USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 381 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 21 ASN : amide:sc= 0.999 K(o=2.2,f=-3) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 12 SER OG : rot 180:sc= 0.219 USER MOD Set 2.2: B 1 PHE N :NH3+ -160:sc= 0.271 (180deg=0) USER MOD Set 3.1: A 1 GLY N :NH3+ -166:sc= 0.063 (180deg=0) USER MOD Set 3.2: A 19 TYR OH : rot 180:sc= 0.063 USER MOD Single : A 5 GLN : amide:sc= 0.385 X(o=0.39,f=-0.052) USER MOD Single : A 8 THR OG1 : rot -179:sc= 1.04 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0393 K(o=-0.039,f=-0.66) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.771 K(o=0.77,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.781 K(o=0.78,f=-2.5!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -3:sc= 0.157 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.616 2.713 -1.345 1.00 0.00 N ATOM 2 CA GLY A 1 3.042 2.705 -2.711 1.00 0.00 C ATOM 3 C GLY A 1 4.093 2.309 -3.725 1.00 0.00 C ATOM 4 O GLY A 1 5.225 2.784 -3.648 1.00 0.00 O ATOM 0 H1 GLY A 1 2.847 2.751 -0.646 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.175 1.849 -1.198 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.229 3.545 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.204 2.009 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.649 3.693 -2.953 1.00 0.00 H new ATOM 10 N ILE A 2 3.742 1.451 -4.689 1.00 0.00 N ATOM 11 CA ILE A 2 4.700 0.824 -5.618 1.00 0.00 C ATOM 12 C ILE A 2 5.526 1.848 -6.408 1.00 0.00 C ATOM 13 O ILE A 2 6.722 1.650 -6.586 1.00 0.00 O ATOM 14 CB ILE A 2 3.977 -0.191 -6.529 1.00 0.00 C ATOM 15 CG1 ILE A 2 4.939 -1.034 -7.386 1.00 0.00 C ATOM 16 CG2 ILE A 2 3.023 0.509 -7.507 1.00 0.00 C ATOM 17 CD1 ILE A 2 5.788 -2.065 -6.662 1.00 0.00 C ATOM 0 H ILE A 2 2.776 1.167 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 2 5.429 0.277 -5.021 1.00 0.00 H new ATOM 0 HB ILE A 2 3.437 -0.839 -5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.351 -1.552 -8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.609 -0.353 -7.912 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.532 -0.236 -8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.271 1.065 -6.947 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.588 1.196 -8.137 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.419 -2.587 -7.382 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.416 -1.566 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.139 -2.783 -6.160 1.00 0.00 H new ATOM 29 N VAL A 3 4.944 2.976 -6.834 1.00 0.00 N ATOM 30 CA VAL A 3 5.653 3.962 -7.672 1.00 0.00 C ATOM 31 C VAL A 3 6.703 4.721 -6.852 1.00 0.00 C ATOM 32 O VAL A 3 7.844 4.873 -7.291 1.00 0.00 O ATOM 33 CB VAL A 3 4.659 4.921 -8.354 1.00 0.00 C ATOM 34 CG1 VAL A 3 5.378 5.889 -9.299 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.623 4.154 -9.192 1.00 0.00 C ATOM 0 H VAL A 3 3.982 3.233 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 3 6.180 3.425 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 3 4.166 5.468 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.649 6.552 -9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.098 6.481 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.899 5.324 -10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.937 4.861 -9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.134 3.579 -9.965 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.062 3.477 -8.547 1.00 0.00 H new ATOM 45 N GLU A 4 6.353 5.125 -5.632 1.00 0.00 N ATOM 46 CA GLU A 4 7.246 5.838 -4.706 1.00 0.00 C ATOM 47 C GLU A 4 8.289 4.903 -4.045 1.00 0.00 C ATOM 48 O GLU A 4 9.277 5.361 -3.467 1.00 0.00 O ATOM 49 CB GLU A 4 6.383 6.571 -3.661 1.00 0.00 C ATOM 50 CG GLU A 4 7.085 7.757 -2.982 1.00 0.00 