USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD NoAdj-H: B 23 DAL H : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.191 (180deg=-2.46!) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.192 F(o=-0.77,f=-0.19) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.145 USER MOD Single : A 12 SER OG : rot -91:sc= 0.0658 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1 K(o=-1,f=-4!) USER MOD Single : A 18 ASN : amide:sc= 0.58 K(o=0.58,f=-0.42) USER MOD Single : A 19 TYR OH : rot -15:sc= -4.89! USER MOD Single : A 21 ASN :FLIP amide:sc= -1.69 F(o=-5.5,f=-1.7) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.891 K(o=-0.89,f=-7.9!) USER MOD Single : B 4 GLN : amide:sc= -2.99! C(o=-3!,f=-3!) USER MOD Single : B 5 HIS : no HE2:sc= -1.53! C(o=-1.5!,f=-4.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0453 USER MOD Single : B 10 HIS :FLIP no HE2:sc= -0.0372 F(o=-2.5!,f=-0.037) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 28:sc= -2.64 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 -32:sc= 0.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.096 2.950 0.004 1.00 0.00 N ATOM 2 CA GLY A 1 -8.816 2.450 0.673 1.00 0.00 C ATOM 3 C GLY A 1 -7.897 3.430 1.322 1.00 0.00 C ATOM 4 O GLY A 1 -8.327 4.378 1.949 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.261 2.415 -0.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.901 2.814 0.649 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.999 3.961 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.106 1.722 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.241 1.913 -0.081 1.00 0.00 H new ATOM 10 N ILE A 2 -6.614 3.228 1.194 1.00 0.00 N ATOM 11 CA ILE A 2 -5.644 4.169 1.819 1.00 0.00 C ATOM 12 C ILE A 2 -5.058 5.089 0.745 1.00 0.00 C ATOM 13 O ILE A 2 -4.123 5.825 0.986 1.00 0.00 O ATOM 14 CB ILE A 2 -4.521 3.368 2.484 1.00 0.00 C ATOM 15 CG1 ILE A 2 -3.757 4.271 3.455 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.559 2.839 1.417 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.680 4.674 4.607 1.00 0.00 C ATOM 0 H ILE A 2 -6.196 2.451 0.683 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.152 4.774 2.570 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.953 2.528 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.881 3.750 3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -3.396 5.159 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.762 2.270 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.101 2.193 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.128 3.676 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.138 5.317 5.300 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.542 5.212 4.212 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.019 3.780 5.131 1.00 0.00 H new ATOM 29 N VAL A 3 -5.604 5.045 -0.440 1.00 0.00 N ATOM 30 CA VAL A 3 -5.091 5.904 -1.540 1.00 0.00 C ATOM 31 C VAL A 3 -4.757 7.299 -1.006 1.00 0.00 C ATOM 32 O VAL A 3 -3.856 7.958 -1.486 1.00 0.00 O ATOM 33 CB VAL A 3 -6.169 6.019 -2.615 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.733 7.035 -3.662 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.372 4.658 -3.280 1.00 0.00 C ATOM 0 H VAL A 3 -6.389 4.445 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.187 5.460 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.104 6.344 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.502 7.118 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.587 8.006 -3.188 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.798 6.709 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.142 4.739 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.437 4.333 -3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.682 3.930 -2.531 1.00 0.00 H new ATOM 45 N GLU A 4 -5.477 7.756 -0.021 1.00 0.00 N ATOM 46 CA GLU A 4 -5.201 9.109 0.538 1.00 0.00 C ATOM 47 C GLU A 4 -3.765 9.166 1.067 1.00 0.00 C ATOM 48 O GLU A 4 -3.177 10.224 1.176 1.00 0.00 O ATOM 49 CB GLU A 4 -6.174 9.396 1.681 1.00 0.00 C ATOM 50 CG GLU A 4 -5.974 8.362 2.792 1.00 0.00 C ATOM 51 CD GLU A 4 -6.514 8.917 4.111 1.00 0.00 C ATOM 52 OE1 GLU A 4 -7.723 8.939 4.272 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.708 9.312 4.938 1.00 0.00 O ATOM 0 H GLU A 4 -6.245 7.252 0.422 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.327 9.855 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.009 10.401 2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.201 9.360 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.489 7.435 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.916 8.121 2.893 1.00 0.00 H new ATOM 60 N GLN A 5 -3.199 8.041 1.403 1.00 0.00 N ATOM 61 CA GLN A 5 -1.805 8.039 1.931 1.00 0.00 C ATOM 62 C GLN A 5 -0.840 7.523 0.860 1.00 0.00 C ATOM 63 O GLN A 5 0.297 7.945 0.784 1.00 0.00 O ATOM 64 CB GLN A 5 -1.728 7.136 3.164 1.00 0.00 C ATOM 65 CG GLN A 5 -0.743 7.731 4.173 1.00 0.00 C ATOM 66 CD GLN A 5 0.279 6.667 4.576 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.095 5.422 4.671 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 1.433 6.975 4.805 1.00 0.00 N flip ATOM 0 H GLN A 5 -3.640 7.124 1.335 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.525 9.057 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.714 7.037 3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.408 6.135 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.235 8.592 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.278 8.088 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.725 7.949 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.109 6.259 5.072 1.00 0.00 H new ATOM 77 N CYS A 6 -1.277 6.610 0.036 1.00 0.00 N ATOM 78 CA CYS A 6 -0.370 6.073 -1.019 1.00 0.00 C ATOM 79 C CYS A 6 -0.490 6.920 -2.288 1.00 0.00 C ATOM 80 O CYS A 6 0.066 6.594 -3.318 1.00 0.00 O ATOM 81 CB CYS A 6 -0.747 4.623 -1.328 1.00 0.00 C ATOM 82 SG CYS A 6 -0.071 3.544 -0.041 1.00 0.00 S ATOM 0 H CYS A 6 -2.217 6.214 0.047 1.00 0.00 H new ATOM 0 HA CYS A 6 0.659 6.111 -0.662 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.831 