USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.739 X(o=1.4,f=1.2) USER MOD Set 1.2: A 19 TYR OH : rot 180:sc= 0.648 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0.666 (180deg=0.582) USER MOD Single : A 8 THR OG1 : rot -54:sc= 1.19 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.122 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.138 K(o=0.14,f=-4.5!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : B 1 PHE N :NH3+ -114:sc= 0.0849 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=0.000312 K(o=0.00031,f=-1.3) USER MOD Single : B 4 GLN : amide:sc= 0.541 K(o=0.54,f=-0.16) USER MOD Single : B 5 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.14) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=-0.049) USER MOD Single : B 16 TYR OH : rot 16:sc= 0.628 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0.00502 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc=0.000614 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.467 -5.000 5.653 1.00 0.00 N ATOM 2 CA GLY A 1 11.415 -4.480 4.270 1.00 0.00 C ATOM 3 C GLY A 1 11.280 -5.601 3.255 1.00 0.00 C ATOM 4 O GLY A 1 12.279 -5.983 2.650 1.00 0.00 O ATOM 0 H1 GLY A 1 11.508 -4.205 6.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.617 -5.568 5.842 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.313 -5.594 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.573 -3.795 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.319 -3.907 4.062 1.00 0.00 H new ATOM 10 N ILE A 2 10.060 -6.101 3.034 1.00 0.00 N ATOM 11 CA ILE A 2 9.714 -7.278 2.205 1.00 0.00 C ATOM 12 C ILE A 2 10.348 -7.281 0.802 1.00 0.00 C ATOM 13 O ILE A 2 10.803 -8.325 0.332 1.00 0.00 O ATOM 14 CB ILE A 2 8.168 -7.416 2.131 1.00 0.00 C ATOM 15 CG1 ILE A 2 7.657 -8.594 1.271 1.00 0.00 C ATOM 16 CG2 ILE A 2 7.465 -6.144 1.619 1.00 0.00 C ATOM 17 CD1 ILE A 2 8.119 -9.964 1.771 1.00 0.00 C ATOM 0 H ILE A 2 9.232 -5.675 3.451 1.00 0.00 H new ATOM 0 HA ILE A 2 10.146 -8.149 2.698 1.00 0.00 H new ATOM 0 HB ILE A 2 7.910 -7.604 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 2 6.567 -8.572 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.997 -8.458 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.388 -6.309 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.688 -5.311 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.821 -5.910 0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.722 -10.742 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.208 -10.005 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.756 -10.122 2.787 1.00 0.00 H new ATOM 29 N VAL A 3 10.413 -6.118 0.146 1.00 0.00 N ATOM 30 CA VAL A 3 11.021 -5.952 -1.191 1.00 0.00 C ATOM 31 C VAL A 3 12.420 -5.331 -1.129 1.00 0.00 C ATOM 32 O VAL A 3 13.329 -5.761 -1.840 1.00 0.00 O ATOM 33 CB VAL A 3 10.053 -5.216 -2.143 1.00 0.00 C ATOM 34 CG1 VAL A 3 9.725 -3.780 -1.718 1.00 0.00 C ATOM 35 CG2 VAL A 3 10.570 -5.194 -3.585 1.00 0.00 C ATOM 0 H VAL A 3 10.041 -5.249 0.529 1.00 0.00 H new ATOM 0 HA VAL A 3 11.182 -6.943 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 3 9.133 -5.798 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.040 -3.335 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.259 -3.790 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.643 -3.193 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.857 -4.666 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.533 -4.684 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.688 -6.216 -3.945 1.00 0.00 H new ATOM 45 N GLU A 4 12.640 -4.340 -0.259 1.00 0.00 N ATOM 46 CA GLU A 4 13.873 -3.546 -0.285 1.00 0.00 C ATOM 47 C GLU A 4 15.082 -4.239 0.350 1.00 0.00 C ATOM 48 O GLU A 4 16.208 -3.994 -0.084 1.00 0.00 O ATOM 49 CB GLU A 4 13.649 -2.175 0.377 1.00 0.00 C ATOM 50 CG GLU A 4 12.581 -1.328 -0.328 1.00 0.00 C ATOM 51 CD GLU A 4 12.537 0.099 0.253 1.00 0.00 C ATOM 52 OE1 GLU A 4 11.985 0.292 1.362 1.00 0.00 O ATOM 53 OE2 GLU A 4 13.053 1.043 -0.394 1.00 0.00 O ATOM 0 H GLU A 4 11.981 -4.069 0.471 1.00 0.00 H new ATOM 0 HA GLU A 4 14.114 -3.420 -1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.357 -2.325 1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.590 -1.626 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.794 -1.283 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.605 -1.800 -0.217 1.00 0.00 H new ATOM 60 N GLN A 5 14.884 -5.136 1.321 1.00 0.00 N ATOM 61 CA GLN A 5 15.984 -5.813 2.025 1.00 0.00 C ATOM 62 C GLN A 5 16.790 -6.763 1.112 1.00 0.00 C ATOM 63 O GLN A 5 17.946 -7.049 1.417 1.00 0.00 O ATOM 64 CB GLN A 5 15.408 -6.510 3.271 1.00 0.00 C ATOM 65 CG GLN A 5 16.442 -7.266 4.119 1.00 0.00 C ATOM 66 CD GLN A 5 15.865 -7.695 5.468 1.00 0.00 C ATOM 67 OE1 GLN A 5 16.199 -7.161 6.518 1.00 0.00 O ATOM 68 NE2 GLN A 5 14.970 -8.655 5.499 1.00 0.00 N ATOM 0 H GLN A 5 13.957 -5.415 1.643 1.00 0.00 H new ATOM 0 HA GLN A 5 16.717 -5.071 2.343 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.922 -5.762 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.636 -7.211 2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.786 -8.145 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.313 -6.631 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.680 -9.110 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.564 -8.945 6.389 1.00 0.00 H new ATOM 77 N CYS A 6 16.216 -7.197 -0.017 1.00 0.00 N ATOM 78 CA CYS A 6 16.911 -7.935 -1.083 1.00 0.00 C ATOM 79 C CYS A 6 17.261 -7.082 -2.319 1.00 0.00 C ATOM 80 O CYS A 6 18.180 -7.427 -3.067 1.00 0.00 O ATOM 81 CB CYS A 6 16.019 -9.099 -1.513 1.00 0.00 C ATOM 82 SG CYS A 6 15.848 -10.473 -0.342 1.00 0.00 S ATOM 0 H CYS A 6 15.229 -7.041 -0.221 1.00 0.00 H new ATOM 0 HA CYS A 6 17.863 -8.272 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.024 -8.705 -1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.408 -9.497 -2.450 1.00 0.00 H new ATOM 87 N CYS A 7 16.528 -5.989 -2.565 1.00 0.00 N ATOM 88 CA CYS A 7 16.677 -5.163 -3.772 1.00 0.00 C ATOM 89 C CYS A 7 17.688 -4.008 -3.595 1.00 0.00 C ATOM 90 O CYS A 7 18.364 -3.629 -4.552 1.00 0.00 O ATOM 91 CB CYS A 7 15.281 -4.675 -4.186 1.00 0.00 C ATOM 92 SG CYS A 7 15.199 -3.724 -5.729 1.00 0.00 S ATOM 0 H