C ATOM 51 CD GLU A 4 7.358 8.919 -3.960 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.400 9.649 -4.321 1.00 0.00 O ATOM 53 OE2 GLU A 4 8.529 9.119 -4.357 1.00 0.00 O ATOM 0 H GLU A 4 5.422 4.965 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 4 7.831 6.564 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.474 6.930 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.077 5.858 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.469 8.117 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.028 7.419 -2.551 1.00 0.00 H new ATOM 60 N GLN A 5 8.087 3.583 -4.130 1.00 0.00 N ATOM 61 CA GLN A 5 9.023 2.569 -3.639 1.00 0.00 C ATOM 62 C GLN A 5 9.955 2.030 -4.740 1.00 0.00 C ATOM 63 O GLN A 5 11.145 1.861 -4.478 1.00 0.00 O ATOM 64 CB GLN A 5 8.230 1.457 -2.937 1.00 0.00 C ATOM 65 CG GLN A 5 9.109 0.381 -2.282 1.00 0.00 C ATOM 66 CD GLN A 5 10.077 0.911 -1.225 1.00 0.00 C ATOM 67 OE1 GLN A 5 9.778 0.972 -0.042 1.00 0.00 O ATOM 68 NE2 GLN A 5 11.278 1.302 -1.592 1.00 0.00 N ATOM 0 H GLN A 5 7.249 3.183 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 5 9.693 3.034 -2.916 1.00 0.00 H new ATOM 0 HB2 GLN A 5 7.593 1.905 -2.174 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.571 0.981 -3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.463 -0.367 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.681 -0.125 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.550 1.260 -2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.937 1.647 -0.894 1.00 0.00 H new ATOM 77 N CYS A 6 9.437 1.760 -5.944 1.00 0.00 N ATOM 78 CA CYS A 6 10.149 1.075 -7.028 1.00 0.00 C ATOM 79 C CYS A 6 10.594 1.979 -8.185 1.00 0.00 C ATOM 80 O CYS A 6 11.617 1.683 -8.799 1.00 0.00 O ATOM 81 CB CYS A 6 9.284 -0.079 -7.563 1.00 0.00 C ATOM 82 SG CYS A 6 9.180 -1.548 -6.504 1.00 0.00 S ATOM 0 H CYS A 6 8.484 2.020 -6.198 1.00 0.00 H new ATOM 0 HA CYS A 6 11.073 0.702 -6.586 1.00 0.00 H new ATOM 0 HB2 CYS A 6 8.275 0.297 -7.730 1.00 0.00 H new ATOM 0 HB3 CYS A 6 9.676 -0.382 -8.534 1.00 0.00 H new ATOM 87 N CYS A 7 9.877 3.061 -8.510 1.00 0.00 N ATOM 88 CA CYS A 7 10.240 3.923 -9.643 1.00 0.00 C ATOM 89 C CYS A 7 11.113 5.111 -9.199 1.00 0.00 C ATOM 90 O CYS A 7 12.166 5.359 -9.792 1.00 0.00 O ATOM 91 CB CYS A 7 8.985 4.340 -10.416 1.00 0.00 C ATOM 92 SG CYS A 7 9.304 5.414 -11.845 1.00 0.00 S ATOM 0 H CYS A 7 9.043 3.361 -8.006 1.00 0.00 H new ATOM 0 HA CYS A 7 10.862 3.354 -10.334 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.470 3.443 -10.759 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.308 4.855 -9.734 1.00 0.00 H new ATOM 97 N THR A 8 10.738 5.813 -8.124 1.00 0.00 N ATOM 98 CA THR A 8 11.512 6.953 -7.587 1.00 0.00 C ATOM 99 C THR A 8 12.675 6.544 -6.666 1.00 0.00 C ATOM 100 O THR A 8 13.541 7.370 -6.359 1.00 0.00 O ATOM 101 CB THR A 8 10.611 7.945 -6.834 1.00 0.00 C ATOM 102 OG1 THR A 8 10.099 7.336 -5.679 1.00 0.00 O ATOM 103 CG2 THR A 8 9.426 8.439 -7.671 1.00 0.00 C ATOM 0 H THR A 8 9.889 5.611 -7.596 1.00 0.00 H new ATOM 0 HA THR A 8 11.942 7.429 -8.468 1.00 0.00 H new ATOM 0 HB THR A 8 11.237 8.804 -6.593 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.507 7.963 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.830 9.136 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.796 8.943 -8.564 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.808 7.590 -7.964 1.00 0.00 H new ATOM 111 N SER A 9 12.726 5.274 -6.251 1.00 0.00 N ATOM 112 CA SER A 9 13.771 4.677 -5.406 1.00 0.00 C ATOM 113 C SER A 9 14.021 3.200 -5.780 1.00 0.00 C ATOM 114 O SER A 9 13.316 2.636 -6.615 1.00 0.00 O ATOM 115 CB SER A 9 13.365 4.807 -3.933 1.00 0.00 C ATOM 116 OG SER A 9 14.478 4.568 -3.083 1.00 0.00 O ATOM 0 H SER A 9 12.005 4.599 -6.507 1.00 0.00 H new ATOM 