USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 380 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.27) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.299 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.221 K(o=-0.22,f=-0.89) USER MOD Single : A 18 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0139 K(o=-0.014,f=-0.58) USER MOD Single : B 1 PHE N :NH3+ -155:sc= 0.0206 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 4 GLN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -3.2! C(o=-3.2!,f=-8.6!) USER MOD Single : B 9 SER OG : rot 180:sc= 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 51:sc= 1.03 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 9:sc= 0.972 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.237 3.897 1.280 1.00 0.00 N ATOM 2 CA GLY A 1 -8.434 2.840 0.522 1.00 0.00 C ATOM 3 C GLY A 1 -7.182 2.302 1.125 1.00 0.00 C ATOM 4 O GLY A 1 -6.887 2.541 2.280 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.075 4.162 0.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.539 3.512 2.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.645 4.738 1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.098 1.995 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.175 3.260 -0.450 1.00 0.00 H new ATOM 10 N LEU A 2 -6.413 1.567 0.369 1.00 0.00 N ATOM 11 CA LEU A 2 -5.149 1.004 0.918 1.00 0.00 C ATOM 12 C LEU A 2 -3.956 1.606 0.169 1.00 0.00 C ATOM 13 O LEU A 2 -2.872 1.733 0.704 1.00 0.00 O ATOM 14 CB LEU A 2 -5.158 -0.526 0.759 1.00 0.00 C ATOM 15 CG LEU A 2 -4.674 -0.916 -0.643 1.00 0.00 C ATOM 16 CD1 LEU A 2 -3.154 -1.089 -0.624 1.00 0.00 C ATOM 17 CD2 LEU A 2 -5.330 -2.234 -1.063 1.00 0.00 C ATOM 0 H LEU A 2 -6.606 1.333 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.065 1.250 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.516 -0.981 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.165 -0.910 0.924 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.945 -0.134 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.807 -1.366 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.685 -0.152 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.886 -1.872 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.986 -2.511 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.059 -3.017 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.413 -2.114 -1.074 1.00 0.00 H new ATOM 29 N LEU A 3 -4.149 1.974 -1.068 1.00 0.00 N ATOM 30 CA LEU A 3 -3.030 2.561 -1.856 1.00 0.00 C ATOM 31 C LEU A 3 -2.910 4.053 -1.546 1.00 0.00 C ATOM 32 O LEU A 3 -2.179 4.773 -2.194 1.00 0.00 O ATOM 33 CB LEU A 3 -3.300 2.367 -3.348 1.00 0.00 C ATOM 34 CG LEU A 3 -4.551 3.152 -3.748 1.00 0.00 C ATOM 35 CD1 LEU A 3 -4.390 3.673 -5.177 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.772 2.232 -3.676 1.00 0.00 C ATOM 0 H LEU A 3 -5.035 1.893 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.099 2.062 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.443 2.706 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.436 1.308 -3.569 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.687 3.993 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.281 4.232 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.519 4.326 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.255 2.832 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.665 2.789 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.636 1.392 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.887 1.858 -2.658 1.00 0.00 H new ATOM 48 N GLU A 4 -3.620 4.524 -0.562 1.00 0.00 N ATOM 49 CA GLU A 4 -3.540 5.970 -0.215 1.00 0.00 C ATOM 50 C GLU A 4 -2.078 6.351 0.025 1.00 0.00 C ATOM 51 O GLU A 4 -1.543 7.236 -0.612 1.00 0.00 O ATOM 52 CB GLU A 4 -4.352 6.238 1.055 1.00 0.00 C ATOM 53 CG GLU A 4 -4.118 7.678 1.518 1.00 0.00 C ATOM 54 CD GLU A 4 -3.289 7.672 2.804 1.00 0.00 C ATOM 55 OE1 GLU A 4 -2.085 7.505 2.709 1.00 0.00 O ATOM 56 OE2 GLU A 4 -3.873 7.840 3.863 1.00 0.00 O ATOM 0 H GLU A 4 -4.252 3.972 0.017 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.944 6.565 -1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.412 6.075 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.060 5.541 1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.600 8.241 0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.072 8.176 1.690 1.00 0.00 H new ATOM 63 N GLN A 5 -1.426 5.685 0.938 1.00 0.00 N ATOM 64 CA GLN A 5 0.002 6.006 1.221 1.00 0.00 C ATOM 65 C GLN A 5 0.864 5.605 0.024 1.00 0.00 C ATOM 66 O GLN A 5 1.970 6.080 -0.145 1.00 0.00 O ATOM 67 CB GLN A 5 0.459 5.230 2.459 1.00 0.00 C ATOM 68 CG GLN A 5 1.351 6.125 3.323 1.00 0.00 C ATOM 69 CD GLN A 5 1.009 5.913 4.799 1.00 0.00 C ATOM 70 OE1 GLN A 5 0.057 6.475 5.303 1.00 0.00 O ATOM 71 NE2 GLN A 5 1.752 5.118 5.521 1.00 0.00 N ATOM 0 H GLN A 5 -1.821 4.932 1.501 1.00 0.00 H new ATOM 0 HA GLN A 5 0.106 7.076 1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.406 4.898 3.033 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.005 4.335 2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.401 5.891 3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.207 7.171 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.552 4.645 5.100 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.533 4.970 6.506 1.00 0.00 H new ATOM 80 N CYS A 6 0.368 4.735 -0.807 1.00 0.00 N ATOM 81 CA CYS A 6 1.161 4.300 -1.993 1.00 0.00 C ATOM 82 C CYS A 6 0.934 5.281 -3.146 1.00 0.00 C ATOM 83 O CYS A 6 1.844 5.613 -3.878 1.00 0.00 O ATOM 84 CB CYS A 6 0.724 2.897 -2.421 1.00 0.00 C ATOM 85 SG CYS A 6 0.319 1.912 -0.957 1.00 0.00 S ATOM 0 H CYS A 6 -0.552 4.305 -0.719 1.00 0.00 H new ATOM 0 HA CYS A 6 2.219 4.283 -1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.142 2.960 -3.080 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.521 2.414 -2.987 1.00 0.00 H new