CYS A 7 15.808 -5.649 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 7 17.105 -5.768 -4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 7 14.628 -5.542 -4.281 1.00 0.00 H new ATOM 0 HB3 CYS A 7 14.879 -4.060 -3.381 1.00 0.00 H new ATOM 97 N THR A 8 17.829 -3.473 -2.376 1.00 0.00 N ATOM 98 CA THR A 8 18.772 -2.386 -2.025 1.00 0.00 C ATOM 99 C THR A 8 20.002 -2.870 -1.236 1.00 0.00 C ATOM 100 O THR A 8 21.020 -2.177 -1.185 1.00 0.00 O ATOM 101 CB THR A 8 18.073 -1.261 -1.236 1.00 0.00 C ATOM 102 OG1 THR A 8 17.723 -1.672 0.066 1.00 0.00 O ATOM 103 CG2 THR A 8 16.811 -0.738 -1.926 1.00 0.00 C ATOM 0 H THR A 8 17.277 -3.789 -1.578 1.00 0.00 H new ATOM 0 HA THR A 8 19.125 -1.999 -2.981 1.00 0.00 H new ATOM 0 HB THR A 8 18.807 -0.456 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.187 -2.491 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.366 0.052 -1.321 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.071 -0.340 -2.907 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.096 -1.552 -2.042 1.00 0.00 H new ATOM 111 N SER A 9 19.917 -4.066 -0.645 1.00 0.00 N ATOM 112 CA SER A 9 20.960 -4.739 0.143 1.00 0.00 C ATOM 113 C SER A 9 20.988 -6.241 -0.169 1.00 0.00 C ATOM 114 O SER A 9 20.017 -6.786 -0.697 1.00 0.00 O ATOM 115 CB SER A 9 20.702 -4.553 1.647 1.00 0.00 C ATOM 116 OG SER A 9 20.787 -3.186 2.026 1.00 0.00 O ATOM 0 H SER A 9 19.067 -4.626 -0.707 1.00 0.00 H new ATOM 0 HA SER A 9 21.918 -4.293 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 9 19.715 -4.940 1.898 1.00 0.00 H new ATOM 0 HB3 SER A 9 21.427 -5.135 2.216 1.00 0.00 H new ATOM 0 HG SER A 9 20.616 -3.102 2.987 1.00 0.00 H new ATOM 122 N ILE A 10 22.084 -6.930 0.168 1.00 0.00 N ATOM 123 CA ILE A 10 22.182 -8.393 0.026 1.00 0.00 C ATOM 124 C ILE A 10 21.315 -9.130 1.061 1.00 0.00 C ATOM 125 O ILE A 10 21.167 -8.652 2.188 1.00 0.00 O ATOM 126 CB ILE A 10 23.653 -8.876 0.051 1.00 0.00 C ATOM 127 CG1 ILE A 10 24.387 -8.499 1.361 1.00 0.00 C ATOM 128 CG2 ILE A 10 24.382 -8.354 -1.197 1.00 0.00 C ATOM 129 CD1 ILE A 10 25.828 -9.015 1.465 1.00 0.00 C ATOM 0 H ILE A 10 22.926 -6.495 0.545 1.00 0.00 H new ATOM 0 HA ILE A 10 21.782 -8.646 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 10 23.655 -9.966 0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 10 24.398 -7.413 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 10 23.816 -8.886 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 10 25.418 -8.693 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 10 23.889 -8.734 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 10 24.357 -7.264 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 10 26.259 -8.701 2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 10 25.830 -10.103 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.420 -8.607 0.646 1.00 0.00 H new ATOM 141 N CYS A 11 20.746 -10.290 0.701 1.00 0.00 N ATOM 142 CA CYS A 11 19.823 -11.038 1.571 1.00 0.00 C ATOM 143 C CYS A 11 19.968 -12.568 1.524 1.00 0.00 C ATOM 144 O CYS A 11 20.434 -13.139 0.535 1.00 0.00 O ATOM 145 CB CYS A 11 18.378 -10.645 1.255 1.00 0.00 C ATOM 146 SG CYS A 11 17.704 -11.298 -0.295 1.00 0.00 S ATOM 0 H CYS A 11 20.912 -10.737 -0.201 1.00 0.00 H new ATOM 0 HA CYS A 11 20.097 -10.755 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 11 17.743 -10.980 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.315 -9.557 1.227 1.00 0.00 H new ATOM 151 N SER A 12 19.520 -13.243 2.585 1.00 0.00 N ATOM 152 CA SER A 12 19.678 -14.691 2.775 1.00 0.00 C ATOM 153 C SER A 12 18.401 -15.515 2.565 1.00 0.00 C ATOM 154 O SER A 12 17.278 -15.003 2.583 1.00 0.00 O ATOM 155 CB SER A 12 20.250 -14.956 4.172 1.00 0.00 C ATOM 156 OG SER A 12 19.290 -14.622 5.161 1.00 0.00 O ATOM 0 H SER A 12 19.026 -12.790 3.354 1.00 0.00 H new ATOM 0 HA SER A 12 20.363 -15.024 1.995 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.531 -16.005 4.266 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.156 -14.369 4.320 1.00 0.00 H new ATOM 0 HG SER A 12 19.663 -14.796 6.051 1.00 0.00 H new ATOM 162 N LEU A 13 18.575 -16.835 2.433 1.00 0.00 N ATOM 163 CA LEU A 13 17.474 -17.811 2.447 1.00 0.00 C ATOM 164 C LEU A 13 16.711 -17.756 3.781 1.00 0.00 C ATOM 165 O LEU A 13 15.497 -17.917 3.806 1.00 0.00 O ATOM 166 CB LEU A 13 18.034 -19.227 2.222 1.00 0.00 C ATOM 167 CG LEU A 13 18.462 -19.555 0.779 1.00 0.00 C ATOM 168 CD1 LEU A 13 19.721 -18.818 0.314 1.00 0.00 C ATOM 169 CD2 LEU A 13 18.738 -21.056 0.664 1.00 0.00 C ATOM 0 H LEU A 13 19.493 -17.262 2.312 1.00 0.00 H new ATOM 0 HA LEU A 13 16.780 -17.562 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 13 18.894 -19.366 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.279 -19.950 2.530 1.00 0.00 H new ATOM 0 HG LEU A 13 17.638 -19.229 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.953 -19.105 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 13 19.551 -17.742 0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 20.557 -19.081 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 13 19.041 -21.293 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 13 19.535 -21.333 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 13 17.834 -21.612 0.912 1.00 0.00 H new ATOM 181 N TYR A 14 17.401 -17.463 4.887 1.00 0.00 N ATOM 182 CA TYR A 14 16.788 -17.296 6.208 1.00 0.00 C ATOM 183 C TYR A 14 15.868 -16.063 6.279 1.00 0.00 C ATOM 184 O TYR A 14 14.816 -16.109 6.917 1.00 0.00 O ATOM 185 CB TYR A 14 17.888 -17.237 7.282 1.00 0.00 C ATOM 186 CG TYR A 14 18.907 -18.361 7.191 1.00 0.00 C ATOM 187 CD1 TYR A 14 18.515 -19.692 7.439 1.00 0.00 C ATOM 188 CD2 TYR A 14 20.239 -18.080 6.828 1.00 0.00 C ATOM 189 CE1 TYR A 14 19.448 -20.739 7.321 1.00 0.00 C ATOM 190 CE2 TYR A 14 21.173 -19.125 6.709 1.00 0.00 C ATOM 191 CZ TYR A 14 20.782 -20.459 6.953 1.00 0.00 C ATOM 192 OH TYR A 14 21.695 -21.463 6.834 1.00 0.00 O ATOM 0 H TYR A 14 18.413 -17.334 4.890 1.00 0.00 H new ATOM 0 HA TYR A 14 16.150 -18.160 6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 14 18.408 -16.282 7.202 1.00 0.00 H new ATOM 0 HB3 TYR A 14 17.421 -17.264 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 14 17.495 -19.909 7.721 1.00 0.00 H new ATOM 0 HD2 TYR A 14 