4.519 -1.374 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.357 4.333 -2.304 1.00 0.00 H new ATOM 87 N CYS A 7 -1.205 8.008 -2.220 1.00 0.00 N ATOM 88 CA CYS A 7 -1.354 8.879 -3.419 1.00 0.00 C ATOM 89 C CYS A 7 -1.132 10.336 -3.010 1.00 0.00 C ATOM 90 O CYS A 7 -0.113 10.927 -3.304 1.00 0.00 O ATOM 91 CB CYS A 7 -2.757 8.722 -3.993 1.00 0.00 C ATOM 92 SG CYS A 7 -2.662 8.716 -5.799 1.00 0.00 S ATOM 0 H CYS A 7 -1.693 8.332 -1.385 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.622 8.592 -4.173 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.207 7.795 -3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.396 9.537 -3.653 1.00 0.00 H new ATOM 97 N THR A 8 -2.079 10.919 -2.326 1.00 0.00 N ATOM 98 CA THR A 8 -1.920 12.333 -1.891 1.00 0.00 C ATOM 99 C THR A 8 -0.649 12.460 -1.051 1.00 0.00 C ATOM 100 O THR A 8 -0.019 13.498 -1.008 1.00 0.00 O ATOM 101 CB THR A 8 -3.131 12.746 -1.053 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.319 12.536 -1.804 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.016 14.223 -0.679 1.00 0.00 C ATOM 0 H THR A 8 -2.955 10.476 -2.050 1.00 0.00 H new ATOM 0 HA THR A 8 -1.847 12.981 -2.764 1.00 0.00 H new ATOM 0 HB THR A 8 -3.165 12.146 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.096 12.799 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.880 14.515 -0.082 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.105 14.382 -0.102 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.981 14.826 -1.586 1.00 0.00 H new ATOM 111 N SER A 9 -0.266 11.405 -0.387 1.00 0.00 N ATOM 112 CA SER A 9 0.967 11.451 0.448 1.00 0.00 C ATOM 113 C SER A 9 2.000 10.480 -0.128 1.00 0.00 C ATOM 114 O SER A 9 2.095 10.305 -1.326 1.00 0.00 O ATOM 115 CB SER A 9 0.623 11.049 1.884 1.00 0.00 C ATOM 116 OG SER A 9 -0.736 11.368 2.148 1.00 0.00 O ATOM 0 H SER A 9 -0.755 10.510 -0.387 1.00 0.00 H new ATOM 0 HA SER A 9 1.378 12.461 0.446 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.792 9.982 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.274 11.571 2.586 1.00 0.00 H new ATOM 0 HG SER A 9 -0.960 11.110 3.067 1.00 0.00 H new ATOM 122 N ILE A 10 2.775 9.845 0.709 1.00 0.00 N ATOM 123 CA ILE A 10 3.794 8.890 0.195 1.00 0.00 C ATOM 124 C ILE A 10 3.402 7.462 0.584 1.00 0.00 C ATOM 125 O ILE A 10 2.985 7.201 1.695 1.00 0.00 O ATOM 126 CB ILE A 10 5.157 9.227 0.801 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.687 10.519 0.174 1.00 0.00 C ATOM 128 CG2 ILE A 10 6.134 8.088 0.519 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.890 11.710 0.707 1.00 0.00 C ATOM 0 H ILE A 10 2.746 9.947 1.723 1.00 0.00 H new ATOM 0 HA ILE A 10 3.848 8.967 -0.891 1.00 0.00 H new ATOM 0 HB ILE A 10 5.054 9.360 1.878 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.745 10.642 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.604 10.469 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.106 8.327 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.757 7.167 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.238 7.956 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.268 12.630 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.838 11.588 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.996 11.763 1.791 1.00 0.00 H new ATOM 141 N CYS A 11 3.536 6.535 -0.325 1.00 0.00 N ATOM 142 CA CYS A 11 3.177 5.123 -0.012 1.00 0.00 C ATOM 143 C CYS A 11 4.441 4.356 0.386 1.00 0.00 C ATOM 144 O CYS A 11 5.216 3.945 -0.453 1.00 0.00 O ATOM 145 CB CYS A 11 2.554 4.470 -1.250 1.00 0.00 C ATOM 146 SG CYS A 11 1.712 2.939 -0.773 1.00 0.00 S ATOM 0 H CYS A 11 3.879 6.695 -1.272 1.00 0.00 H new ATOM 0 HA CYS A 11 2.462 5.101 0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.847 5.155 -1.718 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.327 4.257 -1.988 1.00 0.00 H new ATOM 151 N SER A 12 4.655 4.161 1.660 1.00 0.00 N ATOM 152 CA SER A 12 5.870 3.421 2.103 1.00 0.00 C ATOM 153 C SER A 12 5.620 1.918 1.980 1.00 0.00 C ATOM 154 O SER A 12 4.782 1.363 2.662 1.00 0.00 O ATOM 155 CB SER A 12 6.181 3.773 3.558 1.00 0.00 C ATOM 156 OG SER A 12 4.967 4.054 4.243 1.00 0.00 O ATOM 0 H SER A 12 4.043 4.481 2.410 1.00 0.00 H new ATOM 0 HA SER A 12 6.717 3.701 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.702 2.946 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.845 4.636 3.601 1.00 0.00 H new ATOM 0 HG SER A 12 4.772 5.013 4.184 1.00 0.00 H new ATOM 162 N LEU A 13 6.335 1.256 1.114 1.00 0.00 N ATOM 163 CA LEU A 13 6.130 -0.209 0.951 1.00 0.00 C ATOM 164 C LEU A 13 6.058 -0.867 2.328 1.00 0.00 C ATOM 165 O LEU A 13 5.426 -1.889 2.506 1.00 0.00 O ATOM 166 CB LEU A 13 7.288 -0.810 0.154 1.00 0.00 C ATOM 167 CG LEU A 13 8.575 -0.721 0.974 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.088 -2.131 1.273 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.629 0.044 0.175 1.00 0.00 C ATOM 0 H LEU A 13 7.051 1.665 0.514 1.00 0.00 H new ATOM 0 HA LEU A 13 5.198 -0.385 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.073 -1.850 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.408 -0.278 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 13 8.376 -0.201 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.006 -2.068 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.335 -2.680 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.290 -2.651 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.549 0.110 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.827 -0.479 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.264 1.048 -0.041 1.00 0.00 H new ATOM 181 N TYR A 14 6.694 -0.286 3.306 1.00 0.00 N ATOM 182 CA TYR A 14 6.651 -0.881 4.668 1.00 0.00 C ATOM 183 C TYR A 14 5.204 -0.896 5.158 1.00 0.00 C ATOM 184 O TYR A 14 4.688 -1.916 5.572 1.00 0.00 O ATOM 185 CB TYR A 14 7.504 -0.043 5.621 1.00 0.00 C ATOM 186 CG TYR A 14 7.633 -0.764 6.940 1.00 0.00 C ATOM 187 CD1 TYR A 14 7.894 -2.142 6.964 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.492 -0.059 8.141 1.00 0.00 C ATOM 189 CE1 TYR A 14 8.011 -2.812 8.188 1.00 0.00 C ATOM 190 CE2 TYR A 14 7.609 -0.728 9.366 1.00 0.00 C ATOM 191 CZ TYR A 14 7.869 -2.105 9.390 1.00 0.00 C ATOM 192 OH TYR A 14 7.985 -2.766 10.596 1.00 0.00 O ATOM 0 H TYR A 14 7.239 0.572 3.221 1.00 0.00 H new ATOM 0 HA TYR A 14 7.042 -1.898 4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.490 0.129 5.189 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.047 0.935 5.771 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.005 -2.687 6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.293 1.002 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.211 -3.873 8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.499 -0.183 10.292 1.00 0.00 H new ATOM 0 HH TYR A 14 7.861 -2.130 11.331 1.00 0.00 H new ATOM 202 N GLN A 15 4.537 0.226 5.098 1.00 0.00 N ATOM 203 CA GLN A 15 3.118 0.268 5.549 1.00 0.00 C ATOM 204 C GLN A 15 2.270 -0.539 4.571 1.00 0.00 C ATOM 205 O GLN A 15 1.317 -1.194 4.945 1.00 0.00 O ATOM 206 CB GLN A 15 2.631 1.718 5.577 1.00 0.00 C ATOM 207 CG GLN A 15 3.357 2.480 6.686 1.00 0.00 C ATOM 208 CD GLN A 15 2.909 1.950 8.049 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.071 1.072 8.127 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.434 2.447 9.133 1.00 0.00 N ATOM 0 H GLN A 15 4.913 1.111 4.757 1.00 0.00 H new ATOM 0 HA GLN A 15 3.033 -0.154 6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.816 2.193 4.614 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.555 1.748 5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.435 2.364 6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.142 3.546 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.137 3.183 9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.142 2.100 10.047 1.00 0.00 H new ATOM 219 N LEU A 16 2.618 -0.500 3.316 1.00 0.00 N ATOM 220 CA LEU A 16 1.853 -1.262 2.299 1.00 0.00 C ATOM 221 C LEU A 16 1.804 -2.736 2.686 1.00 0.00 C ATOM 222 O LEU A 16 0.795 -3.396 2.540 1.00 0.00 O ATOM 223 CB LEU A 16 2.566 -1.145 0.962 1.00 0.00 C ATOM 224 CG LEU A 16 2.131 0.131 0.258 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.825 0.194 -1.094 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.614 0.112 0.059 1.00 0.00 C ATOM 0 H LEU A 16 3.407 0.033 2.951 1.00 0.00 H new ATOM 0 HA LEU A 16 0.841 -0.863 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.645 -1.138 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.337 -2.011 0.340 1.00 0.00 H new ATOM 0 HG LEU A 16 2.399 1.002 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.525 1.103 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.905 0.198 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.542 -0.675 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.302 1.026 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.337 -0.750 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.121 0.046 1.029 1.00 0.00 H new ATOM 238 N GLU A 17 2.898 -3.264 3.158 1.00 0.00 N ATOM 239 CA GLU A 17 2.923 -4.701 3.526 1.00 0.00 C ATOM 240 C GLU A 17 1.781 -5.009 4.496 1.00 0.00 C ATOM 241 O GLU A 17 1.383 -6.146 4.659 1.00 0.00 O ATOM 242 CB GLU A 17 4.261 -5.038 4.189 1.00 0.00 C ATOM 243 CG GLU A 17 4.711 -6.433 3.752 1.00 0.00 C ATOM 244 CD GLU A 17 5.642 -7.025 4.812 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.667 -6.419 5.076 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.313 -8.073 5.342 1.00 0.00 O ATOM 0 H GLU A 17 3.773 -2.761 3.304 1.00 0.00 H new ATOM 0 HA GLU A 17 2.801 -5.303 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.012 -4.299 3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.161 -5.000 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.844 -7.079 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.225 -6.377 2.792 1.00 0.00 H new ATOM 253 N ASN A 18 1.250 -4.010 5.145 1.00 0.00 N ATOM 254 CA ASN A 18 0.137 -4.252 6.104 1.00 0.00 C ATOM 255 C ASN A 18 -1.134 -4.618 5.334 1.00 0.00 C ATOM 256 O ASN A 18 -2.113 -5.055 5.905 1.00 0.00 O ATOM 257 CB ASN A 18 -0.113 -2.986 6.926 1.00 0.00 C ATOM 258 CG ASN A 18 -0.779 -3.361 8.250 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.226 -3.134 9.308 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.954 -3.930 8.238 1.00 0.00 N ATOM 0 H ASN A 18 1.539 -3.036 5.052 1.00 0.00 H new ATOM 0 HA ASN A 18 0.406 -5.072 6.770 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.828 -2.470 7.114 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.749 -2.298 6.369 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.407 -4.183 9.116 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.419 -4.121 7.351 1.00 0.00 H new ATOM 267 N TYR A 19 -1.127 -4.443 4.041 1.00 0.00 N ATOM 268 CA TYR A 19 -2.333 -4.783 3.236 1.00 0.00 C ATOM 269 C TYR A 19 -2.236 -6.231 2.753 1.00 0.00 C ATOM 270 O TYR A 19 -3.055 -6.697 1.987 1.00 0.00 O ATOM 271 CB TYR A 19 -2.421 -3.840 2.034 1.00 0.00 C ATOM 272 CG TYR A 19 -2.671 -2.434 2.522 1.00 0.00 C ATOM 273 CD1 TYR A 19 -1.672 -1.748 3.225 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.905 -1.816 2.278 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.904 -0.445 3.682 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.139 -0.512 2.736 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.139 0.173 3.439 1.00 0.00 C ATOM 278 OH TYR A 19 -3.368 1.456 3.892 1.00 0.00 O ATOM 0 H TYR A 19 -0.338 -4.079 3.507 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.226 -4.671 3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.496 -3.879 1.458 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.225 -4.155 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.722 -2.225 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.676 -2.345 1.737 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.132 0.084 4.221 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.090 -0.036 2.547 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.686 1.696 4.553 1.00 0.00 H new ATOM 288 N CYS A 20 -1.238 -6.948 3.195 1.00 0.00 N ATOM 289 CA CYS A 20 -1.084 -8.365 2.764 1.00 0.00 C ATOM 