0 HA SER A 9 14.706 5.212 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.966 5.804 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.569 4.098 -3.706 1.00 0.00 H new ATOM 0 HG SER A 9 14.200 4.657 -2.147 1.00 0.00 H new ATOM 122 N ILE A 10 15.020 2.564 -5.164 1.00 0.00 N ATOM 123 CA ILE A 10 15.287 1.118 -5.285 1.00 0.00 C ATOM 124 C ILE A 10 14.275 0.318 -4.448 1.00 0.00 C ATOM 125 O ILE A 10 13.931 0.720 -3.332 1.00 0.00 O ATOM 126 CB ILE A 10 16.756 0.796 -4.910 1.00 0.00 C ATOM 127 CG1 ILE A 10 17.696 1.403 -5.978 1.00 0.00 C ATOM 128 CG2 ILE A 10 16.996 -0.722 -4.767 1.00 0.00 C ATOM 129 CD1 ILE A 10 19.193 1.259 -5.682 1.00 0.00 C ATOM 0 H ILE A 10 15.682 3.044 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 10 15.157 0.816 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 10 16.970 1.240 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 10 17.484 0.931 -6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 10 17.463 2.462 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 10 18.038 -0.902 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.350 -1.120 -3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.770 -1.217 -5.712 1.00 0.00 H new ATOM 0 HD11 ILE A 10 19.769 1.715 -6.488 1.00 0.00 H new ATOM 0 HD12 ILE A 10 19.427 1.757 -4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 10 19.449 0.202 -5.606 1.00 0.00 H new ATOM 141 N CYS A 11 13.842 -0.843 -4.954 1.00 0.00 N ATOM 142 CA CYS A 11 13.000 -1.800 -4.229 1.00 0.00 C ATOM 143 C CYS A 11 13.480 -3.257 -4.383 1.00 0.00 C ATOM 144 O CYS A 11 14.426 -3.541 -5.126 1.00 0.00 O ATOM 145 CB CYS A 11 11.544 -1.615 -4.669 1.00 0.00 C ATOM 146 SG CYS A 11 11.094 -2.219 -6.313 1.00 0.00 S ATOM 0 H CYS A 11 14.073 -1.149 -5.899 1.00 0.00 H new ATOM 0 HA CYS A 11 13.078 -1.592 -3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 11 10.905 -2.113 -3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.310 -0.551 -4.624 1.00 0.00 H new ATOM 151 N SER A 12 12.835 -4.168 -3.650 1.00 0.00 N ATOM 152 CA SER A 12 13.125 -5.611 -3.628 1.00 0.00 C ATOM 153 C SER A 12 11.837 -6.432 -3.498 1.00 0.00 C ATOM 154 O SER A 12 10.761 -5.899 -3.215 1.00 0.00 O ATOM 155 CB SER A 12 14.055 -5.927 -2.449 1.00 0.00 C ATOM 156 OG SER A 12 14.609 -7.234 -2.558 1.00 0.00 O ATOM 0 H SER A 12 12.066 -3.915 -3.030 1.00 0.00 H new ATOM 0 HA SER A 12 13.608 -5.879 -4.568 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.859 -5.192 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.501 -5.842 -1.514 1.00 0.00 H new ATOM 0 HG SER A 12 15.198 -7.405 -1.793 1.00 0.00 H new ATOM 162 N LEU A 13 11.965 -7.751 -3.629 1.00 0.00 N ATOM 163 CA LEU A 13 10.966 -8.790 -3.351 1.00 0.00 C ATOM 164 C LEU A 13 10.174 -8.514 -2.063 1.00 0.00 C ATOM 165 O LEU A 13 8.945 -8.599 -2.052 1.00 0.00 O ATOM 166 CB LEU A 13 11.754 -10.116 -3.248 1.00 0.00 C ATOM 167 CG LEU A 13 10.961 -11.358 -2.799 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.873 -11.721 -3.808 1.00 0.00 C ATOM 169 CD2 LEU A 13 11.912 -12.550 -2.676 1.00 0.00 C ATOM 0 H LEU A 13 12.840 -8.157 -3.959 1.00 0.00 H new ATOM 0 HA LEU A 13 10.218 -8.823 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.194 -10.327 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.579 -9.969 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 13 10.495 -11.127 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.333 -12.602 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.179 -10.887 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.330 -11.934 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.353 -13.430 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.378 -12.745 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.684 -12.325 -1.940 1.00 0.00 