.715 1.00 0.00 C ATOM 476 CG1 VAL B 12 -3.746 -2.089 -7.232 1.00 0.00 C ATOM 477 CG2 VAL B 12 -2.148 -2.420 -9.123 1.00 0.00 C ATOM 0 H VAL B 12 -2.016 -0.660 -6.723 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.530 -3.357 -5.890 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.782 -3.948 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.574 -2.227 -7.927 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.040 -2.438 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.488 -1.031 -7.182 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.987 -2.572 -9.802 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.889 -1.362 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.290 -2.995 -9.472 1.00 0.00 H new ATOM 487 N GLU B 13 0.406 -2.126 -8.252 1.00 0.00 N ATOM 488 CA GLU B 13 1.699 -2.363 -8.944 1.00 0.00 C ATOM 489 C GLU B 13 2.825 -2.396 -7.911 1.00 0.00 C ATOM 490 O GLU B 13 3.742 -3.194 -7.993 1.00 0.00 O ATOM 491 CB GLU B 13 1.955 -1.220 -9.928 1.00 0.00 C ATOM 492 CG GLU B 13 1.163 -1.462 -11.214 1.00 0.00 C ATOM 493 CD GLU B 13 2.130 -1.778 -12.355 1.00 0.00 C ATOM 494 OE1 GLU B 13 2.912 -0.909 -12.701 1.00 0.00 O ATOM 495 OE2 GLU B 13 2.070 -2.885 -12.865 1.00 0.00 O ATOM 0 H GLU B 13 -0.057 -1.249 -8.491 1.00 0.00 H new ATOM 0 HA GLU B 13 1.663 -3.312 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.661 -0.270 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.019 -1.151 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.466 -2.288 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.569 -0.582 -11.459 1.00 0.00 H new ATOM 502 N ALA B 14 2.757 -1.542 -6.927 1.00 0.00 N ATOM 503 CA ALA B 14 3.828 -1.532 -5.889 1.00 0.00 C ATOM 504 C ALA B 14 3.567 -2.678 -4.926 1.00 0.00 C ATOM 505 O ALA B 14 4.472 -3.309 -4.421 1.00 0.00 O ATOM 506 CB ALA B 14 3.823 -0.199 -5.139 1.00 0.00 C ATOM 0 H ALA B 14 2.013 -0.856 -6.796 1.00 0.00 H new ATOM 0 HA ALA B 14 4.805 -1.653 -6.357 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.609 -0.203 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.000 0.615 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.856 -0.057 -4.656 1.00 0.00 H new ATOM 512 N LEU B 15 2.322 -2.966 -4.704 1.00 0.00 N ATOM 513 CA LEU B 15 1.957 -4.092 -3.812 1.00 0.00 C ATOM 514 C LEU B 15 2.264 -5.381 -4.561 1.00 0.00 C ATOM 515 O LEU B 15 2.926 -6.273 -4.070 1.00 0.00 O ATOM 516 CB LEU B 15 0.465 -4.031 -3.512 1.00 0.00 C ATOM 517 CG LEU B 15 0.195 -2.996 -2.431 1.00 0.00 C ATOM 518 CD1 LEU B 15 -1.157 -2.351 -2.693 1.00 0.00 C ATOM 519 CD2 LEU B 15 0.169 -3.683 -1.072 1.00 0.00 C ATOM 0 H LEU B 15 1.532 -2.463 -5.107 1.00 0.00 H new ATOM 0 HA LEU B 15 2.512 -4.043 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.086 -3.776 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.110 -5.009 -3.187 1.00 0.00 H new ATOM 0 HG LEU B 15 0.977 -2.237 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.360 -1.607 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.147 -1.868 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.934 -3.115 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.024 -2.944 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.618 -4.437 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.131 -4.161 -0.887 1.00 0.00 H new ATOM 531 N TYR B 16 1.796 -5.456 -5.771 1.00 0.00 N ATOM 532 CA TYR B 16 2.051 -6.650 -6.612 1.00 0.00 C ATOM 533 C TYR B 16 3.511 -7.020 -6.519 1.00 0.00 C ATOM 534 O TYR B 16 3.894 -8.161 -6.690 1.00 0.00 O ATOM 535 CB TYR B 16 1.782 -6.299 -8.067 1.00 0.00 C ATOM 536 CG TYR B 16 0.520 -6.952 -8.533 1.00 0.00 