ATOM 90 N CYS A 7 -0.272 5.751 -3.311 1.00 0.00 N ATOM 91 CA CYS A 7 -0.552 6.714 -4.412 1.00 0.00 C ATOM 92 C CYS A 7 -0.401 8.138 -3.877 1.00 0.00 C ATOM 93 O CYS A 7 0.169 8.997 -4.520 1.00 0.00 O ATOM 94 CB CYS A 7 -1.977 6.503 -4.927 1.00 0.00 C ATOM 95 SG CYS A 7 -2.044 6.888 -6.694 1.00 0.00 S ATOM 0 H CYS A 7 -1.075 5.509 -2.731 1.00 0.00 H new ATOM 0 HA CYS A 7 0.149 6.554 -5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.288 5.472 -4.757 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.671 7.140 -4.379 1.00 0.00 H new ATOM 100 N HIS A 8 -0.901 8.393 -2.698 1.00 0.00 N ATOM 101 CA HIS A 8 -0.776 9.759 -2.115 1.00 0.00 C ATOM 102 C HIS A 8 0.663 9.971 -1.638 1.00 0.00 C ATOM 103 O HIS A 8 1.048 11.059 -1.257 1.00 0.00 O ATOM 104 CB HIS A 8 -1.735 9.903 -0.931 1.00 0.00 C ATOM 105 CG HIS A 8 -1.740 11.332 -0.463 1.00 0.00 C ATOM 106 ND1 HIS A 8 -2.087 12.363 -1.309 1.00 0.00 N ATOM 107 CD2 HIS A 8 -1.441 11.881 0.753 1.00 0.00 C ATOM 108 CE1 HIS A 8 -1.991 13.493 -0.594 1.00 0.00 C ATOM 109 NE2 HIS A 8 -1.599 13.248 0.673 1.00 0.00 N ATOM 0 H HIS A 8 -1.390 7.715 -2.114 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.026 10.504 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.740 9.601 -1.225 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -1.429 9.244 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.132 11.334 1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.202 14.478 -0.984 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.451 13.931 1.416 1.00 0.00 H new ATOM 117 N SER A 9 1.460 8.936 -1.656 1.00 0.00 N ATOM 118 CA SER A 9 2.873 9.069 -1.207 1.00 0.00 C ATOM 119 C SER A 9 3.663 7.844 -1.676 1.00 0.00 C ATOM 120 O SER A 9 3.346 7.238 -2.680 1.00 0.00 O ATOM 121 CB SER A 9 2.917 9.154 0.319 1.00 0.00 C ATOM 122 OG SER A 9 3.769 10.223 0.706 1.00 0.00 O ATOM 0 H SER A 9 1.190 8.002 -1.964 1.00 0.00 H new ATOM 0 HA SER A 9 3.312 9.973 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.914 9.312 0.715 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.280 8.215 0.737 1.00 0.00 H new ATOM 0 HG SER A 9 3.798 10.281 1.684 1.00 0.00 H new ATOM 128 N ILE A 10 4.686 7.470 -0.958 1.00 0.00 N ATOM 129 CA ILE A 10 5.485 6.283 -1.369 1.00 0.00 C ATOM 130 C ILE A 10 5.081 5.078 -0.517 1.00 0.00 C ATOM 131 O ILE A 10 4.880 5.190 0.677 1.00 0.00 O ATOM 132 CB ILE A 10 6.974 6.575 -1.175 1.00 0.00 C ATOM 133 CG1 ILE A 10 7.446 7.547 -2.258 1.00 0.00 C ATOM 134 CG2 ILE A 10 7.771 5.273 -1.280 1.00 0.00 C ATOM 135 CD1 ILE A 10 7.345 8.981 -1.737 1.00 0.00 C ATOM 0 H ILE A 10 5.002 7.934 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 10 5.296 6.063 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 10 7.131 7.018 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.475 7.323 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.838 7.431 -3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.831 5.483 -1.142 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.435 4.578 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.615 4.829 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.681 9.673 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.310 9.202 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.972 9.092 -0.852 1.00 0.00 H new ATOM 147 N CYS A 11 4.957 3.927 -1.119 1.00 0.00 N ATOM 148 CA CYS A 11 4.563 2.718 -0.344 1.00 0.00 C ATOM 149 C CYS A 11 5.717 1.715 -0.338 1.00 0.00 C ATOM 150 O CYS A 11 6.644 1.815 -1.115 1.00 0.00 O ATOM 151 CB CYS A 11 3.338 2.072 -0.991 1.00 0.00 C ATOM 152 SG CYS A 11 1.972 2.043 0.196 1.00 0.00 S ATOM 0 H CYS A 11 5.112 3.772 -2.115 1.00 0.00 H new ATOM 0 HA CYS A 11 4.326 3.008 0.679 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.048 2.629 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.576 1.058 -1.313 1.00 0.00 H new ATOM 157 N SER A 12 5.662 0.746 0.533 1.00 0.00 N ATOM 158 CA SER A 12 6.752 -0.269 0.589 1.00 0.00 C ATOM 159 C SER A 12 6.149 -1.666 0.430 1.00 0.00 C ATOM 160 O SER A 12 5.223 -2.037 1.125 1.00 0.00 O ATOM 161 CB SER A 12 7.471 -0.172 1.935 1.00 0.00 C ATOM 162 OG SER A 12 6.603 -0.629 2.965 1.00 0.00 O ATOM 0 H SER A 12 4.910 0.613 1.209 1.00 0.00 H new ATOM 0 HA SER A 12 7.465 -0.085 -0.215 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.381 -0.771 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.771 0.858 2.127 1.00 0.00 H new ATOM 0 HG SER A 12 7.061 -0.570 3.829 1.00 0.00 H new ATOM 168 N LEU A 13 6.661 -2.444 -0.484 1.00 0.00 N ATOM 169 CA LEU A 13 6.116 -3.812 -0.692 1.00 0.00 C ATOM 170 C LEU A 13 6.008 -4.540 0.653 1.00 0.00 C ATOM 171 O LEU A 13 5.265 -5.489 0.794 1.00 0.00 O ATOM 172 CB LEU A 13 7.028 -4.607 -1.637 1.00 0.00 C ATOM 173 CG LEU A 13 8.468 -4.085 -1.585 1.00 0.00 C ATOM 174 CD1 LEU A 13 8.928 -3.964 -0.132 1.00 0.00 C ATOM 175 CD2 LEU A 13 9.387 -5.063 -2.322 1.00 0.00 C ATOM 0 H LEU A 13 7.436 -2.189 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 13 5.125 -3.731 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.010 -5.662 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.649 -4.537 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 13 8.510 -3.104 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.952 -3.592 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.276 -3.271 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.884 -4.942 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.412 -4.695 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.336 -6.041 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.068 -5.150 -3.361 1.00 0.00 H new ATOM 187 N TYR A 14 6.741 -4.105 1.641 1.00 0.00 N ATOM 188 CA TYR A 14 6.677 -4.775 2.970 1.00 0.00 C ATOM 189 C TYR A 14 5.363 -4.421 3.654 1.00 0.00 C ATOM 190 O TYR A 14 4.641 -5.275 4.127 1.00 0.00 O ATOM 191 CB TYR A 14 7.844 -4.292 3.832 1.00 0.00 C ATOM 192 CG TYR A 14 7.730 -4.878 5.218 