290 C CYS A 20 -2.222 -9.204 3.351 1.00 0.00 C ATOM 291 O CYS A 20 -2.721 -8.926 4.423 1.00 0.00 O ATOM 292 CB CYS A 20 0.252 -8.901 3.274 1.00 0.00 C ATOM 293 SG CYS A 20 1.019 -9.911 1.987 1.00 0.00 S ATOM 0 H CYS A 20 -0.521 -6.611 3.838 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.114 -8.422 1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.909 -8.075 3.544 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.099 -9.494 4.175 1.00 0.00 H new ATOM 298 N ASN A 21 -2.632 -10.231 2.659 1.00 0.00 N ATOM 299 CA ASN A 21 -3.734 -11.089 3.184 1.00 0.00 C ATOM 300 C ASN A 21 -3.890 -12.323 2.291 1.00 0.00 C ATOM 301 O ASN A 21 -2.909 -12.721 1.686 1.00 0.00 O ATOM 302 CB ASN A 21 -5.042 -10.292 3.198 1.00 0.00 C ATOM 303 CG ASN A 21 -5.586 -10.164 1.773 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.940 -9.438 0.902 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -6.611 -10.731 1.449 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -4.990 -12.848 2.227 1.00 0.00 O ATOM 0 H ASN A 21 -2.253 -10.514 1.755 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.496 -11.406 4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.775 -10.789 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.871 -9.303 3.622 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.117 -11.299 2.129 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.966 -10.639 0.497 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.738 4.179 -2.470 1.00 0.00 N ATOM 315 CA PHE B 1 12.249 4.219 -2.411 1.00 0.00 C ATOM 316 C PHE B 1 11.807 5.353 -1.483 1.00 0.00 C ATOM 317 O PHE B 1 11.325 5.123 -0.392 1.00 0.00 O ATOM 318 CB PHE B 1 11.725 2.886 -1.870 1.00 0.00 C ATOM 319 CG PHE B 1 11.436 1.954 -3.024 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.607 2.375 -4.073 1.00 0.00 C ATOM 321 CD2 PHE B 1 11.995 0.671 -3.043 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.338 1.510 -5.142 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.726 -0.193 -4.114 1.00 0.00 C ATOM 324 CZ PHE B 1 10.898 0.226 -5.163 1.00 0.00 C ATOM 0 H1 PHE B 1 14.040 3.409 -3.100 1.00 0.00 H new ATOM 0 H2 PHE B 1 14.095 5.085 -2.835 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.119 4.015 -1.516 1.00 0.00 H new ATOM 0 HA PHE B 1 11.849 4.389 -3.411 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.460 2.438 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.820 3.049 -1.285 1.00 0.00 H new ATOM 0 HD1 PHE B 1 10.176 3.365 -4.057 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.633 0.347 -2.234 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.699 1.833 -5.950 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.158 -1.183 -4.130 1.00 0.00 H new ATOM 0 HZ PHE B 1 10.691 -0.440 -5.988 1.00 0.00 H new ATOM 336 N VAL B 2 11.967 6.576 -1.908 1.00 0.00 N ATOM 337 CA VAL B 2 11.554 7.721 -1.049 1.00 0.00 C ATOM 338 C VAL B 2 10.628 8.646 -1.841 1.00 0.00 C ATOM 339 O VAL B 2 10.843 8.902 -3.010 1.00 0.00 O ATOM 340 CB VAL B 2 12.795 8.498 -0.606 1.00 0.00 C ATOM 341 CG1 VAL B 2 13.401 7.830 0.629 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.824 8.500 -1.739 1.00 0.00 C ATOM 0 H VAL B 2 12.365 6.832 -2.812 1.00 0.00 H new ATOM 0 HA VAL B 2 11.027 7.346 -0.172 1.00 0.00 H new ATOM 0 HB VAL B 2 12.515 9.523 -0.364 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.285 8.383 0.945 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.669 7.825 1.436 1.00 0.00 H new ATOM 0 HG13 VAL B 2 13.682 6.805 0.387 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.709 9.053 -1.425 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.103 7.474 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.393 8.974 -2.621 1.00 0.00 H new ATOM 352 N ASN B 3 9.599 9.148 -1.215 1.00 0.00 N ATOM 353 CA ASN B 3 8.660 10.055 -1.934 1.00 0.00 C ATOM 354 C ASN B 3 8.145 9.362 -3.188 1.00 0.00 C ATOM 355 O ASN B 3 8.841 9.239 -4.177 1.00 0.00 O ATOM 356 CB ASN B 3 9.387 11.344 -2.324 1.00 0.00 C ATOM 357 CG ASN B 3 8.884 12.501 -1.459 1.00 0.00 C ATOM 358 OD1 ASN B 3 7.970 12.338 -0.677 1.00 0.00 O ATOM 359 ND2 ASN B 3 9.448 13.674 -1.570 1.00 0.00 N ATOM 0 H ASN B 3 9.368 8.970 -0.238 1.00 0.00 H new ATOM 0 HA ASN B 3 7.821 10.297 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.462 11.220 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.217 11.564 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.120 14.453 -0.999 1.00 0.00 H new ATOM 0 HD22 ASN B 3 10.216 13.810 -2.227 1.00 0.00 H new ATOM 366 N GLN B 4 6.931 8.898 -3.152 1.00 0.00 N ATOM 367 CA GLN B 4 6.364 8.205 -4.328 1.00 0.00 C ATOM 368 C GLN B 4 4.835 8.204 -4.226 1.00 0.00 C ATOM 369 O GLN B 4 4.247 7.395 -3.537 1.00 0.00 O ATOM 370 CB GLN B 4 6.925 6.776 -4.352 1.00 0.00 C ATOM 371 CG GLN B 4 5.849 5.768 -4.764 1.00 0.00 C ATOM 372 CD GLN B 4 6.505 4.574 -5.460 1.00 0.00 C ATOM 373 OE1 GLN B 4 7.154 4.729 -6.475 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.363 3.381 -4.952 1.00 0.00 N ATOM 0 H GLN B 4 6.305 8.972 -2.350 1.00 0.00 H new ATOM 0 HA GLN B 4 6.636 8.711 -5.254 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.763 6.723 -5.047 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.312 6.517 -3.366 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.296 5.432 -3.887 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.130 6.241 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.818 3.251 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.797 2.578 -5.407 1.00 0.00 H new ATOM 383 N HIS B 5 4.192 9.096 -4.921 1.00 0.00 N ATOM 384 CA HIS B 5 2.703 9.145 -4.884 1.00 0.00 C ATOM 385 C HIS B 5 2.159 8.253 -5.998 1.00 0.00 C ATOM 386 O HIS B 5 2.265 8.574 -7.165 1.00 0.00 O ATOM 387 CB HIS B 5 2.228 10.582 -5.103 1.00 0.00 C ATOM 388 CG HIS B 5 2.928 11.499 -4.138 1.00 0.00 C ATOM 389 ND1 HIS B 5 2.224 12.270 -3.240 1.00 0.00 N ATOM 390 CD2 HIS B 5 4.258 11.755 -3.944 1.00 0.00 C ATOM 391 CE1 HIS B 5 3.130 12.966 -2.537 1.00 0.00 C ATOM 392 NE2 HIS B 5 4.388 12.682 -2.933 1.00 0.00 N ATOM 0 H HIS B 5 4.633 9.797 -5.516 1.00 