C ATOM 537 CD1 TYR B 16 0.249 -8.279 -8.193 1.00 0.00 C ATOM 538 CD2 TYR B 16 -0.375 -6.222 -9.315 1.00 0.00 C ATOM 539 CE1 TYR B 16 -0.936 -8.883 -8.641 1.00 0.00 C ATOM 540 CE2 TYR B 16 -1.558 -6.818 -9.765 1.00 0.00 C ATOM 541 CZ TYR B 16 -1.840 -8.150 -9.428 1.00 0.00 C ATOM 542 OH TYR B 16 -3.007 -8.740 -9.869 1.00 0.00 O ATOM 0 H TYR B 16 1.239 -4.728 -6.219 1.00 0.00 H new ATOM 0 HA TYR B 16 1.413 -7.466 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.703 -5.218 -8.179 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.618 -6.623 -8.687 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.948 -8.838 -7.588 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.155 -5.197 -9.573 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.152 -9.909 -8.381 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.252 -6.254 -10.370 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.519 -8.095 -10.400 1.00 0.00 H new ATOM 552 N LEU B 17 4.337 -6.049 -6.302 1.00 0.00 N ATOM 553 CA LEU B 17 5.786 -6.332 -6.261 1.00 0.00 C ATOM 554 C LEU B 17 6.226 -6.743 -4.853 1.00 0.00 C ATOM 555 O LEU B 17 7.153 -7.508 -4.680 1.00 0.00 O ATOM 556 CB LEU B 17 6.553 -5.083 -6.696 1.00 0.00 C ATOM 557 CG LEU B 17 7.122 -5.298 -8.098 1.00 0.00 C ATOM 558 CD1 LEU B 17 5.978 -5.327 -9.114 1.00 0.00 C ATOM 559 CD2 LEU B 17 8.082 -4.155 -8.443 1.00 0.00 C ATOM 0 H LEU B 17 4.074 -5.075 -6.152 1.00 0.00 H new ATOM 0 HA LEU B 17 6.000 -7.158 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.892 -4.216 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.359 -4.875 -5.993 1.00 0.00 H new ATOM 0 HG LEU B 17 7.660 -6.245 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.383 -5.480 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.296 -6.141 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.439 -4.380 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.487 -4.309 -9.443 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.545 -3.207 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.898 -4.134 -7.720 1.00 0.00 H new ATOM 571 N VAL B 18 5.581 -6.228 -3.848 1.00 0.00 N ATOM 572 CA VAL B 18 5.976 -6.577 -2.451 1.00 0.00 C ATOM 573 C VAL B 18 5.187 -7.787 -1.960 1.00 0.00 C ATOM 574 O VAL B 18 5.660 -8.559 -1.151 1.00 0.00 O ATOM 575 CB VAL B 18 5.688 -5.392 -1.531 1.00 0.00 C ATOM 576 CG1 VAL B 18 6.692 -4.280 -1.809 1.00 0.00 C ATOM 577 CG2 VAL B 18 4.281 -4.877 -1.793 1.00 0.00 C ATOM 0 H VAL B 18 4.797 -5.580 -3.929 1.00 0.00 H new ATOM 0 HA VAL B 18 7.040 -6.814 -2.438 1.00 0.00 H new ATOM 0 HB VAL B 18 5.772 -5.710 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.488 -3.433 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.702 -4.647 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.605 -3.963 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.075 -4.031 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.198 -4.559 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.561 -5.671 -1.598 1.00 0.00 H new ATOM 587 N CYS B 19 3.986 -7.960 -2.430 1.00 0.00 N ATOM 588 CA CYS B 19 3.178 -9.120 -1.969 1.00 0.00 C ATOM 589 C CYS B 19 3.167 -10.191 -3.055 1.00 0.00 C ATOM 590 O CYS B 19 3.842 -11.197 -2.960 1.00 0.00 O ATOM 591 CB CYS B 19 1.737 -8.686 -1.660 1.00 0.00 C ATOM 592 SG CYS B 19 1.601 -6.878 -1.569 1.00 0.00 S ATOM 0 H CYS B 19 3.530 -7.352 -3.110 1.00 0.00 H new ATOM 0 HA CYS B 19 3.624 -9.520 -1.058 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.067 -9.065 -2.431 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.417 -9.125 -0.715 1.00 0.00 H new ATOM 597 N GLY B 20 2.412 -9.978 -4.087 1.00 0.00 N ATOM 598 CA GLY B 20 2.358 -10.976 -5.192 1.00 0.00 C ATOM 599 C GLY B 20 1.377 -12.092 -4.841 1.00 0.00 C ATOM 600 O GLY B 20 0.178 -11.899 -4.829 1.00 0.00 O ATOM 0 H GLY B 20 1.826 -9.154 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.052 -10.489 -6.118 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.350 -11.394 -5.365 1.00 0.00 H new ATOM 604 N GLU B 21 1.877 -13.265 -4.561 1.00 0.00 N ATOM 605 CA GLU B 21 0.972 -14.398 -4.218 1.00 0.00 C ATOM 606 C GLU B 21 0.204 -14.072 -2.934 1.00 0.00 C ATOM 607 O GLU B 21 -0.728 -14.760 -2.568 1.00 0.00 O ATOM 608 CB GLU B 21 1.800 -15.669 -4.011 1.00 0.00 C ATOM 609 CG GLU B 21 2.272 -16.199 -5.367 1.00 0.00 C ATOM 610 CD GLU B 21 3.801 -16.225 -5.402 1.00 0.00 C ATOM 611 OE1 GLU B 21 4.385 -16.813 -4.506 1.00 0.00 O ATOM 612 OE2 GLU B 21 4.364 -15.659 -6.325 1.00 0.00 O ATOM 0 H GLU B 21 2.872 -13.487 -4.555 1.00 0.00 H new ATOM 0 HA GLU B 21 0.264 -14.555 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.658 -15.457 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.203 -16.425 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.877 -17.201 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.890 -15.567 -6.169 1.00 0.00 H new ATOM 619 N ARG B 22 0.583 -13.027 -2.248 1.00 0.00 N ATOM 620 CA ARG B 22 -0.133 -12.665 -0.993 1.00 0.00 C ATOM 621 C ARG B 22 -1.388 -11.859 -1.337 1.00 0.00 C ATOM 622 O ARG B 22 -2.202 -11.572 -0.483 1.00 0.00 O ATOM 623 CB ARG B 22 0.785 -11.818 -0.110 1.00 0.00 C ATOM 624 CG ARG B 22 2.090 -12.570 0.151 1.00 0.00 C ATOM 625 CD ARG B 22 2.943 -11.782 1.148 1.00 0.00 C ATOM 626 NE ARG B 22 4.317 -12.353 1.186 1.00 0.00 N ATOM 627 CZ ARG B 22 4.582 -13.359 1.971 1.00 0.00 C ATOM 628 NH1 ARG B 22 4.505 -13.215 3.266 1.00 0.00 N ATOM 629 NH2 ARG B 22 4.918 -14.511 1.462 1.00 0.00 N ATOM 0 H ARG B 22 1.355 -12.411 -2.502 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.416 -13.573 -0.461 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.995 -10.865 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.290 -11.592 0.834 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.877 -13.564 0.544 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.636 -12.707 -0.782 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.982 -10.732 0.859 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.493 -11.823 2.140 1.00 0.00 H new ATOM 0 HE ARG B 22 5.051 -11.957 0.598 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.237 -12.315 3.664 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.712 -14.003 3.880 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.973 -14.625 0.450 1.00 0.00 H new ATOM 0 HH22 ARG B 22 5.126 -15.299 2.076 1.00 0.00 H new ATOM 643 N GLY B 23 -1.548 -11.489 -2.580 1.00 0.00 N ATOM 644 CA GLY B 23 -2.750 -10.699 -2.972 1.00 0.00 C ATOM 645 C GLY B 23 -2.857 -9.463 -2.077 1.00 0.00 C ATOM 646 O GLY B 23 -2.106 -9.304 -1.135 1.00 0.00 O ATOM 0 H GLY B 23 -0.900 -11.699 -3.339 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.677 -10.400 -4.018 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.648 -11.310 -2.877 1.00 0.00 H new ATOM 650 N PHE B 24 -3.778 -8.582 -2.360 1.00 0.00 N ATOM 651 CA PHE B 24 -3.914 -7.359 -1.514 1.00 0.00 C ATOM 652 C PHE B 24 -5.388 -7.035 -1.279 1.00 0.00 C ATOM 653 O PHE B 24 -6.271 -7.798 -1.618 1.00 0.00 O ATOM 654 CB PHE B 24 -3.256 -6.156 -2.189 1.00 0.00 C ATOM 655 CG PHE B 24 -2.882 -6.473 -3.619 1.00 0.00 C ATOM 656 CD1 PHE B 24 -1.710 -7.190 -3.896 1.00 0.00 C ATOM 657 CD2 PHE B 24 -3.703 -6.038 -4.668 1.00 0.00 C ATOM 658 CE1 PHE B 24 -1.361 -7.472 -5.223 1.00 0.00 C ATOM 659 CE2 PHE B 24 -3.352 -6.319 -5.994 1.00 0.00 C ATOM 660 CZ PHE B 24 -2.181 -7.036 -6.271 1.00 0.00 C ATOM 0 H PHE B 24 -4.438 -8.654 -3.134 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.420 -7.560 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.937 -5.305 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.365 -5.865 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.077 -7.525 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -4.606 -5.486 -4.454 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.459 -8.026 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.984 -5.983 -6.803 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.910 -7.253 -7.294 1.00 0.00 H new ATOM 670 N PHE B 25 -5.655 -5.896 -0.699 1.00 0.00 N ATOM 671 CA PHE B 25 -7.061 -5.496 -0.435 1.00 0.00 C ATOM 672 C PHE B 25 -7.346 -4.174 -1.152 1.00 0.00 C ATOM 673 O PHE B 25 -8.088 -3.342 -0.669 1.00 0.00 O ATOM 674 CB PHE B 25 -7.266 -5.319 1.071 1.00 0.00 C ATOM 675 CG PHE B 25 -8.732 -5.468 1.403 1.00 0.00 C ATOM 676 CD1 PHE B 25 -9.431 -6.609 0.987 1.00 0.00 C ATOM 677 CD2 PHE B 25 -9.391 -4.466 2.128 1.00 0.00 C ATOM 678 CE1 PHE B 25 -10.791 -6.748 1.297 1.00 0.00 C ATOM 679 CE2 PHE B 25 -10.750 -4.605 2.437 1.00 0.00 C ATOM 680 CZ PHE B 25 -11.451 -5.746 2.021 1.00 0.00 C ATOM 0 H PHE B 25 -4.952 -5.222 -0.396 1.00 0.00 H new ATOM 0 HA PHE B 25 -7.740 -6.266 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.682 -6.059 1.617 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.910 -4.338 1.384 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.922 -7.381 0.428 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.851 -3.587 2.448 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.330 -7.628 0.978 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.258 -3.833 2.996 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.499 -5.853 2.258 1.00 0.00 H new ATOM 690 N TYR B 26 -6.761 -3.976 -2.303 1.00 0.00 N ATOM 691 CA TYR B 26 -6.999 -2.711 -3.057 1.00 0.00 C ATOM 692 C TYR B 26 -8.349 -2.815 -3.770 1.00 0.00 C ATOM 693 O TYR B 26 -8.520 -3.602 -4.678 1.00 0.00 O ATOM 694 CB TYR B 26 -5.886 -2.515 -4.090 1.00 0.00 C ATOM 695 CG TYR B 26 -6.161 -1.263 -4.883 1.00 0.00 C ATOM 696 CD1 TYR B 26 -6.938 -1.332 -6.045 1.00 0.00 C ATOM 697 CD2 TYR B 26 -5.647 -0.031 -4.454 1.00 0.00 C ATOM 698 CE1 TYR B 26 -7.203 -0.171 -6.783 1.00 0.00 C ATOM 699 CE2 TYR B 26 -5.912 1.132 -5.192 1.00 0.00 C ATOM 700 CZ TYR B 26 -6.689 1.062 -6.356 1.00 0.00 C ATOM 701 OH TYR B 26 -6.949 2.207 -7.082 1.00 0.00 O ATOM 0 H TYR B 26 -6.128 -4.636 -2.754 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.004 -1.862 -2.373 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.920 -2.439 -3.591 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.835 -3.377 -4.755 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.334 -2.282 -6.373 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.048 0.022 -3.557 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.802 -0.225 -7.680 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.517 2.082 -4.863 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.520 2.974 -6.648 1.00 0.00 H new ATOM 711 N THR B 27 -9.318 -2.044 -3.355 1.00 0.00 N ATOM 712 CA THR B 27 -10.660 -2.127 -4.000 1.00 0.00 C ATOM 713 C THR B 27 -11.007 -0.799 -4.678 1.00 0.00 C ATOM 714 O THR B 27 -10.206 0.110 -4.738 1.00 0.00 O ATOM 715 CB THR B 27 -11.714 -2.438 -2.934 1.00 0.00 C ATOM 716 OG1 THR B 27 -11.987 -1.262 -2.188 1.00 0.00 O ATOM 717 CG2 THR B 27 -11.197 -3.532 -1.996 1.00 0.00 