1.00 0.00 C ATOM 193 CD1 TYR A 14 7.514 -6.253 5.384 1.00 0.00 C ATOM 194 CD2 TYR A 14 7.841 -4.046 6.340 1.00 0.00 C ATOM 195 CE1 TYR A 14 7.410 -6.795 6.672 1.00 0.00 C ATOM 196 CE2 TYR A 14 7.736 -4.587 7.627 1.00 0.00 C ATOM 197 CZ TYR A 14 7.520 -5.961 7.793 1.00 0.00 C ATOM 198 OH TYR A 14 7.417 -6.495 9.062 1.00 0.00 O ATOM 0 H TYR A 14 7.382 -3.314 1.585 1.00 0.00 H new ATOM 0 HA TYR A 14 6.738 -5.855 2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.790 -4.588 3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.843 -3.203 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.428 -6.894 4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.008 -2.987 6.212 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.245 -7.855 6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.822 -3.945 8.491 1.00 0.00 H new ATOM 0 HH TYR A 14 7.517 -5.781 9.726 1.00 0.00 H new ATOM 208 N GLN A 15 5.050 -3.165 3.704 1.00 0.00 N ATOM 209 CA GLN A 15 3.779 -2.738 4.350 1.00 0.00 C ATOM 210 C GLN A 15 2.620 -3.070 3.417 1.00 0.00 C ATOM 211 O GLN A 15 1.503 -3.294 3.840 1.00 0.00 O ATOM 212 CB GLN A 15 3.815 -1.230 4.612 1.00 0.00 C ATOM 213 CG GLN A 15 2.948 -0.901 5.829 1.00 0.00 C ATOM 214 CD GLN A 15 2.033 0.280 5.497 1.00 0.00 C ATOM 215 OE1 GLN A 15 1.524 0.378 4.398 1.00 0.00 O ATOM 216 NE2 GLN A 15 1.802 1.187 6.406 1.00 0.00 N ATOM 0 H GLN A 15 5.619 -2.408 3.325 1.00 0.00 H new ATOM 0 HA GLN A 15 3.652 -3.259 5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.841 -0.905 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.452 -0.690 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.352 -1.769 6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.579 -0.657 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.229 1.105 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.194 1.978 6.194 1.00 0.00 H new ATOM 225 N LEU A 16 2.891 -3.116 2.146 1.00 0.00 N ATOM 226 CA LEU A 16 1.826 -3.444 1.166 1.00 0.00 C ATOM 227 C LEU A 16 1.582 -4.950 1.187 1.00 0.00 C ATOM 228 O LEU A 16 0.517 -5.426 0.851 1.00 0.00 O ATOM 229 CB LEU A 16 2.278 -3.020 -0.229 1.00 0.00 C ATOM 230 CG LEU A 16 1.056 -2.823 -1.118 1.00 0.00 C ATOM 231 CD1 LEU A 16 0.906 -1.338 -1.451 1.00 0.00 C ATOM 232 CD2 LEU A 16 1.237 -3.623 -2.407 1.00 0.00 C ATOM 0 H LEU A 16 3.811 -2.939 1.742 1.00 0.00 H new ATOM 0 HA LEU A 16 0.907 -2.918 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.853 -2.096 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.934 -3.778 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 16 0.162 -3.169 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.033 -1.194 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.782 -0.769 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.797 -0.991 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.365 -3.485 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.128 -3.275 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.347 -4.680 -2.167 1.00 0.00 H new ATOM 244 N GLU A 17 2.569 -5.704 1.583 1.00 0.00 N ATOM 245 CA GLU A 17 2.403 -7.180 1.632 1.00 0.00 C ATOM 246 C GLU A 17 1.374 -7.539 2.707 1.00 0.00 C ATOM 247 O GLU A 17 0.950 -8.672 2.821 1.00 0.00 O ATOM 248 CB GLU A 17 3.751 -7.836 1.960 1.00 0.00 C ATOM 249 CG GLU A 17 4.059 -7.678 3.451 1.00 0.00 C ATOM 250 CD GLU A 17 3.912 -9.032 4.148 1.00 0.00 C ATOM 251 OE1 GLU A 17 4.157 -10.038 3.503 1.00 0.00 O ATOM 252 OE2 GLU A 17 3.558 -9.039 5.315 1.00 0.00 O ATOM 0 H GLU A 17 3.484 -5.360 1.875 1.00 0.00 H new ATOM 0 HA GLU A 17 2.055 -7.543 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.725 -8.893 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.542 -7.378 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.071 -7.295 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.381 -6.951 3.898 1.00 0.00 H new ATOM 259 N ASN A 18 0.970 -6.581 3.500 1.00 0.00 N ATOM 260 CA ASN A 18 -0.028 -6.869 4.567 1.00 0.00 C ATOM 261 C ASN A 18 -1.396 -7.135 3.935 1.00 0.00 C ATOM 262 O ASN A 18 -2.279 -7.691 4.556 1.00 0.00 O ATOM 263 CB ASN A 18 -0.127 -5.669 5.512 1.00 0.00 C ATOM 264 CG ASN A 18 -0.233 -6.164 6.956 1.00 0.00 C ATOM 265 OD1 ASN A 18 -0.404 -7.342 7.197 1.00 0.00 O ATOM 266 ND2 ASN A 18 -0.135 -5.305 7.934 1.00 0.00 N ATOM 0 H ASN A 18 1.289 -5.613 3.453 1.00 0.00 H new ATOM 0 HA ASN A 18 0.288 -7.749 5.128 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.749 -5.030 5.399 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.998 -5.064 5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.202 -5.623 8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.009 -4.316 7.731 1.00 0.00 H new ATOM 273 N TYR A 19 -1.578 -6.740 2.707 1.00 0.00 N ATOM 274 CA TYR A 19 -2.891 -6.970 2.038 1.00 0.00 C ATOM 275 C TYR A 19 -2.906 -8.361 1.400 1.00 0.00 C ATOM 276 O TYR A 19 -3.864 -8.751 0.761 1.00 0.00 O ATOM 277 CB TYR A 19 -3.104 -5.909 0.955 1.00 0.00 C ATOM 278 CG TYR A 19 -2.979 -4.534 1.568 1.00 0.00 C ATOM 279 CD1 TYR A 19 -3.976 -4.057 2.427 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.865 -3.738 1.276 1.00 0.00 C ATOM 281 CE1 TYR A 19 -3.860 -2.781 2.996 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.747 -2.462 1.844 1.00 0.00 C ATOM 283 CZ TYR A 19 -2.746 -1.984 2.705 1.00 0.00 C ATOM 284 OH TYR A 19 -2.630 -0.728 3.264 1.00 0.00 O ATOM 0 H TYR A 19 -0.876 -6.268 2.137 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.690 -6.903 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.369 -6.033 0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.088 -6.029 0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.835 -4.672 2.651 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.096 -4.107 0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.629 -2.413 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.888 -1.847 1.619 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.798 -0.310 2.959 1.00 0.00 H new ATOM 294 N CYS A 20 -1.853 -9.114 1.565 1.00 0.00 N ATOM 295 CA CYS A 20 -1.809 -10.478 0.968 1.00 0.00 C ATOM 296 C CYS A 20 -2.627 -11.442 1.832 1.00 0.00 C ATOM 297 O CYS A 20 -2.787 -11.244 3.019 1.00 0.00 O ATOM 298 CB CYS A 20 -0.356 -10.955 0.901 1.00 0.00 C ATOM 299 SG CYS A 20 -0.311 -12.712 0.466 1.00 0.00 S ATOM 0 H CYS A 20 -1.020 -8.843 2.088 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.230 -10.450 -0.037 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.194 -10.373 0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.134 -10.795 1.861 1.00 0.00 H new ATOM 304 N ASN A 21 -3.144 -12.486 1.243 1.00 0.00 N ATOM 305 CA ASN A 21 -3.948 -13.462 2.031 1.00 0.00 C ATOM 306 C ASN A 21 -3.053 -14.135 3.072 1.00 0.00 C ATOM 307 O ASN A 21 -2.196 -14.908 2.678 1.00 0.00 O ATOM 308 CB ASN A 21 -4.525 -14.524 1.091 1.00 0.00 C ATOM 309 CG ASN A 21 -5.623 -15.305 1.816 1.00 0.00 C ATOM 310 OD1 ASN A 21 -5.342 -16.100 2.691 1.00 0.00 O ATOM 311 ND2 ASN A 21 -6.870 -15.113 1.485 1.00 0.00 N ATOM 312 OXT ASN A 21 -3.240 -13.866 4.248 1.00 0.00 O ATOM 0 H ASN A 21 -3.044 -12.705 0.252 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.763 -12.941 2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.930 -14.051 0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.737 -15.202 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.609 -15.630 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.106 -14.446 0.751 1.00 0.00 H new TER 319 ASN A 21 ATOM 320 N PHE B 1 13.346 -2.314 -3.696 1.00 0.00 N ATOM 321 CA PHE B 1 12.464 -1.405 -4.481 1.00 0.00 C ATOM 322 C PHE B 1 13.232 -0.133 -4.840 1.00 0.00 C ATOM 323 O PHE B 1 14.446 -0.109 -4.849 1.00 0.00 O ATOM 324 CB PHE B 1 11.235 -1.040 -3.646 1.00 0.00 C ATOM 325 CG PHE B 1 9.991 -1.534 -4.343 1.00 0.00 C ATOM 326 CD1 PHE B 1 9.768 -2.910 -4.487 1.00 0.00 C ATOM 327 CD2 PHE B 1 9.058 -0.617 -4.848 1.00 0.00 C ATOM 328 CE1 PHE B 1 8.615 -3.369 -5.135 1.00 0.00 C ATOM 329 CE2 PHE B 1 7.904 -1.077 -5.496 1.00 0.00 C ATOM 330 CZ PHE B 1 7.682 -2.453 -5.640 1.00 0.00 C ATOM 0 H1 PHE B 1 13.021 -3.296 -3.809 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.324 -2.231 -4.040 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.309 -2.051 -2.691 1.00 0.00 H new ATOM 0 HA PHE B 1 12.147 -1.907 -5.395 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.310 -1.485 -2.654 1.00 0.00 H new ATOM 0 HB3 PHE B 1 11.183 0.040 -3.508 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.486 -3.617 -4.098 1.00 0.00 H new ATOM 0 HD2 PHE B 1 9.229 0.444 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.444 -4.430 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.185 -0.371 -5.885 1.00 0.00 H new ATOM 0 HZ PHE B 1 6.793 -2.808 -6.140 1.00 0.00 H new ATOM 342 N VAL B 2 12.531 0.926 -5.142 1.00 0.00 N ATOM 343 CA VAL B 2 13.218 2.196 -5.505 1.00 0.00 C ATOM 344 C VAL B 2 12.416 3.383 -4.967 1.00 0.00 C ATOM 345 O VAL B 2 12.532 4.491 -5.450 1.00 0.00 O ATOM 346 CB VAL B 2 13.322 2.299 -7.027 1.00 0.00 C ATOM 347 CG1 VAL B 2 14.568 1.553 -7.506 1.00 0.00 C ATOM 348 CG2 VAL B 2 12.079 1.674 -7.664 1.00 0.00 C ATOM 0 H VAL B 2 11.512 0.966 -5.153 1.00 0.00 H new ATOM 0 HA VAL B 2 14.217 2.207 -5.069 1.00 0.00 H new ATOM 0 HB VAL B 2 13.393 3.347 -7.316 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.642 1.627 -8.591 1.00 0.00 H new ATOM 0 HG12 VAL B 2 15.454 1.995 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL B 2 14.497 0.504 -7.218 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.151 1.746 -8.749 1.00 0.00 H new ATOM 0 HG22 VAL B 2 12.010 0.626 -7.374 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.190 2.204 -7.323 1.00 0.00 H new ATOM 358 N ASN B 3 11.602 3.160 -3.972 1.00 0.00 N ATOM 359 CA ASN B 3 10.793 4.276 -3.406 1.00 0.00 C ATOM 360 C ASN B 3 9.980 4.932 -4.525 1.00 0.00 C ATOM 361 O ASN B 3 10.482 5.742 -5.279 1.00 0.00 O ATOM 362 CB ASN B 3 11.727 5.314 -2.779 1.00 0.00 C ATOM 363 CG ASN B 3 12.201 4.816 -1.412 1.00 0.00 C ATOM 364 OD1 ASN B 3 11.416 4.684 -0.495 1.00 0.00 O ATOM 365 ND2 ASN B 3 13.462 4.532 -1.236 1.00 0.00 N ATOM 0 H ASN B 3 11.462 2.253 -3.527 1.00 0.00 H new ATOM 0 HA ASN B 3 10.117 3.887 -2.644 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.583 5.489 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.209 6.267 -2.671 1.00 0.00 H new ATOM 0 HD21 ASN B 3 13.788 4.199 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.122 4.643 -2.006 1.00 0.00 H new ATOM 372 N GLN B 4 8.725 4.585 -4.641 1.00 0.00 N ATOM 373 CA GLN B 4 7.881 5.187 -5.712 1.00 0.00 C ATOM 374 C GLN B 4 6.407 5.091 -5.315 1.00 0.00 C ATOM 375 O GLN B 4 6.041 4.349 -4.425 1.00 0.00 O ATOM 376 CB GLN B 4 8.105 4.428 -7.022 1.00 0.00 C ATOM 377 CG GLN B 4 8.059 5.407 -8.196 1.00 0.00 C ATOM 378 CD GLN B 4 7.641 4.662 -9.466 1.00 0.00 C ATOM 379 OE1 GLN B 4 6.975 5.216 -10.317 1.00 0.00 O ATOM 380 NE2 GLN B 4 8.004 3.419 -9.628 1.00 0.00 N ATOM 0 H GLN B 4 8.249 3.911 -4.041 1.00 0.00 H new ATOM 0 HA GLN B 4 8.154 6.234 -5.845 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.068 3.918 -6.998 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.341 3.661 -7.145 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.354 6.211 -7.985 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.036 5.868 -8.337 1.00 0.00 H new ATOM 0 HE21 GLN B 4 8.563 2.954 -8.913 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.728 2.913 -10.469 1.00 0.00 H new ATOM 389 N HIS B 5 5.556 5.835 -5.967 1.00 0.00 N ATOM 390 CA HIS B 5 4.107 5.785 -5.627 1.00 0.00 C ATOM 391 C HIS B 5 3.437 4.645 -6.399 1.00 0.00 C ATOM 392 O HIS B 5 3.658 4.468 -7.581 1.00 0.00 O ATOM 393 CB HIS B 5 3.447 7.111 -6.007 1.00 0.00 C ATOM 394 CG HIS B 5 4.326 8.251 -5.572 1.00 0.00 C ATOM 395 ND1 HIS B 5 4.197 8.824 -4.325 1.00 0.00 N ATOM 396 CD2 HIS B 5 