20.543 -17.061 6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.143 -21.757 7.512 1.00 0.00 H new ATOM 0 HE2 TYR A 14 22.193 -18.906 6.430 1.00 0.00 H new ATOM 0 HH TYR A 14 22.562 -21.088 6.572 1.00 0.00 H new ATOM 202 N GLN A 15 16.206 -14.980 5.567 1.00 0.00 N ATOM 203 CA GLN A 15 15.329 -13.808 5.399 1.00 0.00 C ATOM 204 C GLN A 15 14.160 -14.094 4.440 1.00 0.00 C ATOM 205 O GLN A 15 13.037 -13.672 4.709 1.00 0.00 O ATOM 206 CB GLN A 15 16.162 -12.605 4.934 1.00 0.00 C ATOM 207 CG GLN A 15 17.042 -12.075 6.081 1.00 0.00 C ATOM 208 CD GLN A 15 18.070 -11.046 5.621 1.00 0.00 C ATOM 209 OE1 GLN A 15 18.534 -11.043 4.493 1.00 0.00 O ATOM 210 NE2 GLN A 15 18.492 -10.146 6.482 1.00 0.00 N ATOM 0 H GLN A 15 17.101 -14.889 5.087 1.00 0.00 H new ATOM 0 HA GLN A 15 14.880 -13.573 6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 15 16.790 -12.895 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 15 15.501 -11.814 4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 15 16.404 -11.627 6.843 1.00 0.00 H new ATOM 0 HG3 GLN A 15 17.559 -12.912 6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 15 18.116 -10.132 7.430 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.195 -9.462 6.202 1.00 0.00 H new ATOM 219 N LEU A 16 14.373 -14.887 3.384 1.00 0.00 N ATOM 220 CA LEU A 16 13.285 -15.367 2.518 1.00 0.00 C ATOM 221 C LEU A 16 12.307 -16.287 3.284 1.00 0.00 C ATOM 222 O LEU A 16 11.092 -16.169 3.121 1.00 0.00 O ATOM 223 CB LEU A 16 13.880 -16.047 1.271 1.00 0.00 C ATOM 224 CG LEU A 16 14.615 -15.102 0.293 1.00 0.00 C ATOM 225 CD1 LEU A 16 15.379 -15.914 -0.755 1.00 0.00 C ATOM 226 CD2 LEU A 16 13.660 -14.181 -0.460 1.00 0.00 C ATOM 0 H LEU A 16 15.298 -15.214 3.105 1.00 0.00 H new ATOM 0 HA LEU A 16 12.692 -14.514 2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.576 -16.820 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.076 -16.548 0.732 1.00 0.00 H new ATOM 0 HG LEU A 16 15.288 -14.500 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.892 -15.236 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.111 -16.552 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.679 -16.533 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.228 -13.539 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.957 -14.780 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.111 -13.565 0.252 1.00 0.00 H new ATOM 238 N GLU A 17 12.798 -17.133 4.198 1.00 0.00 N ATOM 239 CA GLU A 17 11.954 -17.892 5.133 1.00 0.00 C ATOM 240 C GLU A 17 11.242 -17.000 6.163 1.00 0.00 C ATOM 241 O GLU A 17 10.135 -17.330 6.587 1.00 0.00 O ATOM 242 CB GLU A 17 12.753 -18.971 5.880 1.00 0.00 C ATOM 243 CG GLU A 17 13.085 -20.192 5.017 1.00 0.00 C ATOM 244 CD GLU A 17 13.320 -21.435 5.892 1.00 0.00 C ATOM 245 OE1 GLU A 17 14.460 -21.655 6.368 1.00 0.00 O ATOM 246 OE2 GLU A 17 12.347 -22.202 6.095 1.00 0.00 O ATOM 0 H GLU A 17 13.796 -17.312 4.311 1.00 0.00 H new ATOM 0 HA GLU A 17 11.197 -18.365 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.681 -18.534 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.184 -19.296 6.751 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.269 -20.382 4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.974 -19.989 4.420 1.00 0.00 H new ATOM 253 N ASN A 18 11.813 -15.853 6.542 1.00 0.00 N ATOM 254 CA ASN A 18 11.160 -14.892 7.437 1.00 0.00 C ATOM 255 C ASN A 18 9.958 -14.198 6.759 1.00 0.00 C ATOM 256 O ASN A 18 8.949 -13.938 7.418 1.00 0.00 O ATOM 257 CB ASN A 18 12.206 -13.902 7.973 1.00 0.00 C ATOM 258 CG ASN A 18 11.617 -12.945 8.997 1.00 0.00 C ATOM 259 OD1 ASN A 18 11.360 -13.301 10.138 1.00 0.00 O ATOM 260 ND2 ASN A 18 11.372 -11.706 8.630 1.00 0.00 N ATOM 0 H ASN A 18 12.742 -15.564 6.237 1.00 0.00 H new ATOM 0 HA ASN A 18 10.737 -15.425 8.289 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.029 -14.455 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.623 -13.332 7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.969 -11.047 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.585 -11.404 7.679 1.00 0.00 H new ATOM 267 N TYR A 19 10.023 -13.970 5.442 1.00 0.00 N ATOM 268 CA TYR A 19 8.876 -13.514 4.647 1.00 0.00 C ATOM 269 C TYR A 19 7.819 -14.624 4.462 1.00 0.00 C ATOM 270 O TYR A 19 6.618 -14.352 4.470 1.00 0.00 O ATOM 271 CB TYR A 19 9.344 -13.036 3.265 1.00 0.00 C ATOM 272 CG TYR A 19 10.515 -12.070 3.194 1.00 0.00 C ATOM 273 CD1 TYR A 19 10.769 -11.121 4.209 1.00 0.00 C ATOM 274 CD2 TYR A 19 11.354 -12.120 2.065 1.00 0.00 C ATOM 275 CE1 TYR A 19 11.898 -10.281 4.119 1.00 0.00 C ATOM 276 CE2 TYR A 19 12.482 -11.286 1.972 1.00 0.00 C ATOM 277 CZ TYR A 19 12.769 -10.384 3.013 1.00 0.00 C ATOM 278 OH TYR A 19 13.894 -9.626 2.957 1.00 0.00 O ATOM 0 H TYR A 19 10.875 -14.097 4.896 1.00 0.00 H new ATOM 0 HA TYR A 19 8.416 -12.691 5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.605 -13.918 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.494 -12.565 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 19 10.100 -11.039 5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.129 -12.806 1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.096 -9.558 4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.125 -11.337 1.106 1.00 0.00 H new ATOM 0 HH TYR A 19 14.380 -9.822 2.129 1.00 0.00 H new ATOM 288 N CYS A 20 8.263 -15.879 4.316 1.00 0.00 N ATOM 289 CA CYS A 20 7.403 -17.059 4.188 1.00 0.00 C ATOM 290 C CYS A 20 6.614 -17.365 5.476 1.00 0.00 C ATOM 291 O CYS A 20 5.412 -17.627 5.416 1.00 0.00 O ATOM 292 CB CYS A 20 8.294 -18.245 3.805 1.00 0.00 C ATOM 293 SG CYS A 20 7.484 -19.859 3.652 1.00 0.00 S ATOM 0 H CYS A 20 9.257 -16.106 4.283 1.00 0.00 H new ATOM 0 HA CYS A 20 6.654 -16.868 3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.776 -18.015 2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.085 -18.331 4.551 1.00 0.00 H new ATOM 298 N ASN A 21 7.279 -17.278 6.636 1.00 0.00 N ATOM 299 CA ASN A 21 6.824 -17.735 7.958 1.00 0.00 C ATOM 300 C ASN A 21 6.590 -19.268 8.058 1.00 0.00 C ATOM 301 O ASN A 21 6.427 -19.965 7.052 1.00 0.00 O ATOM 302 CB ASN A 21 5.688 -16.830 8.501 1.00 0.00 C ATOM 303 CG ASN A 21 4.342 -17.524 8.689 1.00 0.00 C ATOM 304 OD1 ASN A 21 3.867 -17.720 