0.00 H new ATOM 0 HA HIS B 5 2.344 8.797 -3.915 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.434 10.891 -6.128 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.149 10.644 -4.962 1.00 0.00 H new ATOM 0 HD1 HIS B 5 1.210 12.305 -3.131 1.00 0.00 H new ATOM 0 HD2 HIS B 5 5.072 11.305 -4.493 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.883 13.666 -1.752 1.00 0.00 H new ATOM 400 N LEU B 6 1.596 7.125 -5.659 1.00 0.00 N ATOM 401 CA LEU B 6 1.077 6.217 -6.717 1.00 0.00 C ATOM 402 C LEU B 6 -0.422 5.963 -6.520 1.00 0.00 C ATOM 403 O LEU B 6 -0.951 6.079 -5.433 1.00 0.00 O ATOM 404 CB LEU B 6 1.833 4.889 -6.652 1.00 0.00 C ATOM 405 CG LEU B 6 3.012 4.909 -7.634 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.692 6.281 -7.618 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.025 3.844 -7.221 1.00 0.00 C ATOM 0 H LEU B 6 1.474 6.796 -4.701 1.00 0.00 H new ATOM 0 HA LEU B 6 1.226 6.684 -7.690 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.196 4.717 -5.639 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.161 4.066 -6.894 1.00 0.00 H new ATOM 0 HG LEU B 6 2.642 4.707 -8.639 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.527 6.282 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.973 7.047 -7.909 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.061 6.493 -6.614 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.866 3.853 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.384 4.054 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.550 2.863 -7.239 1.00 0.00 H new ATOM 419 N CYS B 7 -1.097 5.607 -7.577 1.00 0.00 N ATOM 420 CA CYS B 7 -2.558 5.327 -7.496 1.00 0.00 C ATOM 421 C CYS B 7 -2.920 4.216 -8.479 1.00 0.00 C ATOM 422 O CYS B 7 -2.062 3.541 -9.009 1.00 0.00 O ATOM 423 CB CYS B 7 -3.351 6.589 -7.843 1.00 0.00 C ATOM 424 SG CYS B 7 -4.019 7.326 -6.334 1.00 0.00 S ATOM 0 H CYS B 7 -0.692 5.497 -8.507 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.805 5.014 -6.481 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.707 7.305 -8.354 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.162 6.343 -8.528 1.00 0.00 H new ATOM 429 N GLY B 8 -4.188 4.027 -8.723 1.00 0.00 N ATOM 430 CA GLY B 8 -4.626 2.965 -9.673 1.00 0.00 C ATOM 431 C GLY B 8 -3.769 1.712 -9.487 1.00 0.00 C ATOM 432 O GLY B 8 -3.198 1.488 -8.438 1.00 0.00 O ATOM 0 H GLY B 8 -4.944 4.566 -8.302 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.676 2.726 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.541 3.325 -10.698 1.00 0.00 H new ATOM 436 N SER B 9 -3.674 0.896 -10.500 1.00 0.00 N ATOM 437 CA SER B 9 -2.855 -0.342 -10.384 1.00 0.00 C ATOM 438 C SER B 9 -1.421 0.026 -9.994 1.00 0.00 C ATOM 439 O SER B 9 -0.684 -0.779 -9.463 1.00 0.00 O ATOM 440 CB SER B 9 -2.845 -1.075 -11.723 1.00 0.00 C ATOM 441 OG SER B 9 -2.889 -0.124 -12.780 1.00 0.00 O ATOM 0 H SER B 9 -4.128 1.033 -11.403 1.00 0.00 H new ATOM 0 HA SER B 9 -3.285 -0.989 -9.619 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.948 -1.689 -11.808 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.700 -1.748 -11.788 1.00 0.00 H new ATOM 0 HG SER B 9 -2.881 -0.592 -13.641 1.00 0.00 H new ATOM 447 N HIS B 10 -1.019 1.238 -10.263 1.00 0.00 N ATOM 448 CA HIS B 10 0.373 1.660 -9.921 1.00 0.00 C ATOM 449 C HIS B 10 0.600 1.557 -8.412 1.00 0.00 C ATOM 450 O HIS B 10 1.518 0.903 -7.960 1.00 0.00 O ATOM 451 CB HIS B 10 0.608 3.109 -10.361 1.00 0.00 C ATOM 452 CG HIS B 10 -0.193 3.407 -11.599 1.00 0.00 C ATOM 453 ND1 HIS B 10 -1.441 3.945 -11.751 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.300 3.140 -12.858 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.731 4.017 -13.098 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.647 3.519 -13.729 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.593 1.956 -10.705 1.00 0.00 H new ATOM 0 HA HIS B 10 1.069 1.002 -10.441 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.323 3.792 -9.560 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.668 3.271 -10.556 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -2.056 4.244 -10.994 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.261 2.710 -13.097 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.636 4.393 -13.552 1.00 0.00 H new ATOM 464 N LEU B 11 -0.214 2.205 -7.627 1.00 0.00 N ATOM 465 CA LEU B 11 -0.015 2.146 -6.154 1.00 0.00 C ATOM 466 C LEU B 11 -0.114 0.693 -5.673 1.00 0.00 C ATOM 467 O LEU B 11 0.537 0.303 -4.724 1.00 0.00 O ATOM 468 CB LEU B 11 -1.048 3.034 -5.454 1.00 0.00 C ATOM 469 CG LEU B 11 -2.293 2.237 -5.093 1.00 0.00 C ATOM 470 CD1 LEU B 11 -2.223 1.826 -3.626 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.510 3.112 -5.314 1.00 0.00 C ATOM 0 H LEU B 11 -1.004 2.770 -7.940 1.00 0.00 H new ATOM 0 HA LEU B 11 0.978 2.519 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.612 3.464 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.319 3.865 -6.105 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.358 1.344 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.114 1.255 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.338 1.212 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.167 2.717 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.411 2.554 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.441 3.997 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.555 3.415 -6.360 1.00 0.00 H new ATOM 483 N VAL B 12 -0.898 -0.125 -6.329 1.00 0.00 N ATOM 484 CA VAL B 12 -0.983 -1.549 -5.896 1.00 0.00 C ATOM 485 C VAL B 12 0.168 -2.313 -6.527 1.00 0.00 C ATOM 486 O VAL B 12 0.730 -3.198 -5.923 1.00 0.00 O ATOM 487 CB VAL B 12 -2.313 -2.197 -6.296 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.225 -2.250 -5.082 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.996 -1.389 -7.391 1.00 0.00 C ATOM 0 H VAL B 12 -1.473 0.127 -7.132 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.923 -1.582 -4.808 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.115 -3.202 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.173 -2.710 