5.334 8.909 -6.222 1.00 0.00 C ATOM 397 CE1 HIS B 5 5.114 9.798 -4.252 1.00 0.00 C ATOM 398 NE2 HIS B 5 5.834 9.888 -5.389 1.00 0.00 N ATOM 0 H HIS B 5 5.803 6.476 -6.721 1.00 0.00 H new ATOM 0 HA HIS B 5 3.994 5.615 -4.556 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.285 7.153 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS B 5 2.468 7.191 -5.534 1.00 0.00 H new ATOM 0 HD1 HIS B 5 3.532 8.558 -3.599 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.681 8.697 -7.222 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.259 10.432 -3.390 1.00 0.00 H new ATOM 406 N LEU B 6 2.619 3.868 -5.740 1.00 0.00 N ATOM 407 CA LEU B 6 1.935 2.741 -6.431 1.00 0.00 C ATOM 408 C LEU B 6 0.463 3.095 -6.652 1.00 0.00 C ATOM 409 O LEU B 6 -0.164 3.728 -5.825 1.00 0.00 O ATOM 410 CB LEU B 6 2.029 1.489 -5.558 1.00 0.00 C ATOM 411 CG LEU B 6 3.148 0.582 -6.074 1.00 0.00 C ATOM 412 CD1 LEU B 6 4.400 1.419 -6.341 1.00 0.00 C ATOM 413 CD2 LEU B 6 3.463 -0.483 -5.022 1.00 0.00 C ATOM 0 H LEU B 6 2.396 3.967 -4.750 1.00 0.00 H new ATOM 0 HA LEU B 6 2.412 2.557 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.224 1.770 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.080 0.954 -5.570 1.00 0.00 H new ATOM 0 HG LEU B 6 2.829 0.100 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.198 0.773 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.176 2.180 -7.088 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.720 1.900 -5.417 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.260 -1.131 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.783 0.001 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.571 -1.079 -4.829 1.00 0.00 H new ATOM 425 N CYS B 7 -0.097 2.693 -7.761 1.00 0.00 N ATOM 426 CA CYS B 7 -1.526 3.010 -8.028 1.00 0.00 C ATOM 427 C CYS B 7 -2.055 2.098 -9.139 1.00 0.00 C ATOM 428 O CYS B 7 -1.400 1.876 -10.137 1.00 0.00 O ATOM 429 CB CYS B 7 -1.641 4.469 -8.466 1.00 0.00 C ATOM 430 SG CYS B 7 -2.952 5.284 -7.521 1.00 0.00 S ATOM 0 H CYS B 7 0.374 2.160 -8.492 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.113 2.851 -7.123 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.692 4.982 -8.309 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.860 4.523 -9.532 1.00 0.00 H new ATOM 435 N GLY B 8 -3.239 1.572 -8.973 1.00 0.00 N ATOM 436 CA GLY B 8 -3.811 0.679 -10.022 1.00 0.00 C ATOM 437 C GLY B 8 -3.225 -0.727 -9.876 1.00 0.00 C ATOM 438 O GLY B 8 -2.986 -1.200 -8.783 1.00 0.00 O ATOM 0 H GLY B 8 -3.834 1.722 -8.158 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.897 0.643 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.588 1.076 -11.012 1.00 0.00 H new ATOM 442 N SER B 9 -2.993 -1.399 -10.970 1.00 0.00 N ATOM 443 CA SER B 9 -2.423 -2.774 -10.895 1.00 0.00 C ATOM 444 C SER B 9 -1.039 -2.717 -10.249 1.00 0.00 C ATOM 445 O SER B 9 -0.480 -3.725 -9.865 1.00 0.00 O ATOM 446 CB SER B 9 -2.306 -3.355 -12.304 1.00 0.00 C ATOM 447 OG SER B 9 -1.394 -2.571 -13.061 1.00 0.00 O ATOM 0 H SER B 9 -3.174 -1.055 -11.913 1.00 0.00 H new ATOM 0 HA SER B 9 -3.077 -3.407 -10.295 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.963 -4.388 -12.256 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.283 -3.366 -12.788 1.00 0.00 H new ATOM 0 HG SER B 9 -1.315 -2.942 -13.965 1.00 0.00 H new ATOM 453 N ASP B 10 -0.483 -1.543 -10.116 1.00 0.00 N ATOM 454 CA ASP B 10 0.859 -1.424 -9.487 1.00 0.00 C ATOM 455 C ASP B 10 0.789 -1.972 -8.063 1.00 0.00 C ATOM 456 O ASP B 10 1.782 -2.373 -7.489 1.00 0.00 O ATOM 457 CB ASP B 10 1.272 0.048 -9.454 1.00 0.00 C ATOM 458 CG ASP B 10 2.248 0.331 -10.595 1.00 0.00 C ATOM 459 OD1 ASP B 10 3.413 -0.002 -10.450 1.00 0.00 O ATOM 460 OD2 ASP B 10 1.816 0.877 -11.597 1.00 0.00 O ATOM 0 H ASP B 10 -0.902 -0.663 -10.416 1.00 0.00 H new ATOM 0 HA ASP B 10 1.592 -1.990 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.393 0.685 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.737 0.285 -8.497 1.00 0.00 H new ATOM 465 N LEU B 11 -0.382 -1.994 -7.492 1.00 0.00 N ATOM 466 CA LEU B 11 -0.528 -2.517 -6.110 1.00 0.00 C ATOM 467 C LEU B 11 -0.336 -4.033 -6.127 1.00 0.00 C ATOM 468 O LEU B 11 0.441 -4.576 -5.369 1.00 0.00 O ATOM 469 CB LEU B 11 -1.925 -2.177 -5.588 1.00 0.00 C ATOM 470 CG LEU B 11 -1.865 -0.920 -4.718 1.00 0.00 C ATOM 471 CD1 LEU B 11 -1.074 -1.212 -3.441 1.00 0.00 C ATOM 472 CD2 LEU B 11 -1.181 0.206 -5.496 1.00 0.00 C ATOM 0 H LEU B 11 -1.246 -1.671 -7.926 1.00 0.00 H new ATOM 0 HA LEU B 11 0.220 -2.064 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.606 -2.019 -6.424 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.319 -3.012 -5.009 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.878 -0.617 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.034 -0.314 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.563 -2.012 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.061 -1.518 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.138 1.102 -4.877 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.169 -0.099 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.748 0.418 -6.402 1.00 0.00 H new ATOM 484 N VAL B 12 -1.030 -4.721 -6.992 1.00 0.00 N ATOM 485 CA VAL B 12 -0.865 -6.198 -7.055 1.00 0.00 C ATOM 486 C VAL B 12 0.564 -6.516 -7.484 1.00 0.00 C ATOM 487 O VAL B 12 1.018 -7.636 -7.377 1.00 0.00 O ATOM 488 CB VAL B 12 -1.850 -6.791 -8.062 1.00 0.00 C ATOM 489 CG1 VAL B 12 -3.235 -6.205 -7.814 1.00 0.00 C ATOM 490 CG2 VAL B 12 -1.400 -6.453 -9.484 1.00 0.00 C ATOM 0 H VAL B 12 -1.699 -4.326 -7.653 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.063 -6.631 -6.075 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.883 -7.874 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.941 -6.625 -8.530 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.557 -6.448 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.199 -5.122 