9.800 1.00 0.00 O ATOM 305 ND2 ASN A 21 3.686 -17.915 7.621 1.00 0.00 N ATOM 0 H ASN A 21 8.208 -16.860 6.680 1.00 0.00 H new ATOM 0 HA ASN A 21 7.651 -17.602 8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.002 -16.414 9.458 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.555 -15.991 7.818 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.784 -18.380 7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.079 -17.753 6.694 1.00 0.00 H new ATOM 312 N GLY A 22 6.591 -19.788 9.294 1.00 0.00 N ATOM 313 CA GLY A 22 6.498 -21.225 9.613 1.00 0.00 C ATOM 314 C GLY A 22 7.820 -21.968 9.418 1.00 0.00 C ATOM 315 O GLY A 22 8.696 -21.874 10.307 1.00 0.00 O ATOM 316 OXT GLY A 22 7.953 -22.657 8.385 1.00 0.00 O ATOM 0 H GLY A 22 6.659 -19.204 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.171 -21.342 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.734 -21.682 8.984 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 1 28.248 -14.096 4.743 1.00 0.00 N ATOM 322 CA PHE B 1 26.796 -13.916 4.489 1.00 0.00 C ATOM 323 C PHE B 1 26.461 -14.161 3.014 1.00 0.00 C ATOM 324 O PHE B 1 27.353 -14.170 2.161 1.00 0.00 O ATOM 325 CB PHE B 1 26.318 -12.522 4.943 1.00 0.00 C ATOM 326 CG PHE B 1 24.814 -12.351 5.061 1.00 0.00 C ATOM 327 CD1 PHE B 1 24.103 -13.014 6.077 1.00 0.00 C ATOM 328 CD2 PHE B 1 24.120 -11.517 4.159 1.00 0.00 C ATOM 329 CE1 PHE B 1 22.712 -12.846 6.193 1.00 0.00 C ATOM 330 CE2 PHE B 1 22.729 -11.351 4.274 1.00 0.00 C ATOM 331 CZ PHE B 1 22.028 -12.014 5.294 1.00 0.00 C ATOM 0 H1 PHE B 1 28.393 -14.919 5.363 1.00 0.00 H new ATOM 0 H2 PHE B 1 28.742 -14.251 3.841 1.00 0.00 H new ATOM 0 H3 PHE B 1 28.628 -13.244 5.204 1.00 0.00 H new ATOM 0 HA PHE B 1 26.261 -14.658 5.081 1.00 0.00 H new ATOM 0 HB2 PHE B 1 26.768 -12.301 5.911 1.00 0.00 H new ATOM 0 HB3 PHE B 1 26.696 -11.781 4.239 1.00 0.00 H new ATOM 0 HD1 PHE B 1 24.627 -13.655 6.771 1.00 0.00 H new ATOM 0 HD2 PHE B 1 24.660 -11.004 3.377 1.00 0.00 H new ATOM 0 HE1 PHE B 1 22.170 -13.358 6.974 1.00 0.00 H new ATOM 0 HE2 PHE B 1 22.201 -10.715 3.579 1.00 0.00 H new ATOM 0 HZ PHE B 1 20.960 -11.883 5.387 1.00 0.00 H new ATOM 343 N VAL B 2 25.177 -14.356 2.688 1.00 0.00 N ATOM 344 CA VAL B 2 24.694 -14.550 1.307 1.00 0.00 C ATOM 345 C VAL B 2 24.745 -13.219 0.543 1.00 0.00 C ATOM 346 O VAL B 2 24.185 -12.224 0.996 1.00 0.00 O ATOM 347 CB VAL B 2 23.274 -15.139 1.298 1.00 0.00 C ATOM 348 CG1 VAL B 2 22.836 -15.508 -0.125 1.00 0.00 C ATOM 349 CG2 VAL B 2 23.169 -16.423 2.139 1.00 0.00 C ATOM 0 H VAL B 2 24.431 -14.385 3.383 1.00 0.00 H new ATOM 0 HA VAL B 2 25.347 -15.264 0.805 1.00 0.00 H new ATOM 0 HB VAL B 2 22.635 -14.363 1.719 1.00 0.00 H new ATOM 0 HG11 VAL B 2 21.828 -15.922 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL B 2 22.846 -14.616 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL B 2 23.522 -16.248 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL B 2 22.147 -16.800 2.101 1.00 0.00 H new ATOM 0 HG22 VAL B 2 23.849 -17.176 1.740 1.00 0.00 H new ATOM 0 HG23 VAL B 2 23.437 -16.204 3.173 1.00 0.00 H new ATOM 359 N ASN B 3 25.412 -13.197 -0.616 1.00 0.00 N ATOM 360 CA ASN B 3 25.771 -11.975 -1.362 1.00 0.00 C ATOM 361 C ASN B 3 24.868 -11.637 -2.570 1.00 0.00 C ATOM 362 O ASN B 3 25.281 -10.892 -3.462 1.00 0.00 O ATOM 363 CB ASN B 3 27.273 -12.027 -1.710 1.00 0.00 C ATOM 364 CG ASN B 3 27.646 -13.047 -2.779 1.00 0.00 C ATOM 365 OD1 ASN B 3 26.876 -13.912 -3.172 1.00 0.00 O ATOM 366 ND2 ASN B 3 28.864 -12.993 -3.269 1.00 0.00 N ATOM 0 H ASN B 3 25.728 -14.050 -1.078 1.00 0.00 H new ATOM 0 HA ASN B 3 25.579 -11.129 -0.702 1.00 0.00 H new ATOM 0 HB2 ASN B 3 27.589 -11.039 -2.045 1.00 0.00 H new ATOM 0 HB3 ASN B 3 27.834 -12.251 -0.803 1.00 0.00 H new ATOM 0 HD21 ASN B 3 29.161 -13.670 -3.972 1.00 0.00 H new ATOM 0 HD22 ASN B 3 29.512 -12.275 -2.946 1.00 0.00 H new ATOM 373 N GLN B 4 23.649 -12.180 -2.618 1.00 0.00 N ATOM 374 CA GLN B 4 22.717 -12.013 -3.739 1.00 0.00 C ATOM 375 C GLN B 4 21.872 -10.733 -3.637 1.00 0.00 C ATOM 376 O GLN B 4 21.411 -10.361 -2.557 1.00 0.00 O ATOM 377 CB GLN B 4 21.828 -13.267 -3.875 1.00 0.00 C ATOM 378 CG GLN B 4 20.791 -13.380 -2.744 1.00 0.00 C ATOM 379 CD GLN B 4 20.065 -14.722 -2.666 1.00 0.00 C ATOM 380 OE1 GLN B 4 19.998 -15.507 -3.602 1.00 0.00 O ATOM 381 NE2 GLN B 4 19.479 -15.020 -1.527 1.00 0.00 N ATOM 0 H GLN B 4 23.274 -12.759 -1.866 1.00 0.00 H new ATOM 0 HA GLN B 4 23.315 -11.899 -4.643 1.00 0.00 H new ATOM 0 HB2 GLN B 4 21.312 -13.240 -4.835 1.00 0.00 H new ATOM 0 HB3 GLN B 4 22.458 -14.157 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN B 4 21.292 -13.199 -1.793 1.00 0.00 H new ATOM 0 HG3 GLN B 4 20.051 -12.590 -2.870 1.00 0.00 H new ATOM 0 HE21 GLN B 4 19.530 -14.371 -0.742 1.00 0.00 H new ATOM 0 HE22 GLN B 4 18.973 -15.900 -1.429 1.00 0.00 H new ATOM 390 N HIS B 5 21.612 -10.114 -4.787 1.00 0.00 N ATOM 391 CA HIS B 5 20.636 -9.039 -4.980 1.00 0.00 C ATOM 392 C HIS B 5 19.452 -9.564 -5.801 1.00 0.00 C ATOM 393 O HIS B 5 19.651 -10.202 -6.839 1.00 0.00 O ATOM 394 CB HIS B 5 21.294 -7.837 -5.680 1.00 0.00 C ATOM 395 CG HIS B 5 22.209 -7.036 -4.791 1.00 0.00 C ATOM 396 ND1 HIS B 5 23.440 -6.514 -5.123 1.00 0.00 N ATOM 397 CD2 HIS B 5 21.915 -6.601 -3.530 1.00 0.00 C ATOM 398 CE1 HIS B 5 23.877 -5.785 -4.081 1.00 0.00 C ATOM 399 NE2 HIS B 5 22.979 -5.804 -3.080 1.00 0.00 N ATOM 0 H HIS B 5 22.097 -10.358 -5.650 1.00 0.00 H new ATOM 0 HA HIS B 5 20.272 -8.705 -4.008 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.861 -8.196 -6.539 1.00 0.00 H new ATOM 0 HB3 HIS B 5 20.513 -7.182 -6.065 1.00 0.00 H new ATOM 0 HD2 HIS B 5 21.018 -6.831 -2.975 1.00 0.00 H new ATOM 0 HE1 HIS B 5 24.819 -5.257 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS B 5 23.056 -5.335 -2.178 1.00 0.00 H new ATOM 407 N LEU B 6 18.226 -9.296 -5.347 1.00 0.00 N ATOM 408 CA LEU B 6 16.975 -9.766 -5.956 1.00 0.00 C ATOM 409 C LEU B 6 15.881 -8.693 -5.846 1.00 0.00 C ATOM 410 O LEU B 6 15.658 -8.136 -4.773 1.00 0.00 O ATOM 411 CB LEU B 6 16.507 -11.048 -5.247 1.00 0.00 C ATOM 412 CG LEU B 6 17.357 -12.304 -5.484 1.00 0.00 C ATOM 413 CD1 LEU B 6 16.949 -13.367 -4.466 1.00 0.00 C ATOM 414 CD2 LEU B 6 17.169 -12.874 -6.889 1.00 0.00 