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.752 -2.839 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.405 -1.239 -4.718 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.938 -1.866 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.190 -0.379 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.349 -1.343 -8.267 1.00 0.00 H new ATOM 499 N GLU B 13 0.553 -1.964 -7.726 1.00 0.00 N ATOM 500 CA GLU B 13 1.702 -2.672 -8.348 1.00 0.00 C ATOM 501 C GLU B 13 2.814 -2.695 -7.309 1.00 0.00 C ATOM 502 O GLU B 13 3.614 -3.608 -7.241 1.00 0.00 O ATOM 503 CB GLU B 13 2.167 -1.929 -9.599 1.00 0.00 C ATOM 504 CG GLU B 13 1.507 -2.544 -10.835 1.00 0.00 C ATOM 505 CD GLU B 13 2.506 -3.459 -11.546 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.684 -3.368 -11.242 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.074 -4.238 -12.380 1.00 0.00 O ATOM 0 H GLU B 13 0.127 -1.230 -8.292 1.00 0.00 H new ATOM 0 HA GLU B 13 1.423 -3.682 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.909 -0.873 -9.524 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.252 -1.987 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.622 -3.110 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.173 -1.757 -11.511 1.00 0.00 H new ATOM 514 N ALA B 14 2.824 -1.702 -6.459 1.00 0.00 N ATOM 515 CA ALA B 14 3.827 -1.657 -5.370 1.00 0.00 C ATOM 516 C ALA B 14 3.411 -2.711 -4.349 1.00 0.00 C ATOM 517 O ALA B 14 4.191 -3.555 -3.952 1.00 0.00 O ATOM 518 CB ALA B 14 3.828 -0.270 -4.725 1.00 0.00 C ATOM 0 H ALA B 14 2.173 -0.917 -6.478 1.00 0.00 H new ATOM 0 HA ALA B 14 4.831 -1.853 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.567 -0.242 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.077 0.480 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.841 -0.059 -4.315 1.00 0.00 H new ATOM 524 N LEU B 15 2.162 -2.695 -3.954 1.00 0.00 N ATOM 525 CA LEU B 15 1.677 -3.727 -2.998 1.00 0.00 C ATOM 526 C LEU B 15 1.870 -5.089 -3.657 1.00 0.00 C ATOM 527 O LEU B 15 2.486 -5.984 -3.115 1.00 0.00 O ATOM 528 CB LEU B 15 0.189 -3.509 -2.724 1.00 0.00 C ATOM 529 CG LEU B 15 0.025 -2.594 -1.515 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.446 -2.223 -1.358 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.503 -3.325 -0.259 1.00 0.00 C ATOM 0 H LEU B 15 1.464 -2.014 -4.253 1.00 0.00 H new ATOM 0 HA LEU B 15 2.224 -3.667 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.292 -3.067 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.302 -4.465 -2.540 1.00 0.00 H new ATOM 0 HG LEU B 15 0.616 -1.689 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.566 -1.569 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.789 -1.707 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.036 -3.128 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.387 -2.674 0.607 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.090 -4.228 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.553 -3.595 -0.372 1.00 0.00 H new ATOM 543 N TYR B 16 1.355 -5.224 -4.846 1.00 0.00 N ATOM 544 CA TYR B 16 1.494 -6.493 -5.606 1.00 0.00 C ATOM 545 C TYR B 16 2.908 -7.041 -5.412 1.00 0.00 C ATOM 546 O TYR B 16 3.132 -8.236 -5.415 1.00 0.00 O ATOM 547 CB TYR B 16 1.261 -6.188 -7.086 1.00 0.00 C ATOM 548 CG TYR B 16 0.310 -7.196 -7.674 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.443 -8.550 -7.355 1.00 0.00 C ATOM 550 CD2 TYR B 16 -0.707 -6.773 -8.539 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.444 -9.487 -7.898 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.596 -7.708 -9.084 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.465 -9.067 -8.763 1.00 0.00 C ATOM 554 OH TYR B 16 -2.339 -9.990 -9.300 1.00 0.00 O ATOM 0 H TYR B 16 0.834 -4.493 -5.331 1.00 0.00 H new ATOM 0 HA TYR B 16 0.773 -7.231 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.855 -5.183 -7.199 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.208 -6.212 -7.625 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.230 -8.873 -6.690 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.806 -5.726 -8.786 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.342 -10.533 -7.651 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.381 -7.383 -9.750 1.00 0.00 H new ATOM 0 HH TYR B 16 -2.985 -9.532 -9.877 1.00 0.00 H new ATOM 564 N LEU B 17 3.865 -6.172 -5.241 1.00 0.00 N ATOM 565 CA LEU B 17 5.266 -6.624 -5.046 1.00 0.00 C ATOM 566 C LEU B 17 5.557 -6.742 -3.548 1.00 0.00 C ATOM 567 O LEU B 17 6.304 -7.597 -3.118 1.00 0.00 O ATOM 568 CB LEU B 17 6.214 -5.601 -5.672 1.00 0.00 C ATOM 569 CG LEU B 17 7.626 -6.175 -5.693 1.00 0.00 C ATOM 570 CD1 LEU B 17 8.136 -6.230 -7.133 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.549 -5.288 -4.855 1.00 0.00 C ATOM 0 H LEU B 17 3.733 -5.161 -5.228 1.00 0.00 H new ATOM 0 HA LEU B 17 5.410 -7.595 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.891 -5.360 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.194 -4.672 -5.102 1.00 0.00 H new ATOM 0 HG LEU B 17 7.614 -7.182 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.146 -6.641 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.479 -6.864 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.148 -5.224 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.559 -5.698 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.560 -4.280 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.186 -5.253 -3.828 1.00 0.00 H new ATOM 583 N VAL B 18 4.972 -5.890 -2.750 1.00 0.00 N ATOM 584 CA VAL B 18 5.217 -5.957 -1.283 1.00 0.00 C ATOM 585 C VAL B 18 4.987 -7.392 -0.802 1.00 0.00 C ATOM 586 O VAL B 18 5.798 -7.966 -0.103 1.00 0.00 O ATOM 587 CB VAL B 18 4.268 -4.984 -0.558 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.967 -5.684 -0.146 1.00 0.00 C ATOM 589 CG2 VAL B 18 4.962 -4.440 0.692 1.00 0.00 C ATOM 0 H VAL B 18 4.336 -5.152 -3.051 1.00 0.00 H new ATOM 0 HA VAL B 18 6.245 -5.669 -1.062 1.00 0.00 H new ATOM 0 HB VAL B 18 4.022 -4.171 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.317 -4.973 0.363 