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.105 -6.877 -10.199 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.366 -5.371 -9.607 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.408 -6.870 -9.661 1.00 0.00 H new ATOM 500 N GLU B 13 1.285 -5.532 -7.949 1.00 0.00 N ATOM 501 CA GLU B 13 2.691 -5.777 -8.356 1.00 0.00 C ATOM 502 C GLU B 13 3.509 -5.917 -7.083 1.00 0.00 C ATOM 503 O GLU B 13 4.202 -6.893 -6.874 1.00 0.00 O ATOM 504 CB GLU B 13 3.210 -4.594 -9.177 1.00 0.00 C ATOM 505 CG GLU B 13 4.643 -4.879 -9.631 1.00 0.00 C ATOM 506 CD GLU B 13 5.407 -3.562 -9.774 1.00 0.00 C ATOM 507 OE1 GLU B 13 4.775 -2.562 -10.072 1.00 0.00 O ATOM 508 OE2 GLU B 13 6.612 -3.575 -9.580 1.00 0.00 O ATOM 0 H GLU B 13 0.959 -4.572 -8.063 1.00 0.00 H new ATOM 0 HA GLU B 13 2.765 -6.676 -8.968 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.569 -4.429 -10.043 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.181 -3.682 -8.580 1.00 0.00 H new ATOM 0 HG2 GLU B 13 5.143 -5.524 -8.909 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.635 -5.412 -10.582 1.00 0.00 H new ATOM 515 N ALA B 14 3.402 -4.957 -6.210 1.00 0.00 N ATOM 516 CA ALA B 14 4.139 -5.042 -4.929 1.00 0.00 C ATOM 517 C ALA B 14 3.707 -6.328 -4.227 1.00 0.00 C ATOM 518 O ALA B 14 4.457 -6.936 -3.488 1.00 0.00 O ATOM 519 CB ALA B 14 3.784 -3.833 -4.069 1.00 0.00 C ATOM 0 H ALA B 14 2.835 -4.118 -6.332 1.00 0.00 H new ATOM 0 HA ALA B 14 5.216 -5.051 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.323 -3.888 -3.123 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.063 -2.919 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.711 -3.827 -3.875 1.00 0.00 H new ATOM 525 N LEU B 15 2.496 -6.753 -4.475 1.00 0.00 N ATOM 526 CA LEU B 15 2.000 -8.006 -3.849 1.00 0.00 C ATOM 527 C LEU B 15 2.479 -9.193 -4.678 1.00 0.00 C ATOM 528 O LEU B 15 2.968 -10.176 -4.161 1.00 0.00 O ATOM 529 CB LEU B 15 0.470 -7.992 -3.809 1.00 0.00 C ATOM 530 CG LEU B 15 -0.012 -6.756 -3.050 1.00 0.00 C ATOM 531 CD1 LEU B 15 -1.376 -6.322 -3.594 1.00 0.00 C ATOM 532 CD2 LEU B 15 -0.141 -7.090 -1.562 1.00 0.00 C ATOM 0 H LEU B 15 1.830 -6.282 -5.087 1.00 0.00 H new ATOM 0 HA LEU B 15 2.381 -8.086 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.070 -7.988 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.101 -8.896 -3.324 1.00 0.00 H new ATOM 0 HG LEU B 15 0.706 -5.947 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.720 -5.441 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.286 -6.085 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.094 -7.131 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.485 -6.209 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.859 -7.899 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.829 -7.400 -1.173 1.00 0.00 H new ATOM 544 N TYR B 16 2.343 -9.096 -5.967 1.00 0.00 N ATOM 545 CA TYR B 16 2.790 -10.204 -6.860 1.00 0.00 C ATOM 546 C TYR B 16 4.134 -10.752 -6.381 1.00 0.00 C ATOM 547 O TYR B 16 4.477 -11.888 -6.641 1.00 0.00 O ATOM 548 CB TYR B 16 2.966 -9.670 -8.282 1.00 0.00 C ATOM 549 CG TYR B 16 2.250 -10.576 -9.254 1.00 0.00 C ATOM 550 CD1 TYR B 16 2.768 -11.846 -9.541 1.00 0.00 C ATOM 551 CD2 TYR B 16 1.068 -10.147 -9.871 1.00 0.00 C ATOM 552 CE1 TYR B 16 2.103 -12.687 -10.444 1.00 0.00 C ATOM 553 CE2 TYR B 16 0.403 -10.986 -10.774 1.00 0.00 C ATOM 554 CZ TYR B 16 0.921 -12.257 -11.061 1.00 0.00 C ATOM 555 OH TYR B 16 0.265 -13.085 -11.950 1.00 0.00 O ATOM 0 H TYR B 16 1.939 -8.292 -6.447 1.00 0.00 H new ATOM 0 HA TYR B 16 2.041 -10.995 -6.841 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.569 -8.657 -8.353 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.025 -9.615 -8.533 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.680 -12.177 -9.066 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.669 -9.168 -9.650 1.00 0.00 H new ATOM 0 HE1 TYR B 16 2.502 -13.666 -10.664 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.508 -10.654 -11.249 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.538 -12.634 -12.286 1.00 0.00 H new ATOM 565 N LEU B 17 4.913 -9.953 -5.707 1.00 0.00 N ATOM 566 CA LEU B 17 6.244 -10.434 -5.245 1.00 0.00 C ATOM 567 C LEU B 17 6.201 -10.819 -3.764 1.00 0.00 C ATOM 568 O LEU B 17 6.471 -11.948 -3.404 1.00 0.00 O ATOM 569 CB LEU B 17 7.304 -9.343 -5.447 1.00 0.00 C ATOM 570 CG LEU B 17 6.694 -8.069 -6.041 1.00 0.00 C ATOM 571 CD1 LEU B 17 7.755 -6.967 -6.075 1.00 0.00 C ATOM 572 CD2 LEU B 17 6.217 -8.356 -7.468 1.00 0.00 C ATOM 0 H LEU B 17 4.686 -8.991 -5.457 1.00 0.00 H new ATOM 0 HA LEU B 17 6.504 -11.313 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.775 -9.111 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.088 -9.714 -6.107 1.00 0.00 H new ATOM 0 HG LEU B 17 5.851 -7.746 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.324 -6.059 -6.497 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.103 -6.766 -5.062 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.595 -7.290 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.782 -7.452 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.063 -8.674 -8.077 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.466 -9.146 -7.449 1.00 0.00 H new ATOM 584 N VAL B 18 5.893 -9.887 -2.903 1.00 0.00 N ATOM 585 CA VAL B 18 5.860 -10.193 -1.437 1.00 0.00 C ATOM 586 C VAL B 18 5.274 -11.580 -1.197 1.00 0.00 C ATOM 587 O VAL B 18 5.814 -12.379 -0.456 1.00 0.00 O ATOM 588 CB VAL B 18 5.000 -9.165 -0.707 1.00 0.00 C ATOM 589 CG1 VAL B 18 5.584 -7.769 -0.908 1.00 0.00 C ATOM 590 CG2 VAL B 18 3.578 -9.206 -1.258 1.00 0.00 C ATOM 0 H VAL B 18 5.662 -8.924 -3.149 1.00 0.00 H new ATOM 0 HA VAL B 18 6.882 -10.158 -1.059 1.00 0.00 H new ATOM 0 HB VAL B 18 4.985 -9.400 0.357 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.967 -7.038 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL B 18 6.598 -7.738 