C ATOM 0 H LEU B 6 18.069 -8.726 -4.516 1.00 0.00 H new ATOM 0 HA LEU B 6 17.158 -9.972 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU B 6 16.475 -10.854 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.486 -11.261 -5.563 1.00 0.00 H new ATOM 0 HG LEU B 6 18.405 -12.026 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU B 6 17.544 -14.267 -4.621 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.118 -12.989 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU B 6 15.893 -13.605 -4.592 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.791 -13.761 -7.008 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.123 -13.142 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.459 -12.126 -7.627 1.00 0.00 H new ATOM 426 N CYS B 7 15.173 -8.441 -6.945 1.00 0.00 N ATOM 427 CA CYS B 7 14.072 -7.477 -7.014 1.00 0.00 C ATOM 428 C CYS B 7 12.961 -7.975 -7.958 1.00 0.00 C ATOM 429 O CYS B 7 13.198 -8.852 -8.794 1.00 0.00 O ATOM 430 CB CYS B 7 14.644 -6.124 -7.461 1.00 0.00 C ATOM 431 SG CYS B 7 13.761 -4.679 -6.811 1.00 0.00 S ATOM 0 H CYS B 7 15.351 -8.911 -7.833 1.00 0.00 H new ATOM 0 HA CYS B 7 13.611 -7.362 -6.033 1.00 0.00 H new ATOM 0 HB2 CYS B 7 15.687 -6.065 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS B 7 14.632 -6.081 -8.550 1.00 0.00 H new ATOM 436 N GLY B 8 11.746 -7.431 -7.829 1.00 0.00 N ATOM 437 CA GLY B 8 10.603 -7.793 -8.679 1.00 0.00 C ATOM 438 C GLY B 8 10.295 -9.296 -8.667 1.00 0.00 C ATOM 439 O GLY B 8 10.351 -9.951 -7.622 1.00 0.00 O ATOM 0 H GLY B 8 11.525 -6.723 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY B 8 9.722 -7.245 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY B 8 10.805 -7.478 -9.703 1.00 0.00 H new ATOM 443 N SER B 9 9.994 -9.871 -9.834 1.00 0.00 N ATOM 444 CA SER B 9 9.670 -11.300 -9.972 1.00 0.00 C ATOM 445 C SER B 9 10.829 -12.247 -9.635 1.00 0.00 C ATOM 446 O SER B 9 10.569 -13.378 -9.222 1.00 0.00 O ATOM 447 CB SER B 9 9.134 -11.592 -11.375 1.00 0.00 C ATOM 448 OG SER B 9 10.084 -11.222 -12.366 1.00 0.00 O ATOM 0 H SER B 9 9.967 -9.359 -10.716 1.00 0.00 H new ATOM 0 HA SER B 9 8.899 -11.501 -9.228 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.901 -12.653 -11.467 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.204 -11.046 -11.535 1.00 0.00 H new ATOM 0 HG SER B 9 9.722 -11.418 -13.255 1.00 0.00 H new ATOM 454 N HIS B 10 12.091 -11.802 -9.708 1.00 0.00 N ATOM 455 CA HIS B 10 13.247 -12.599 -9.266 1.00 0.00 C ATOM 456 C HIS B 10 13.210 -12.845 -7.750 1.00 0.00 C ATOM 457 O HIS B 10 13.477 -13.952 -7.283 1.00 0.00 O ATOM 458 CB HIS B 10 14.564 -11.900 -9.641 1.00 0.00 C ATOM 459 CG HIS B 10 14.639 -11.398 -11.063 1.00 0.00 C ATOM 460 ND1 HIS B 10 14.408 -12.126 -12.213 1.00 0.00 N ATOM 461 CD2 HIS B 10 14.932 -10.118 -11.451 1.00 0.00 C ATOM 462 CE1 HIS B 10 14.557 -11.302 -13.265 1.00 0.00 C ATOM 463 NE2 HIS B 10 14.878 -10.062 -12.853 1.00 0.00 N ATOM 0 H HIS B 10 12.340 -10.883 -10.074 1.00 0.00 H new ATOM 0 HA HIS B 10 13.193 -13.561 -9.775 1.00 0.00 H new ATOM 0 HB2 HIS B 10 14.715 -11.058 -8.966 1.00 0.00 H new ATOM 0 HB3 HIS B 10 15.387 -12.595 -9.473 1.00 0.00 H new ATOM 0 HD2 HIS B 10 15.164 -9.294 -10.793 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.436 -11.595 -14.297 1.00 0.00 H new ATOM 0 HE2 HIS B 10 15.048 -9.246 -13.441 1.00 0.00 H new ATOM 471 N LEU B 11 12.821 -11.821 -6.978 1.00 0.00 N ATOM 472 CA LEU B 11 12.642 -11.913 -5.529 1.00 0.00 C ATOM 473 C LEU B 11 11.450 -12.815 -5.180 1.00 0.00 C ATOM 474 O LEU B 11 11.586 -13.686 -4.324 1.00 0.00 O ATOM 475 CB LEU B 11 12.515 -10.482 -4.966 1.00 0.00 C ATOM 476 CG LEU B 11 12.320 -10.375 -3.445 1.00 0.00 C ATOM 477 CD1 LEU B 11 13.371 -11.159 -2.666 1.00 0.00 C ATOM 478 CD2 LEU B 11 12.380 -8.908 -3.034 1.00 0.00 C ATOM 0 H LEU B 11 12.620 -10.893 -7.352 1.00 0.00 H new ATOM 0 HA LEU B 11 13.506 -12.385 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU B 11 13.411 -9.924 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU B 11 11.673 -9.993 -5.456 1.00 0.00 H new ATOM 0 HG LEU B 11 11.347 -10.805 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU B 11 13.188 -11.050 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 11 13.315 -12.213 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU B 11 14.363 -10.775 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU B 11 12.242 -8.826 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 11 13.350 -8.493 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU B 11 11.591 -8.355 -3.544 1.00 0.00 H new ATOM 490 N VAL B 12 10.316 -12.676 -5.883 1.00 0.00 N ATOM 491 CA VAL B 12 9.141 -13.551 -5.693 1.00 0.00 C ATOM 492 C VAL B 12 9.491 -15.012 -5.989 1.00 0.00 C ATOM 493 O VAL B 12 9.153 -15.881 -5.193 1.00 0.00 O ATOM 494 CB VAL B 12 7.938 -13.107 -6.557 1.00 0.00 C ATOM 495 CG1 VAL B 12 6.707 -13.996 -6.336 1.00 0.00 C ATOM 496 CG2 VAL B 12 7.524 -11.666 -6.218 1.00 0.00 C ATOM 0 H VAL B 12 10.184 -11.959 -6.596 1.00 0.00 H new ATOM 0 HA VAL B 12 8.849 -13.462 -4.647 1.00 0.00 H new ATOM 0 HB VAL B 12 8.267 -13.187 -7.593 1.00 0.00 H new ATOM 0 HG11 VAL B 12 5.888 -13.646 -6.964 1.00 0.00 H new ATOM 0 HG12 VAL B 12 6.950 -15.026 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL B 12 6.407 -13.949 -5.289 1.00 0.00 H new ATOM 0 HG21 VAL B 12 6.676 -11.376 -6.838 1.00 0.00 H new ATOM 0 HG22 VAL B 12 7.242 -11.606 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL B 12 8.360 -10.993 -6.408 1.00 0.00 H new ATOM 506 N GLU B 13 10.210 -15.300 -7.077 1.00 0.00 N ATOM 507 CA GLU B 13 10.611 -16.666 -7.448 1.00 0.00 C ATOM 508 C GLU B 13 11.591 -17.289 -6.437 1.00 0.00 C ATOM 509 O GLU B 13 11.420 -18.445 -6.052 1.00 0.00 O ATOM 510 CB GLU B 13 11.197 -16.653 -8.870 1.00 0.00 C ATOM 511 CG GLU B 13 11.507 -18.060 -9.390 1.00 0.00 C ATOM 512 CD GLU B 13 11.961 -18.017 -10.862 1.00 0.00 C ATOM 513 OE1 GLU B 13 13.176 -17.844 -11.127 1.00 0.00 O ATOM 514 OE2 GLU B 13 11.105 -18.169 -11.768 1.00 0.00 O ATOM 0 H GLU B 13 10.534 -14.589 -7.732 1.00 0.00 H new ATOM 0 HA GLU B 13 9.724 -17.300 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.493 -16.167 -9.545 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.110 -16.057 