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.462 -6.066 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.196 -6.512 0.525 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.294 -3.751 1.208 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.215 -5.266 1.356 1.00 0.00 H new ATOM 0 HG23 VAL B 18 5.872 -3.915 0.403 1.00 0.00 H new ATOM 599 N CYS B 19 3.880 -7.973 -1.176 1.00 0.00 N ATOM 600 CA CYS B 19 3.587 -9.366 -0.746 1.00 0.00 C ATOM 601 C CYS B 19 4.308 -10.346 -1.674 1.00 0.00 C ATOM 602 O CYS B 19 5.201 -11.063 -1.265 1.00 0.00 O ATOM 603 CB CYS B 19 2.080 -9.613 -0.820 1.00 0.00 C ATOM 604 SG CYS B 19 1.247 -8.627 0.447 1.00 0.00 S ATOM 0 H CYS B 19 3.166 -7.541 -1.762 1.00 0.00 H new ATOM 0 HA CYS B 19 3.931 -9.512 0.278 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.705 -9.347 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.866 -10.671 -0.672 1.00 0.00 H new HETATM 609 N DAL B 20 3.933 -10.377 -2.922 1.00 0.00 N HETATM 610 CA DAL B 20 4.597 -11.304 -3.880 1.00 0.00 C HETATM 611 CB DAL B 20 4.163 -10.956 -5.307 1.00 0.00 C HETATM 612 C DAL B 20 4.212 -12.750 -3.556 1.00 0.00 C HETATM 613 O DAL B 20 4.801 -13.383 -2.702 1.00 0.00 O HETATM 0 HB3 DAL B 20 3.081 -11.057 -5.393 1.00 0.00 H new HETATM 0 HB2 DAL B 20 4.451 -9.930 -5.535 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.648 -11.633 -6.010 1.00 0.00 H new HETATM 0 HA DAL B 20 5.679 -11.199 -3.795 1.00 0.00 H new HETATM 0 H DAL B 20 3.302 -9.654 -3.267 1.00 0.00 H new ATOM 619 N GLU B 21 3.233 -13.281 -4.235 1.00 0.00 N ATOM 620 CA GLU B 21 2.814 -14.687 -3.973 1.00 0.00 C ATOM 621 C GLU B 21 1.975 -14.756 -2.697 1.00 0.00 C ATOM 622 O GLU B 21 2.118 -15.659 -1.894 1.00 0.00 O ATOM 623 CB GLU B 21 4.054 -15.571 -3.820 1.00 0.00 C ATOM 624 CG GLU B 21 3.774 -16.954 -4.414 1.00 0.00 C ATOM 625 CD GLU B 21 4.464 -18.023 -3.565 1.00 0.00 C ATOM 626 OE1 GLU B 21 5.665 -17.915 -3.373 1.00 0.00 O ATOM 627 OE2 GLU B 21 3.782 -18.930 -3.121 1.00 0.00 O ATOM 0 H GLU B 21 2.703 -12.800 -4.962 1.00 0.00 H new ATOM 0 HA GLU B 21 2.215 -15.041 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.905 -15.113 -4.325 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.320 -15.663 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.700 -17.137 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.136 -17.000 -5.441 1.00 0.00 H new ATOM 634 N ARG B 22 1.092 -13.818 -2.509 1.00 0.00 N ATOM 635 CA ARG B 22 0.230 -13.832 -1.293 1.00 0.00 C ATOM 636 C ARG B 22 -1.187 -13.435 -1.697 1.00 0.00 C ATOM 637 O ARG B 22 -2.129 -14.181 -1.515 1.00 0.00 O ATOM 638 CB ARG B 22 0.773 -12.838 -0.268 1.00 0.00 C ATOM 639 CG ARG B 22 2.300 -12.922 -0.233 1.00 0.00 C ATOM 640 CD ARG B 22 2.809 -12.467 1.136 1.00 0.00 C ATOM 641 NE ARG B 22 3.600 -13.563 1.761 1.00 0.00 N ATOM 642 CZ ARG B 22 4.737 -13.298 2.342 1.00 0.00 C ATOM 643 NH1 ARG B 22 4.755 -12.845 3.566 1.00 0.00 N ATOM 644 NH2 ARG B 22 5.859 -13.483 1.699 1.00 0.00 N ATOM 0 H ARG B 22 0.928 -13.039 -3.146 1.00 0.00 H new ATOM 0 HA ARG B 22 0.224 -14.828 -0.850 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.460 -11.826 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.364 -13.057 0.718 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.622 -13.944 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.727 -12.296 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.426 -11.575 1.028 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.969 -12.199 1.777 1.00 0.00 H new ATOM 0 HE ARG B 22 3.252 -14.522 1.735 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.880 -12.698 4.068 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.645 -12.638 4.020 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.846 -13.835 0.742 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.748 -13.275 2.154 1.00 0.00 H new HETATM 658 N DAL B 23 -1.341 -12.271 -2.262 1.00 0.00 N HETATM 659 CA DAL B 23 -2.692 -11.825 -2.699 1.00 0.00 C HETATM 660 CB DAL B 23 -2.633 -11.435 -4.175 1.00 0.00 C HETATM 661 C DAL B 23 -3.136 -10.615 -1.882 1.00 0.00 C HETATM 662 O DAL B 23 -4.169 -10.632 -1.241 1.00 0.00 O HETATM 0 HB3 DAL B 23 -1.917 -10.624 -4.309 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.321 -12.296 -4.767 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.619 -11.107 -4.504 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.403 -12.637 -2.550 1.00 0.00 H new ATOM 668 N PHE B 24 -2.374 -9.558 -1.910 1.00 0.00 N ATOM 669 CA PHE B 24 -2.767 -8.340 -1.146 1.00 0.00 C ATOM 670 C PHE B 24 -4.197 -7.950 -1.540 1.00 0.00 C ATOM 671 O PHE B 24 -4.864 -8.659 -2.268 1.00 0.00 O ATOM 672 CB PHE B 24 -1.807 -7.193 -1.491 1.00 0.00 C ATOM 673 CG PHE B 24 -2.163 -6.626 -2.847 1.00 0.00 C ATOM 674 CD1 PHE B 24 -3.116 -5.602 -2.948 1.00 0.00 C ATOM 675 CD2 PHE B 24 -1.558 -7.134 -4.001 1.00 0.00 C ATOM 676 CE1 PHE B 24 -3.463 -5.090 -4.204 1.00 0.00 C ATOM 677 CE2 PHE B 24 -1.902 -6.619 -5.258 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.855 -5.598 -5.358 1.00 0.00 C ATOM 0 H PHE B 24 -1.498 -9.484 -2.427 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.720 -8.539 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.868 -6.413 -0.732 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.779 -7.554 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -3.582 -5.208 -2.057 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.825 -7.924 -3.923 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.199 -4.304 -4.282 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.432 -7.009 -6.149 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.121 -5.202 -6.327 1.00 0.00 H new ATOM 688 N PHE B 25 -4.672 -6.826 -1.078 1.00 0.00 N ATOM 689 CA PHE B 25 -6.049 -6.399 -1.445 1.00 0.00 C ATOM 690 C PHE B 25 -6.141 -4.873 -1.417 1.00 0.00 C ATOM 691 O PHE B 25 -5.888 -4.242 -0.410 1.00 0.00 O ATOM 692 CB PHE B 25 -7.047 -6.992 -0.453 1.00 0.00 C ATOM 693 CG PHE B 25 -6.853 -6.362 0.905 1.00 0.00 C ATOM 694 CD1 PHE B 25 -5.688 -6.621 1.637 1.00 0.00 C ATOM 695 CD2 PHE B 25 -7.842 -5.521 1.434 1.00 