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.604 -7.533 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.964 -8.472 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.594 -8.975 -2.323 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.159 -10.201 -1.109 1.00 0.00 H new ATOM 600 N CYS B 19 4.175 -11.866 -1.816 1.00 0.00 N ATOM 601 CA CYS B 19 3.535 -13.194 -1.636 1.00 0.00 C ATOM 602 C CYS B 19 3.765 -14.032 -2.889 1.00 0.00 C ATOM 603 O CYS B 19 4.459 -15.029 -2.865 1.00 0.00 O ATOM 604 CB CYS B 19 2.035 -13.005 -1.417 1.00 0.00 C ATOM 605 SG CYS B 19 1.659 -13.139 0.348 1.00 0.00 S ATOM 0 H CYS B 19 3.684 -11.233 -2.447 1.00 0.00 H new ATOM 0 HA CYS B 19 3.967 -13.700 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.722 -12.031 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.478 -13.757 -1.976 1.00 0.00 H new ATOM 610 N GLY B 20 3.194 -13.630 -3.987 1.00 0.00 N ATOM 611 CA GLY B 20 3.384 -14.396 -5.244 1.00 0.00 C ATOM 612 C GLY B 20 2.065 -15.049 -5.658 1.00 0.00 C ATOM 613 O GLY B 20 1.067 -14.384 -5.853 1.00 0.00 O ATOM 0 H GLY B 20 2.603 -12.802 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.736 -13.733 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.150 -15.159 -5.103 1.00 0.00 H new ATOM 617 N GLU B 21 2.050 -16.347 -5.798 1.00 0.00 N ATOM 618 CA GLU B 21 0.794 -17.038 -6.203 1.00 0.00 C ATOM 619 C GLU B 21 -0.097 -17.246 -4.977 1.00 0.00 C ATOM 620 O GLU B 21 -1.138 -17.868 -5.055 1.00 0.00 O ATOM 621 CB GLU B 21 1.134 -18.394 -6.824 1.00 0.00 C ATOM 622 CG GLU B 21 0.850 -18.351 -8.327 1.00 0.00 C ATOM 623 CD GLU B 21 1.656 -19.443 -9.032 1.00 0.00 C ATOM 624 OE1 GLU B 21 1.934 -20.449 -8.398 1.00 0.00 O ATOM 625 OE2 GLU B 21 1.982 -19.258 -10.193 1.00 0.00 O ATOM 0 H GLU B 21 2.853 -16.958 -5.649 1.00 0.00 H new ATOM 0 HA GLU B 21 0.265 -16.426 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.182 -18.634 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.543 -19.180 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.215 -18.495 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.114 -17.373 -8.729 1.00 0.00 H new ATOM 632 N ARG B 22 0.298 -16.730 -3.845 1.00 0.00 N ATOM 633 CA ARG B 22 -0.534 -16.900 -2.621 1.00 0.00 C ATOM 634 C ARG B 22 -1.895 -16.237 -2.839 1.00 0.00 C ATOM 635 O ARG B 22 -2.830 -16.455 -2.096 1.00 0.00 O ATOM 636 CB ARG B 22 0.167 -16.242 -1.431 1.00 0.00 C ATOM 637 CG ARG B 22 0.408 -17.284 -0.336 1.00 0.00 C ATOM 638 CD ARG B 22 -0.934 -17.732 0.247 1.00 0.00 C ATOM 639 NE ARG B 22 -0.776 -18.007 1.703 1.00 0.00 N ATOM 640 CZ ARG B 22 -1.378 -19.031 2.243 1.00 0.00 C ATOM 641 NH1 ARG B 22 -0.872 -20.227 2.118 1.00 0.00 N ATOM 642 NH2 ARG B 22 -2.489 -18.860 2.907 1.00 0.00 N ATOM 0 H ARG B 22 1.159 -16.199 -3.715 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.672 -17.962 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.115 -15.808 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.443 -15.426 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG B 22 0.943 -18.141 -0.746 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.035 -16.863 0.450 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.686 -16.959 0.092 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.285 -18.627 -0.267 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.197 -17.395 2.278 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.005 -20.362 1.598 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -1.343 -21.027 2.540 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -2.887 -17.926 3.004 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.959 -19.661 3.329 1.00 0.00 H new ATOM 656 N GLY B 23 -2.010 -15.428 -3.856 1.00 0.00 N ATOM 657 CA GLY B 23 -3.309 -14.749 -4.126 1.00 0.00 C ATOM 658 C GLY B 23 -3.477 -13.572 -3.165 1.00 0.00 C ATOM 659 O GLY B 23 -4.252 -13.625 -2.231 1.00 0.00 O ATOM 0 H GLY B 23 -1.261 -15.208 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -3.341 -14.398 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.132 -15.453 -4.003 1.00 0.00 H new ATOM 663 N PHE B 24 -2.757 -12.504 -3.386 1.00 0.00 N ATOM 664 CA PHE B 24 -2.875 -11.329 -2.488 1.00 0.00 C ATOM 665 C PHE B 24 -4.347 -10.926 -2.370 1.00 0.00 C ATOM 666 O PHE B 24 -5.171 -11.305 -3.178 1.00 0.00 O ATOM 667 CB PHE B 24 -2.068 -10.167 -3.068 1.00 0.00 C ATOM 668 CG PHE B 24 -2.125 -10.201 -4.577 1.00 0.00 C ATOM 669 CD1 PHE B 24 -3.264 -9.733 -5.245 1.00 0.00 C ATOM 670 CD2 PHE B 24 -1.038 -10.698 -5.309 1.00 0.00 C ATOM 671 CE1 PHE B 24 -3.316 -9.764 -6.645 1.00 0.00 C ATOM 672 CE2 PHE B 24 -1.091 -10.729 -6.709 1.00 0.00 C ATOM 673 CZ PHE B 24 -2.230 -10.262 -7.377 1.00 0.00 C ATOM 0 H PHE B 24 -2.092 -12.399 -4.152 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.489 -11.581 -1.500 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.464 -9.220 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.033 -10.230 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.101 -9.349 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.159 -11.057 -4.794 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.194 -9.404 -7.160 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -0.254 -11.113 -7.273 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.271 -10.286 -8.456 1.00 0.00 H new ATOM 683 N PHE B 25 -4.685 -10.164 -1.367 1.00 0.00 N ATOM 684 CA PHE B 25 -6.105 -9.744 -1.198 1.00 0.00 C ATOM 685 C PHE B 25 -6.258 -8.274 -1.592 1.00 0.00 C ATOM 686 O PHE B 25 -7.019 -7.539 -0.996 1.00 0.00 O ATOM 687 CB PHE B 25 -6.518 -9.924 0.264 1.00 0.00 C ATOM 688 CG PHE B 25 -7.998 -9.664 0.405 1.00 0.00 C ATOM 689 CD1 PHE B 25 -8.918 -10.464 -0.285 1.00 0.00 C ATOM 690 CD2 PHE B 25 -8.452 -8.623 1.225 1.00 0.00 C ATOM 691 CE1 PHE B 25 -10.292 -10.224 -0.154 1.00 0.00 C ATOM 692 CE2 PHE B 25 -9.825 -8.381 1.355 1.00 0.00 C ATOM 693 CZ PHE B 25 -10.746 -9.182 0.665 1.00 