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.287 -18.514 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.622 -18.689 -9.297 1.00 0.00 H new ATOM 521 N ALA B 14 12.575 -16.527 -5.944 1.00 0.00 N ATOM 522 CA ALA B 14 13.489 -17.000 -4.899 1.00 0.00 C ATOM 523 C ALA B 14 12.738 -17.320 -3.593 1.00 0.00 C ATOM 524 O ALA B 14 12.942 -18.380 -2.999 1.00 0.00 O ATOM 525 CB ALA B 14 14.566 -15.938 -4.683 1.00 0.00 C ATOM 0 H ALA B 14 12.759 -15.573 -6.255 1.00 0.00 H new ATOM 0 HA ALA B 14 13.956 -17.932 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA B 14 15.256 -16.272 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA B 14 15.113 -15.780 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA B 14 14.098 -15.003 -4.374 1.00 0.00 H new ATOM 531 N LEU B 15 11.815 -16.443 -3.184 1.00 0.00 N ATOM 532 CA LEU B 15 10.917 -16.656 -2.047 1.00 0.00 C ATOM 533 C LEU B 15 10.034 -17.897 -2.271 1.00 0.00 C ATOM 534 O LEU B 15 9.906 -18.711 -1.366 1.00 0.00 O ATOM 535 CB LEU B 15 10.089 -15.373 -1.830 1.00 0.00 C ATOM 536 CG LEU B 15 9.678 -15.064 -0.379 1.00 0.00 C ATOM 537 CD1 LEU B 15 8.800 -13.810 -0.389 1.00 0.00 C ATOM 538 CD2 LEU B 15 8.936 -16.197 0.325 1.00 0.00 C ATOM 0 H LEU B 15 11.669 -15.545 -3.646 1.00 0.00 H new ATOM 0 HA LEU B 15 11.493 -16.854 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU B 15 10.662 -14.528 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU B 15 9.185 -15.443 -2.434 1.00 0.00 H new ATOM 0 HG LEU B 15 10.598 -14.920 0.187 1.00 0.00 H new ATOM 0 HD11 LEU B 15 8.496 -13.571 0.630 1.00 0.00 H new ATOM 0 HD12 LEU B 15 9.363 -12.975 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU B 15 7.915 -13.990 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU B 15 8.686 -15.892 1.341 1.00 0.00 H new ATOM 0 HD22 LEU B 15 8.021 -16.427 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU B 15 9.571 -17.082 0.358 1.00 0.00 H new ATOM 550 N TYR B 16 9.508 -18.111 -3.480 1.00 0.00 N ATOM 551 CA TYR B 16 8.701 -19.286 -3.839 1.00 0.00 C ATOM 552 C TYR B 16 9.468 -20.598 -3.620 1.00 0.00 C ATOM 553 O TYR B 16 8.969 -21.507 -2.952 1.00 0.00 O ATOM 554 CB TYR B 16 8.224 -19.154 -5.300 1.00 0.00 C ATOM 555 CG TYR B 16 6.919 -19.856 -5.628 1.00 0.00 C ATOM 556 CD1 TYR B 16 6.834 -21.265 -5.610 1.00 0.00 C ATOM 557 CD2 TYR B 16 5.786 -19.094 -5.986 1.00 0.00 C ATOM 558 CE1 TYR B 16 5.616 -21.903 -5.908 1.00 0.00 C ATOM 559 CE2 TYR B 16 4.566 -19.731 -6.285 1.00 0.00 C ATOM 560 CZ TYR B 16 4.472 -21.139 -6.234 1.00 0.00 C ATOM 561 OH TYR B 16 3.279 -21.740 -6.499 1.00 0.00 O ATOM 0 H TYR B 16 9.633 -17.460 -4.255 1.00 0.00 H new ATOM 0 HA TYR B 16 7.833 -19.322 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR B 16 8.115 -18.095 -5.534 1.00 0.00 H new ATOM 0 HB3 TYR B 16 9.002 -19.547 -5.955 1.00 0.00 H new ATOM 0 HD1 TYR B 16 7.706 -21.854 -5.367 1.00 0.00 H new ATOM 0 HD2 TYR B 16 5.855 -18.017 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR B 16 5.555 -22.981 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR B 16 3.702 -19.142 -6.554 1.00 0.00 H new ATOM 0 HH TYR B 16 3.299 -22.665 -6.175 1.00 0.00 H new ATOM 571 N LEU B 17 10.703 -20.681 -4.129 1.00 0.00 N ATOM 572 CA LEU B 17 11.555 -21.871 -4.009 1.00 0.00 C ATOM 573 C LEU B 17 12.045 -22.110 -2.569 1.00 0.00 C ATOM 574 O LEU B 17 12.174 -23.263 -2.153 1.00 0.00 O ATOM 575 CB LEU B 17 12.736 -21.750 -4.998 1.00 0.00 C ATOM 576 CG LEU B 17 12.515 -22.350 -6.404 1.00 0.00 C ATOM 577 CD1 LEU B 17 12.416 -23.876 -6.367 1.00 0.00 C ATOM 578 CD2 LEU B 17 11.275 -21.811 -7.124 1.00 0.00 C ATOM 0 H LEU B 17 11.144 -19.917 -4.641 1.00 0.00 H new ATOM 0 HA LEU B 17 10.956 -22.745 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU B 17 12.981 -20.694 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.606 -22.233 -4.553 1.00 0.00 H new ATOM 0 HG LEU B 17 13.397 -22.040 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU B 17 12.261 -24.255 -7.377 1.00 0.00 H new ATOM 0 HD12 LEU B 17 13.339 -24.291 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU B 17 11.578 -24.171 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.190 -22.281 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.386 -22.036 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU B 17 11.366 -20.732 -7.246 1.00 0.00 H new ATOM 590 N VAL B 18 12.273 -21.049 -1.788 1.00 0.00 N ATOM 591 CA VAL B 18 12.648 -21.140 -0.364 1.00 0.00 C ATOM 592 C VAL B 18 11.445 -21.492 0.529 1.00 0.00 C ATOM 593 O VAL B 18 11.570 -22.283 1.465 1.00 0.00 O ATOM 594 CB VAL B 18 13.361 -19.842 0.081 1.00 0.00 C ATOM 595 CG1 VAL B 18 13.553 -19.789 1.597 1.00 0.00 C ATOM 596 CG2 VAL B 18 14.755 -19.764 -0.554 1.00 0.00 C ATOM 0 H VAL B 18 12.203 -20.089 -2.126 1.00 0.00 H new ATOM 0 HA VAL B 18 13.352 -21.964 -0.245 1.00 0.00 H new ATOM 0 HB VAL B 18 12.730 -19.012 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL B 18 14.057 -18.861 1.868 1.00 0.00 H new ATOM 0 HG12 VAL B 18 12.581 -19.830 2.089 1.00 0.00 H new ATOM 0 HG13 VAL B 18 14.158 -20.638 1.917 1.00 0.00 H new ATOM 0 HG21 VAL B 18 15.249 -18.847 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL B 18 15.347 -20.624 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL B 18 14.661 -19.766 -1.640 1.00 0.00 H new ATOM 606 N CYS B 19 10.263 -20.950 0.234 1.00 0.00 N ATOM 607 CA CYS B 19 9.040 -21.174 1.004 1.00 0.00 C ATOM 608 C CYS B 19 8.435 -22.565 0.751 1.00 0.00 C ATOM 609 O CYS B 19 7.861 -23.153 1.666 1.00 0.00 O ATOM 610 CB CYS B 19 8.050 -20.046 0.677 1.00 0.00 C ATOM 611 SG CYS B 19 6.643 -19.857 1.799 1.00 0.00 S ATOM 0 H CYS B 19 10.127 -20.330 -0.564 1.00 0.00 H new ATOM 0 HA CYS B 19 9.277 -21.154 2.068 1.00 0.00 H new ATOM 0 HB2 CYS B 19 8.599 -19.105 0.657 1.00 0.00 H new ATOM 0 HB3 CYS B 19 7.664 -20.211 -0.329 1.00 0.00 H new ATOM 616 N GLY B 20 8.600 -23.118 -0.453 1.00 0.00 N ATOM 617 CA GLY B 20 8.194 -24.492 -0.776 1.00 0.00 C ATOM 618 C GLY B 20 6.676 -24.705 -0.709 1.00 0.00 C ATOM 619 O GLY B 20 6.210 -25.744 -0.241 1.00 0.00 O ATOM 0 H GLY B 20 9.022 -22.623 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY B 20 8.546 -24.742 -1.777 1.00 0.00 H new ATOM 0 HA3 GLY B 20 8.682 -25.180 -0.086 1.00 