0.00 C ATOM 696 CE1 PHE B 25 -5.509 -6.038 2.900 1.00 0.00 C ATOM 697 CE2 PHE B 25 -7.664 -4.941 2.697 1.00 0.00 C ATOM 698 CZ PHE B 25 -6.498 -5.200 3.429 1.00 0.00 C ATOM 0 H PHE B 25 -4.167 -6.187 -0.464 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.282 -6.753 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.066 -6.821 -0.801 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.910 -8.071 -0.386 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -4.927 -7.270 1.229 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.740 -5.320 0.869 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.609 -6.235 3.464 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.426 -4.294 3.106 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.362 -4.753 4.403 1.00 0.00 H new ATOM 708 N TYR B 26 -6.499 -4.275 -2.521 1.00 0.00 N ATOM 709 CA TYR B 26 -6.608 -2.791 -2.565 1.00 0.00 C ATOM 710 C TYR B 26 -7.943 -2.390 -3.195 1.00 0.00 C ATOM 711 O TYR B 26 -8.316 -2.877 -4.243 1.00 0.00 O ATOM 712 CB TYR B 26 -5.460 -2.221 -3.396 1.00 0.00 C ATOM 713 CG TYR B 26 -5.189 -0.802 -2.967 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.309 -0.546 -1.908 1.00 0.00 C ATOM 715 CD2 TYR B 26 -5.819 0.260 -3.626 1.00 0.00 C ATOM 716 CE1 TYR B 26 -4.057 0.773 -1.508 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.568 1.579 -3.228 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.687 1.837 -2.169 1.00 0.00 C ATOM 719 OH TYR B 26 -4.441 3.136 -1.777 1.00 0.00 O ATOM 0 H TYR B 26 -6.721 -4.752 -3.395 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.555 -2.395 -1.551 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.565 -2.829 -3.266 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.714 -2.250 -4.456 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.824 -1.366 -1.399 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.499 0.062 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.378 0.970 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.054 2.398 -3.738 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.545 3.195 -1.385 1.00 0.00 H new ATOM 729 N THR B 27 -8.664 -1.507 -2.564 1.00 0.00 N ATOM 730 CA THR B 27 -9.976 -1.074 -3.125 1.00 0.00 C ATOM 731 C THR B 27 -10.129 0.440 -2.955 1.00 0.00 C ATOM 732 O THR B 27 -9.930 0.977 -1.884 1.00 0.00 O ATOM 733 CB THR B 27 -11.108 -1.786 -2.384 1.00 0.00 C ATOM 734 OG1 THR B 27 -12.355 -1.396 -2.940 1.00 0.00 O ATOM 735 CG2 THR B 27 -11.063 -1.407 -0.906 1.00 0.00 C ATOM 0 H THR B 27 -8.402 -1.065 -1.683 1.00 0.00 H new ATOM 0 HA THR B 27 -10.019 -1.328 -4.184 1.00 0.00 H new ATOM 0 HB THR B 27 -10.990 -2.865 -2.484 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.081 -1.853 -2.467 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.869 -1.914 -0.376 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.105 -1.708 -0.482 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.183 -0.328 -0.803 1.00 0.00 H new ATOM 743 N LYS B 28 -10.484 1.133 -4.003 1.00 0.00 N ATOM 744 CA LYS B 28 -10.648 2.610 -3.898 1.00 0.00 C ATOM 745 C LYS B 28 -11.782 2.928 -2.919 1.00 0.00 C ATOM 746 O LYS B 28 -12.714 2.160 -2.781 1.00 0.00 O ATOM 747 CB LYS B 28 -10.988 3.184 -5.276 1.00 0.00 C ATOM 748 CG LYS B 28 -9.982 2.669 -6.305 1.00 0.00 C ATOM 749 CD LYS B 28 -10.112 3.475 -7.599 1.00 0.00 C ATOM 750 CE LYS B 28 -9.367 4.803 -7.449 1.00 0.00 C ATOM 751 NZ LYS B 28 -9.255 5.464 -8.780 1.00 0.00 N ATOM 0 H LYS B 28 -10.667 0.740 -4.926 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.721 3.055 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -11.999 2.894 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.966 4.273 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.969 2.754 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.159 1.612 -6.504 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -9.703 2.909 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.163 3.658 -7.822 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.897 5.453 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.375 4.630 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -8.749 6.367 -8.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.732 4.845 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.206 5.642 -9.160 1.00 0.00 H new ATOM 765 N PRO B 29 -11.666 4.057 -2.266 1.00 0.00 N ATOM 766 CA PRO B 29 -12.666 4.513 -1.286 1.00 0.00 C ATOM 767 C PRO B 29 -13.890 5.094 -2.000 1.00 0.00 C ATOM 768 O PRO B 29 -14.888 5.409 -1.384 1.00 0.00 O ATOM 769 CB PRO B 29 -11.927 5.599 -0.497 1.00 0.00 C ATOM 770 CG PRO B 29 -10.778 6.093 -1.409 1.00 0.00 C ATOM 771 CD PRO B 29 -10.528 4.981 -2.445 1.00 0.00 C ATOM 0 HA PRO B 29 -13.039 3.710 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -12.599 6.418 -0.240 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.536 5.201 0.440 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -11.049 7.027 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -9.878 6.289 -0.826 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -10.495 5.381 -3.458 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.576 4.480 -2.269 1.00 0.00 H new ATOM 779 N THR B 30 -13.822 5.233 -3.295 1.00 0.00 N ATOM 780 CA THR B 30 -14.982 5.791 -4.044 1.00 0.00 C ATOM 781 C THR B 30 -15.165 5.019 -5.352 1.00 0.00 C ATOM 782 O THR B 30 -14.258 4.290 -5.719 1.00 0.00 O ATOM 783 CB THR B 30 -14.727 7.266 -4.355 1.00 0.00 C ATOM 784 OG1 THR B 30 -15.929 7.864 -4.820 1.00 0.00 O ATOM 785 CG2 THR B 30 -13.647 7.382 -5.429 1.00 0.00 C ATOM 786 OXT THR B 30 -16.210 5.169 -5.966 1.00 0.00 O ATOM 0 H THR B 30 -13.014 4.985 -3.866 1.00 0.00 H new ATOM 0 HA THR B 30 -15.883 5.698 -3.438 1.00 0.00 H new ATOM 0 HB THR B 30 -14.393 7.777 -3.452 1.00 0.00 H new ATOM 0 HG1 THR B 30 -16.458 7.199 -5.308 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.466 8.434 -5.650 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.726 6.923 -5.070 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.978 6.873 -6.334 1.00 0.00 H new TER 794 THR B 30