0.00 C ATOM 0 H PHE B 25 -4.041 -9.814 -0.658 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.741 -10.357 -1.836 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.282 -10.934 0.598 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -5.956 -9.239 0.899 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.568 -11.266 -0.918 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.743 -8.007 1.757 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.001 -10.842 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.174 -7.578 1.987 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.805 -8.996 0.765 1.00 0.00 H new ATOM 703 N TYR B 26 -5.545 -7.836 -2.595 1.00 0.00 N ATOM 704 CA TYR B 26 -5.661 -6.414 -3.021 1.00 0.00 C ATOM 705 C TYR B 26 -7.096 -6.138 -3.456 1.00 0.00 C ATOM 706 O TYR B 26 -7.911 -7.031 -3.563 1.00 0.00 O ATOM 707 CB TYR B 26 -4.699 -6.150 -4.184 1.00 0.00 C ATOM 708 CG TYR B 26 -4.947 -4.792 -4.798 1.00 0.00 C ATOM 709 CD1 TYR B 26 -4.555 -3.632 -4.115 1.00 0.00 C ATOM 710 CD2 TYR B 26 -5.563 -4.694 -6.052 1.00 0.00 C ATOM 711 CE1 TYR B 26 -4.784 -2.374 -4.687 1.00 0.00 C ATOM 712 CE2 TYR B 26 -5.790 -3.435 -6.624 1.00 0.00 C ATOM 713 CZ TYR B 26 -5.401 -2.276 -5.942 1.00 0.00 C ATOM 714 OH TYR B 26 -5.624 -1.036 -6.505 1.00 0.00 O ATOM 0 H TYR B 26 -4.890 -8.401 -3.135 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.403 -5.756 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -3.670 -6.210 -3.829 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.820 -6.923 -4.943 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.077 -3.708 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.863 -5.588 -6.578 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.485 -1.479 -4.161 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.265 -3.359 -7.591 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.059 -1.146 -7.376 1.00 0.00 H new ATOM 724 N THR B 27 -7.405 -4.903 -3.696 1.00 0.00 N ATOM 725 CA THR B 27 -8.784 -4.540 -4.117 1.00 0.00 C ATOM 726 C THR B 27 -8.965 -4.836 -5.606 1.00 0.00 C ATOM 727 O THR B 27 -8.057 -5.283 -6.276 1.00 0.00 O ATOM 728 CB THR B 27 -9.005 -3.048 -3.863 1.00 0.00 C ATOM 729 OG1 THR B 27 -7.754 -2.377 -3.885 1.00 0.00 O ATOM 730 CG2 THR B 27 -9.670 -2.852 -2.500 1.00 0.00 C ATOM 0 H THR B 27 -6.757 -4.119 -3.619 1.00 0.00 H new ATOM 0 HA THR B 27 -9.506 -5.124 -3.547 1.00 0.00 H new ATOM 0 HB THR B 27 -9.651 -2.638 -4.639 1.00 0.00 H new ATOM 0 HG1 THR B 27 -7.266 -2.622 -4.699 1.00 0.00 H new ATOM 0 HG21 THR B 27 -9.826 -1.788 -2.321 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.630 -3.367 -2.486 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.028 -3.260 -1.720 1.00 0.00 H new ATOM 738 N LYS B 28 -10.136 -4.592 -6.129 1.00 0.00 N ATOM 739 CA LYS B 28 -10.379 -4.862 -7.573 1.00 0.00 C ATOM 740 C LYS B 28 -9.442 -3.990 -8.421 1.00 0.00 C ATOM 741 O LYS B 28 -8.598 -3.295 -7.892 1.00 0.00 O ATOM 742 CB LYS B 28 -11.837 -4.547 -7.907 1.00 0.00 C ATOM 743 CG LYS B 28 -12.522 -5.792 -8.473 1.00 0.00 C ATOM 744 CD LYS B 28 -13.650 -6.225 -7.535 1.00 0.00 C ATOM 745 CE LYS B 28 -14.839 -6.716 -8.362 1.00 0.00 C ATOM 746 NZ LYS B 28 -14.601 -8.124 -8.786 1.00 0.00 N ATOM 0 H LYS B 28 -10.935 -4.217 -5.617 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.181 -5.911 -7.792 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.359 -4.209 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.886 -3.734 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.921 -5.581 -9.465 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.798 -6.599 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -13.302 -7.017 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.953 -5.390 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.755 -6.652 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -14.975 -6.080 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -15.409 -8.459 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.736 -8.172 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.492 -8.726 -7.945 1.00 0.00 H new ATOM 760 N PRO B 29 -9.605 -4.077 -9.716 1.00 0.00 N ATOM 761 CA PRO B 29 -8.781 -3.336 -10.681 1.00 0.00 C ATOM 762 C PRO B 29 -9.360 -1.939 -10.926 1.00 0.00 C ATOM 763 O PRO B 29 -8.902 -1.209 -11.782 1.00 0.00 O ATOM 764 CB PRO B 29 -8.875 -4.198 -11.945 1.00 0.00 C ATOM 765 CG PRO B 29 -10.172 -5.041 -11.812 1.00 0.00 C ATOM 766 CD PRO B 29 -10.628 -4.930 -10.344 1.00 0.00 C ATOM 0 HA PRO B 29 -7.756 -3.177 -10.345 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -8.909 -3.574 -12.838 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -8.002 -4.843 -12.040 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.945 -4.670 -12.486 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.986 -6.081 -12.081 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.620 -4.486 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.679 -5.909 -9.867 1.00 0.00 H new ATOM 774 N THR B 30 -10.362 -1.561 -10.181 1.00 0.00 N ATOM 775 CA THR B 30 -10.966 -0.213 -10.375 1.00 0.00 C ATOM 776 C THR B 30 -10.988 0.535 -9.040 1.00 0.00 C ATOM 777 O THR B 30 -11.530 1.627 -9.004 1.00 0.00 O ATOM 778 CB THR B 30 -12.397 -0.366 -10.897 1.00 0.00 C ATOM 779 OG1 THR B 30 -13.087 0.868 -10.749 1.00 0.00 O ATOM 780 CG2 THR B 30 -13.120 -1.456 -10.103 1.00 0.00 C ATOM 781 OXT THR B 30 -10.464 0.002 -8.077 1.00 0.00 O ATOM 0 H THR B 30 -10.788 -2.127 -9.447 1.00 0.00 H new ATOM 0 HA THR B 30 -10.373 0.350 -11.096 1.00 0.00 H new ATOM 0 HB THR B 30 -12.372 -0.645 -11.950 1.00 0.00 H new ATOM 0 HG1 THR B 30 -12.453 1.568 -10.488 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.138 -1.563 -10.476 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.590 -2.402 -10.218 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.147 -1.181 -9.049 1.00 0.00 H new TER 789 THR B 30