0.00 H new ATOM 623 N GLU B 21 5.909 -23.692 -1.129 1.00 0.00 N ATOM 624 CA GLU B 21 4.436 -23.654 -1.108 1.00 0.00 C ATOM 625 C GLU B 21 3.784 -23.739 0.296 1.00 0.00 C ATOM 626 O GLU B 21 2.613 -24.107 0.429 1.00 0.00 O ATOM 627 CB GLU B 21 3.825 -24.619 -2.142 1.00 0.00 C ATOM 628 CG GLU B 21 4.349 -24.356 -3.564 1.00 0.00 C ATOM 629 CD GLU B 21 3.578 -25.154 -4.634 1.00 0.00 C ATOM 630 OE1 GLU B 21 3.478 -26.401 -4.526 1.00 0.00 O ATOM 631 OE2 GLU B 21 3.089 -24.537 -5.614 1.00 0.00 O ATOM 0 H GLU B 21 6.313 -22.837 -1.510 1.00 0.00 H new ATOM 0 HA GLU B 21 4.175 -22.644 -1.423 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.053 -25.646 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU B 21 2.740 -24.519 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.273 -23.291 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU B 21 5.406 -24.617 -3.612 1.00 0.00 H new ATOM 638 N ARG B 22 4.512 -23.330 1.350 1.00 0.00 N ATOM 639 CA ARG B 22 3.968 -23.118 2.715 1.00 0.00 C ATOM 640 C ARG B 22 2.928 -21.978 2.785 1.00 0.00 C ATOM 641 O ARG B 22 2.160 -21.911 3.750 1.00 0.00 O ATOM 642 CB ARG B 22 5.110 -22.850 3.720 1.00 0.00 C ATOM 643 CG ARG B 22 5.787 -24.123 4.254 1.00 0.00 C ATOM 644 CD ARG B 22 6.948 -23.789 5.212 1.00 0.00 C ATOM 645 NE ARG B 22 8.153 -23.368 4.475 1.00 0.00 N ATOM 646 CZ ARG B 22 9.335 -23.025 4.966 1.00 0.00 C ATOM 647 NH1 ARG B 22 9.598 -22.854 6.222 1.00 0.00 N ATOM 648 NH2 ARG B 22 10.366 -22.840 4.198 1.00 0.00 N ATOM 0 H ARG B 22 5.510 -23.133 1.283 1.00 0.00 H new ATOM 0 HA ARG B 22 3.450 -24.039 2.983 1.00 0.00 H new ATOM 0 HB2 ARG B 22 5.863 -22.225 3.240 1.00 0.00 H new ATOM 0 HB3 ARG B 22 4.713 -22.282 4.561 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.051 -24.737 4.773 1.00 0.00 H new ATOM 0 HG3 ARG B 22 6.162 -24.714 3.419 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.642 -22.996 5.894 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.180 -24.662 5.822 1.00 0.00 H new ATOM 0 HE ARG B 22 8.066 -23.337 3.459 1.00 0.00 H new ATOM 0 HH11 ARG B 22 8.865 -22.984 6.919 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.539 -22.589 6.515 1.00 0.00 H new ATOM 0 HH21 ARG B 22 10.278 -22.958 3.189 1.00 0.00 H new ATOM 0 HH22 ARG B 22 11.264 -22.576 4.604 1.00 0.00 H new ATOM 662 N GLY B 23 2.876 -21.113 1.768 1.00 0.00 N ATOM 663 CA GLY B 23 1.935 -19.996 1.619 1.00 0.00 C ATOM 664 C GLY B 23 2.508 -18.668 2.128 1.00 0.00 C ATOM 665 O GLY B 23 2.894 -18.558 3.296 1.00 0.00 O ATOM 0 H GLY B 23 3.524 -21.176 0.983 1.00 0.00 H new ATOM 0 HA2 GLY B 23 1.665 -19.892 0.568 1.00 0.00 H new ATOM 0 HA3 GLY B 23 1.018 -20.224 2.163 1.00 0.00 H new ATOM 669 N PHE B 24 2.576 -17.666 1.244 1.00 0.00 N ATOM 670 CA PHE B 24 3.207 -16.362 1.488 1.00 0.00 C ATOM 671 C PHE B 24 2.572 -15.240 0.638 1.00 0.00 C ATOM 672 O PHE B 24 1.910 -15.510 -0.371 1.00 0.00 O ATOM 673 CB PHE B 24 4.720 -16.483 1.244 1.00 0.00 C ATOM 674 CG PHE B 24 5.144 -16.736 -0.194 1.00 0.00 C ATOM 675 CD1 PHE B 24 5.051 -18.024 -0.758 1.00 0.00 C ATOM 676 CD2 PHE B 24 5.667 -15.680 -0.962 1.00 0.00 C ATOM 677 CE1 PHE B 24 5.478 -18.252 -2.078 1.00 0.00 C ATOM 678 CE2 PHE B 24 6.105 -15.908 -2.277 1.00 0.00 C ATOM 679 CZ PHE B 24 6.005 -17.192 -2.835 1.00 0.00 C ATOM 0 H PHE B 24 2.180 -17.742 0.307 1.00 0.00 H new ATOM 0 HA PHE B 24 3.037 -16.078 2.526 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.198 -15.565 1.587 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.104 -17.293 1.863 1.00 0.00 H new ATOM 0 HD1 PHE B 24 4.650 -18.839 -0.174 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.732 -14.689 -0.538 1.00 0.00 H new ATOM 0 HE1 PHE B 24 5.401 -19.239 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.518 -15.097 -2.858 1.00 0.00 H new ATOM 0 HZ PHE B 24 6.334 -17.366 -3.849 1.00 0.00 H new ATOM 689 N PHE B 25 2.756 -13.975 1.047 1.00 0.00 N ATOM 690 CA PHE B 25 2.031 -12.818 0.490 1.00 0.00 C ATOM 691 C PHE B 25 2.799 -12.011 -0.582 1.00 0.00 C ATOM 692 O PHE B 25 2.170 -11.459 -1.483 1.00 0.00 O ATOM 693 CB PHE B 25 1.591 -11.906 1.650 1.00 0.00 C ATOM 694 CG PHE B 25 2.706 -11.092 2.285 1.00 0.00 C ATOM 695 CD1 PHE B 25 3.565 -11.672 3.241 1.00 0.00 C ATOM 696 CD2 PHE B 25 2.905 -9.752 1.894 1.00 0.00 C ATOM 697 CE1 PHE B 25 4.636 -10.928 3.770 1.00 0.00 C ATOM 698 CE2 PHE B 25 3.973 -9.008 2.424 1.00 0.00 C ATOM 699 CZ PHE B 25 4.842 -9.599 3.356 1.00 0.00 C ATOM 0 H PHE B 25 3.418 -13.722 1.781 1.00 0.00 H new ATOM 0 HA PHE B 25 1.171 -13.221 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE B 25 0.825 -11.222 1.284 1.00 0.00 H new ATOM 0 HB3 PHE B 25 1.127 -12.522 2.420 1.00 0.00 H new ATOM 0 HD1 PHE B 25 3.401 -12.688 3.568 1.00 0.00 H new ATOM 0 HD2 PHE B 25 2.233 -9.295 1.183 1.00 0.00 H new ATOM 0 HE1 PHE B 25 5.300 -11.377 4.494 1.00 0.00 H new ATOM 0 HE2 PHE B 25 4.125 -7.984 2.115 1.00 0.00 H new ATOM 0 HZ PHE B 25 5.670 -9.032 3.756 1.00 0.00 H new ATOM 709 N TYR B 26 4.136 -11.930 -0.463 1.00 0.00 N ATOM 710 CA TYR B 26 5.124 -11.213 -1.294 1.00 0.00 C ATOM 711 C TYR B 26 4.852 -9.757 -1.749 1.00 0.00 C ATOM 712 O TYR B 26 5.687 -9.181 -2.452 1.00 0.00 O ATOM 713 CB TYR B 26 5.569 -12.111 -2.452 1.00 0.00 C ATOM 714 CG TYR B 26 4.518 -12.408 -3.505 1.00 0.00 C ATOM 715 CD1 TYR B 26 4.317 -11.523 -4.583 1.00 0.00 C ATOM 716 CD2 TYR B 26 3.728 -13.568 -3.393 1.00 0.00 C ATOM 717 CE1 TYR B 26 3.320 -11.790 -5.542 1.00 0.00 C ATOM 718 CE2 TYR B 26 2.726 -13.835 -4.343 1.00 0.00 C ATOM 719 CZ TYR B 26 2.518 -12.949 -5.423 1.00 0.00 C ATOM 720 OH TYR B 26 1.545 -13.214 -6.341 1.00 0.00 O ATOM 0 H TYR B 26 4.603 -12.418 0.301 1.00 0.00 H new ATOM 0 HA TYR B 26 5.930 -11.021 -0.586 1.00 0.00 H new ATOM 0 HB2 TYR B 26 6.423 -11.643 -2.941 1.00 0.00 H new ATOM 0 HB3 TYR B 26 5.918 -13.057 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR B 26 4.929 -10.638 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR B 26 3.892 -14.254 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR B 26 3.168 -11.110 -6.367 1.00 0.00 H new ATOM 0 HE2 TYR B 26 2.114 -14.720 -4.246 1.00 0.00 H new ATOM 0 HH TYR B 26 1.092 -14.051 -6.106 1.00 0.00 H new ATOM 730 N THR B 27 3.734 -9.132 -1.367 1.00 0.00 N ATOM 731 CA