C ATOM 0 H THR B 27 -9.239 -1.363 -2.600 1.00 0.00 H new ATOM 0 HA THR B 27 -10.643 -2.916 -4.752 1.00 0.00 H new ATOM 0 HB THR B 27 -12.627 -2.785 -3.418 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.663 -1.457 -1.506 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.951 -3.749 -1.240 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.988 -4.435 -2.570 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.283 -3.192 -1.510 1.00 0.00 H new ATOM 725 N LYS B 28 -12.206 -0.689 -5.187 1.00 0.00 N ATOM 726 CA LYS B 28 -12.623 0.573 -5.862 1.00 0.00 C ATOM 727 C LYS B 28 -11.806 0.766 -7.143 1.00 0.00 C ATOM 728 O LYS B 28 -10.829 1.489 -7.149 1.00 0.00 O ATOM 729 CB LYS B 28 -12.389 1.757 -4.923 1.00 0.00 C ATOM 730 CG LYS B 28 -13.355 2.889 -5.278 1.00 0.00 C ATOM 731 CD LYS B 28 -14.793 2.368 -5.238 1.00 0.00 C ATOM 732 CE LYS B 28 -15.684 3.378 -4.510 1.00 0.00 C ATOM 733 NZ LYS B 28 -16.823 2.663 -3.863 1.00 0.00 N ATOM 0 H LYS B 28 -12.916 -1.421 -5.164 1.00 0.00 H new ATOM 0 HA LYS B 28 -13.682 0.514 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.538 1.449 -3.888 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.359 2.104 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.237 3.715 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.126 3.278 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -15.161 2.207 -6.251 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.828 1.404 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.104 3.915 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -16.060 4.121 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.428 3.349 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -17.381 2.170 -4.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -16.455 1.971 -3.180 1.00 0.00 H new ATOM 747 N PRO B 29 -12.235 0.111 -8.191 1.00 0.00 N ATOM 748 CA PRO B 29 -11.566 0.184 -9.502 1.00 0.00 C ATOM 749 C PRO B 29 -11.939 1.484 -10.223 1.00 0.00 C ATOM 750 O PRO B 29 -12.752 2.254 -9.754 1.00 0.00 O ATOM 751 CB PRO B 29 -12.117 -1.029 -10.255 1.00 0.00 C ATOM 752 CG PRO B 29 -13.459 -1.392 -9.573 1.00 0.00 C ATOM 753 CD PRO B 29 -13.425 -0.764 -8.167 1.00 0.00 C ATOM 0 HA PRO B 29 -10.479 0.178 -9.427 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.267 -0.797 -11.309 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.419 -1.865 -10.209 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.302 -1.008 -10.148 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.582 -2.473 -9.511 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -14.333 -0.197 -7.962 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -13.344 -1.526 -7.392 1.00 0.00 H new ATOM 761 N THR B 30 -11.347 1.730 -11.360 1.00 0.00 N ATOM 762 CA THR B 30 -11.664 2.977 -12.113 1.00 0.00 C ATOM 763 C THR B 30 -11.459 4.188 -11.201 1.00 0.00 C ATOM 764 O THR B 30 -12.377 5.023 -10.997 1.00 0.00 O ATOM 765 CB THR B 30 -13.119 2.934 -12.587 1.00 0.00 C ATOM 766 OG1 THR B 30 -13.977 3.301 -11.515 1.00 0.00 O ATOM 767 CG2 THR B 30 -13.465 1.521 -13.056 1.00 0.00 C ATOM 768 OXT THR B 30 -10.324 4.323 -10.696 1.00 0.00 O ATOM 0 H THR B 30 -10.657 1.121 -11.800 1.00 0.00 H new ATOM 0 HA THR B 30 -11.005 3.057 -12.977 1.00 0.00 H new ATOM 0 HB THR B 30 -13.251 3.631 -13.414 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.613 2.957 -10.672 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.501 1.493 -13.393 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.808 1.240 -13.879 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.333 0.821 -12.231 1.00 0.00 H new TER 776 THR B 30