THR B 27 3.331 -7.788 -1.821 1.00 0.00 C ATOM 732 C THR B 27 4.385 -6.724 -1.461 1.00 0.00 C ATOM 733 O THR B 27 4.733 -6.611 -0.282 1.00 0.00 O ATOM 734 CB THR B 27 1.989 -7.368 -1.196 1.00 0.00 C ATOM 735 OG1 THR B 27 1.058 -8.430 -1.181 1.00 0.00 O ATOM 736 CG2 THR B 27 1.333 -6.204 -1.938 1.00 0.00 C ATOM 0 H THR B 27 3.066 -9.551 -0.720 1.00 0.00 H new ATOM 0 HA THR B 27 3.233 -7.848 -2.905 1.00 0.00 H new ATOM 0 HB THR B 27 2.239 -7.064 -0.179 1.00 0.00 H new ATOM 0 HG1 THR B 27 0.220 -8.125 -0.775 1.00 0.00 H new ATOM 0 HG21 THR B 27 0.390 -5.950 -1.454 1.00 0.00 H new ATOM 0 HG22 THR B 27 1.996 -5.339 -1.917 1.00 0.00 H new ATOM 0 HG23 THR B 27 1.144 -6.492 -2.972 1.00 0.00 H new ATOM 744 N PRO B 28 4.882 -5.912 -2.416 1.00 0.00 N ATOM 745 CA PRO B 28 5.865 -4.863 -2.145 1.00 0.00 C ATOM 746 C PRO B 28 5.219 -3.693 -1.379 1.00 0.00 C ATOM 747 O PRO B 28 4.448 -2.911 -1.944 1.00 0.00 O ATOM 748 CB PRO B 28 6.416 -4.464 -3.520 1.00 0.00 C ATOM 749 CG PRO B 28 5.258 -4.755 -4.476 1.00 0.00 C ATOM 750 CD PRO B 28 4.591 -5.976 -3.845 1.00 0.00 C ATOM 0 HA PRO B 28 6.676 -5.198 -1.498 1.00 0.00 H new ATOM 0 HB2 PRO B 28 6.702 -3.413 -3.547 1.00 0.00 H new ATOM 0 HB3 PRO B 28 7.303 -5.042 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO B 28 4.571 -3.911 -4.547 1.00 0.00 H new ATOM 0 HG3 PRO B 28 5.611 -4.965 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO B 28 3.516 -5.967 -4.023 1.00 0.00 H new ATOM 0 HD3 PRO B 28 4.978 -6.898 -4.279 1.00 0.00 H new ATOM 758 N LYS B 29 5.525 -3.582 -0.082 1.00 0.00 N ATOM 759 CA LYS B 29 4.972 -2.591 0.859 1.00 0.00 C ATOM 760 C LYS B 29 6.053 -2.017 1.778 1.00 0.00 C ATOM 761 O LYS B 29 7.109 -2.620 1.970 1.00 0.00 O ATOM 762 CB LYS B 29 3.824 -3.220 1.683 1.00 0.00 C ATOM 763 CG LYS B 29 2.631 -3.647 0.808 1.00 0.00 C ATOM 764 CD LYS B 29 1.392 -4.056 1.620 1.00 0.00 C ATOM 765 CE LYS B 29 1.635 -5.300 2.489 1.00 0.00 C ATOM 766 NZ LYS B 29 0.387 -5.724 3.177 1.00 0.00 N ATOM 0 H LYS B 29 6.195 -4.207 0.365 1.00 0.00 H new ATOM 0 HA LYS B 29 4.572 -1.761 0.276 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.203 -4.088 2.223 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.483 -2.503 2.430 1.00 0.00 H new ATOM 0 HG2 LYS B 29 2.365 -2.825 0.143 1.00 0.00 H new ATOM 0 HG3 LYS B 29 2.934 -4.482 0.177 1.00 0.00 H new ATOM 0 HD2 LYS B 29 1.091 -3.225 2.258 1.00 0.00 H new ATOM 0 HD3 LYS B 29 0.564 -4.250 0.938 1.00 0.00 H new ATOM 0 HE2 LYS B 29 2.006 -6.115 1.867 1.00 0.00 H new ATOM 0 HE3 LYS B 29 2.407 -5.086 3.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 0.579 -6.566 3.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 0.048 -4.953 3.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -0.340 -5.950 2.469 1.00 0.00 H new ATOM 780 N THR B 30 5.758 -0.870 2.392 1.00 0.00 N ATOM 781 CA THR B 30 6.639 -0.138 3.328 1.00 0.00 C ATOM 782 C THR B 30 6.407 -0.465 4.808 1.00 0.00 C ATOM 783 O THR B 30 7.041 0.127 5.686 1.00 0.00 O ATOM 784 CB THR B 30 6.536 1.379 3.088 1.00 0.00 C ATOM 785 OG1 THR B 30 5.182 1.781 3.166 1.00 0.00 O ATOM 786 CG2 THR B 30 7.056 1.779 1.705 1.00 0.00 C ATOM 0 H THR B 30 4.864 -0.399 2.251 1.00 0.00 H new ATOM 0 HA THR B 30 7.650 -0.482 3.109 1.00 0.00 H new ATOM 0 HB THR B 30 7.143 1.864 3.852 1.00 0.00 H new ATOM 0 HG1 THR B 30 5.118 2.747 3.015 1.00 0.00 H new ATOM 0 HG21 THR B 30 6.964 2.858 1.580 1.00 0.00 H new ATOM 0 HG22 THR B 30 8.103 1.491 1.613 1.00 0.00 H new ATOM 0 HG23 THR B 30 6.472 1.273 0.936 1.00 0.00 H new ATOM 794 N LYS B 31 5.518 -1.424 5.091 1.00 0.00 N ATOM 795 CA LYS B 31 4.989 -1.738 6.430 1.00 0.00 C ATOM 796 C LYS B 31 5.380 -3.137 6.956 1.00 0.00 C ATOM 797 O LYS B 31 5.038 -3.492 8.085 1.00 0.00 O ATOM 798 CB LYS B 31 3.474 -1.482 6.345 1.00 0.00 C ATOM 799 CG LYS B 31 2.783 -1.316 7.708 1.00 0.00 C ATOM 800 CD LYS B 31 1.324 -0.872 7.538 1.00 0.00 C ATOM 801 CE LYS B 31 0.667 -0.691 8.914 1.00 0.00 C ATOM 802 NZ LYS B 31 -0.748 -0.248 8.789 1.00 0.00 N ATOM 0 H LYS B 31 5.130 -2.029 4.367 1.00 0.00 H new ATOM 0 HA LYS B 31 5.442 -1.099 7.188 1.00 0.00 H new ATOM 0 HB2 LYS B 31 3.302 -0.584 5.752 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.007 -2.310 5.812 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.818 -2.259 8.254 1.00 0.00 H new ATOM 0 HG3 LYS B 31 3.323 -0.581 8.306 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.282 0.063 6.980 1.00 0.00 H new ATOM 0 HD3 LYS B 31 0.775 -1.614 6.958 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.708 -1.631 9.464 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.229 0.042 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -1.162 -0.135 9.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -0.784 0.661 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -1.289 -0.960 8.258 1.00 0.00 H new ATOM 816 N ARG B 32 6.113 -3.917 6.154 1.00 0.00 N ATOM 817 CA ARG B 32 6.677 -5.244 6.470 1.00 0.00 C ATOM 818 C ARG B 32 8.132 -5.330 6.018 1.00 0.00 C ATOM 819 O ARG B 32 8.966 -5.903 6.748 1.00 0.00 O ATOM 820 CB ARG B 32 5.835 -6.356 5.816 1.00 0.00 C ATOM 821 CG ARG B 32 4.448 -6.514 6.462 1.00 0.00 C ATOM 822 CD ARG B 32 3.698 -7.698 5.849 1.00 0.00 C ATOM 823 NE ARG B 32 2.394 -7.921 6.499 1.00 0.00 N ATOM 824 CZ ARG B 32 1.538 -8.884 6.214 1.00 0.00 C ATOM 825 NH1 ARG B 32 1.748 -9.736 5.256 1.00 0.00 N ATOM 826 NH2 ARG B 32 0.433 -8.994 6.888 1.00 0.00 N ATOM 827 OXT ARG B 32 8.448 -4.799 4.932 1.00 0.00 O ATOM 0 H ARG B 32 6.346 -3.624 5.205 1.00 0.00 H new ATOM 0 HA ARG B 32 6.648 -5.384 7.551 1.00 0.00 H new ATOM 0 HB2 ARG B 32 5.713 -6.137 4.755 1.00 0.00 H new ATOM 0 HB3 ARG B 32 6.373 -7.301 5.886 1.00 0.00 H new ATOM 0 HG2 ARG B 32 4.556 -6.663 7.536 1.00 0.00 H new ATOM 0 HG3 ARG B 32 3.870 -5.600 6.323 1.00 0.00 H new ATOM 0 HD2 ARG B 32 3.547 -7.520 4.784 1.00 0.00 H new ATOM 0 HD3 ARG B 32 4.306 -8.598 5.938 1.00 0.00 H new ATOM 0 HE ARG B 32 2.128 -7.270 7.238 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.598 -9.674 4.695 1.00 0.00 H new ATOM 0 HH12 ARG B 32 1.063 -10.467 5.065 1.00 0.00 H new ATOM 0 HH21 ARG B 32 0.226 -8.335 7.639 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -0.228 -9.739 6.666 1.00 0.00 H new TER 841 ARG B 32