H new ATOM 181 N TYR A 14 10.874 -8.097 -1.004 1.00 0.00 N ATOM 182 CA TYR A 14 10.290 -7.871 0.327 1.00 0.00 C ATOM 183 C TYR A 14 9.358 -6.643 0.396 1.00 0.00 C ATOM 184 O TYR A 14 8.593 -6.499 1.351 1.00 0.00 O ATOM 185 CB TYR A 14 11.427 -7.776 1.352 1.00 0.00 C ATOM 186 CG TYR A 14 12.386 -8.957 1.322 1.00 0.00 C ATOM 187 CD1 TYR A 14 11.937 -10.238 1.696 1.00 0.00 C ATOM 188 CD2 TYR A 14 13.714 -8.779 0.881 1.00 0.00 C ATOM 189 CE1 TYR A 14 12.807 -11.343 1.631 1.00 0.00 C ATOM 190 CE2 TYR A 14 14.586 -9.881 0.817 1.00 0.00 C ATOM 191 CZ TYR A 14 14.139 -11.166 1.190 1.00 0.00 C ATOM 192 OH TYR A 14 14.991 -12.226 1.118 1.00 0.00 O ATOM 0 H TYR A 14 11.875 -7.904 -1.044 1.00 0.00 H new ATOM 0 HA TYR A 14 9.646 -8.719 0.558 1.00 0.00 H new ATOM 0 HB2 TYR A 14 11.989 -6.860 1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.997 -7.695 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.920 -10.374 2.034 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.061 -7.798 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.458 -12.324 1.917 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.603 -9.743 0.481 1.00 0.00 H new ATOM 0 HH TYR A 14 15.865 -11.922 0.794 1.00 0.00 H new ATOM 202 N GLN A 15 9.403 -5.772 -0.621 1.00 0.00 N ATOM 203 CA GLN A 15 8.451 -4.675 -0.832 1.00 0.00 C ATOM 204 C GLN A 15 7.434 -5.023 -1.928 1.00 0.00 C ATOM 205 O GLN A 15 6.245 -4.756 -1.771 1.00 0.00 O ATOM 206 CB GLN A 15 9.198 -3.378 -1.176 1.00 0.00 C ATOM 207 CG GLN A 15 10.114 -2.874 -0.049 1.00 0.00 C ATOM 208 CD GLN A 15 9.377 -2.454 1.226 1.00 0.00 C ATOM 209 OE1 GLN A 15 8.164 -2.282 1.277 1.00 0.00 O ATOM 210 NE2 GLN A 15 10.090 -2.269 2.319 1.00 0.00 N ATOM 0 H GLN A 15 10.125 -5.813 -1.341 1.00 0.00 H new ATOM 0 HA GLN A 15 7.899 -4.524 0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.796 -3.541 -2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.470 -2.602 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.828 -3.659 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.690 -2.025 -0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.100 -2.407 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.631 -1.988 3.186 1.00 0.00 H new ATOM 219 N LEU A 16 7.879 -5.663 -3.016 1.00 0.00 N ATOM 220 CA LEU A 16 7.041 -6.061 -4.154 1.00 0.00 C ATOM 221 C LEU A 16 5.876 -6.988 -3.748 1.00 0.00 C ATOM 222 O LEU A 16 4.752 -6.793 -4.208 1.00 0.00 O ATOM 223 CB LEU A 16 7.944 -6.708 -5.218 1.00 0.00 C ATOM 224 CG LEU A 16 8.813 -5.716 -6.017 1.00 0.00 C ATOM 225 CD1 LEU A 16 9.933 -6.430 -6.775 1.00 0.00 C ATOM 226 CD2 LEU A 16 7.974 -4.983 -7.066 1.00 0.00 C ATOM 0 H LEU A 16 8.858 -5.925 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 16 6.563 -5.171 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.598 -7.430 -4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.318 -7.265 -5.915 1.00 0.00 H new ATOM 0 HG LEU A 16 9.230 -5.022 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 16 10.524 -5.698 -7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.574 -6.955 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.500 -7.147 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.607 -4.288 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.542 -5.707 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.175 -4.431 -6.572 1.00 0.00 H new ATOM 238 N GLU A 17 6.084 -7.931 -2.823 1.00 0.00 N ATOM 239 CA GLU A 17 5.019 -8.809 -2.310 1.00 0.00 C ATOM 240 C GLU A 17 3.873 -8.071 -1.587 1.00 0.00 C ATOM 241 O GLU A 17 2.783 -8.633 -1.450 1.00 0.00 O ATOM 242 CB GLU A 17 5.619 -9.858 -1.358 1.00 0.00 C ATOM 243 CG GLU A 17 6.398 -10.923 -2.126 1.00 0.00 C ATOM 244 CD GLU A 17 6.793 -12.100 -1.209 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.743 -11.960 -0.399 1.00 0.00 O ATOM 246 OE2 GLU A 17 6.155 -13.178 -1.284 1.00 0.00 O ATOM 0 H GLU A 17 6.997 -8.110 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 17 4.578 -9.277 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.279 -9.367 -0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.821 -10.330 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.793 -11.292 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.295 -10.479 -2.558 1.00 0.00 H new ATOM 253 N ASN A 18 4.070 -6.818 -1.155 1.00 0.00 N ATOM 254 CA ASN A 18 3.052 -6.035 -0.440 1.00 0.00 C ATOM 255 C ASN A 18 1.953 -5.470 -1.364 1.00 0.00 C ATOM 256 O ASN A 18 0.980 -4.890 -0.873 1.00 0.00 O ATOM 257 CB ASN A 18 3.738 -4.920 0.374 1.00 0.00 C ATOM 258 CG ASN A 18 4.745 -5.431 1.398 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.656 -6.535 1.921 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.735 -4.638 1.742 1.00 0.00 N ATOM 0 H ASN A 18 4.947 -6.315 -1.293 1.00 0.00 H new ATOM 0 HA ASN A 18 2.534 -6.713 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.245 -4.242 -0.313 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.974 -4.338 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.417 -4.945 2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.822 -3.716 1.315 1.00 0.00 H new ATOM 267 N TYR A 19 2.087 -5.644 -2.684 1.00 0.00 N ATOM 268 CA TYR A 19 1.201 -5.054 -3.702 1.00 0.00 C ATOM 269 C TYR A 19 0.388 -6.082 -4.510 1.00 0.00 C ATOM 270 O TYR A 19 -0.407 -5.689 -5.372 1.00 0.00 O ATOM 271 CB TYR A 19 2.039 -4.131 -4.599 1.00 0.00 C ATOM 272 CG TYR A 19 2.833 -3.074 -3.848 1.00 0.00 C ATOM 273 CD1 TYR A 19 2.183 -2.102 -3.069 1.00 0.00 C ATOM 274 CD2 TYR A 19 4.234 -3.074 -3.935 1.00 0.00 C ATOM 275 CE1 TYR A 19 2.930 -1.127 -2.385 1.00 0.00 C ATOM 276 CE2 TYR A 19 4.990 -2.092 -3.268 1.00 0.00 C ATOM 277 CZ TYR A 19 4.336 -1.116 -2.482 1.00 0.00 C ATOM 278 OH TYR A 19 5.033 -0.148 -1.827 1.00 0.00 O ATOM 0 H TYR A 19 2.832 -6.212 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 19 0.435 -4.476 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.730 -4.741 -5.182 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.376 -3.634 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.106 -2.104 -2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.735 -3.833 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.425 -0.385 -1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.066 -2.084 -3.356 1.00 0.00 H new ATOM 0 HH TYR A 19 5.992 -0.271 -1.987 1.00 0.00 H new ATOM 288 N CYS A 20 0.554 -7.380 -4.237 1.00 0.00 N ATOM 289 CA CYS A 20 -0.155 -8.459 -4.936 1.00 0.00 C ATOM 290 C CYS A 20 -1.669 -8.494 -4.640 1.00 0.00 C ATOM 291 O CYS A 20 -2.137 -7.990 -3.615 1.00 0.00 O ATOM 292 CB CYS A 20 0.504 -9.811 -4.641 1.00 0.00 C ATOM 293 SG CYS A 20 2.257 -9.898 -5.086 1.00 0.00 S ATOM 0 H CYS A 20 1.192 -7.716 -3.516 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.070 -8.249 -6.002 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.400 -10.029 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.035 -10.590 -5.180 1.00 0.00 H new ATOM 298 N ASN A 21 -2.437 -9.096 -5.557 1.00 0.00 N ATOM 299 CA ASN A 21 -3.904 -9.187 -5.499 1.00 0.00 C ATOM 300 C ASN A 21 -4.408 -10.346 -4.610 1.00 0.00 C ATOM 301 O ASN A 21 -3.872 -11.474 -4.722 1.00 0.00 O ATOM 302 CB ASN A 21 -4.446 -9.257 -6.944 1.00 0.00 C ATOM 303 CG ASN A 21 -5.966 -9.259 -7.008 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.630 -8.323 -6.584 1.00 0.00 O ATOM 305 ND2 ASN A 21 -6.563 -10.305 -7.526 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.339 -10.115 -3.806 1.00 0.00 O ATOM 0 H ASN A 21 -2.045 -9.546 -6.384 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.294 -8.293 -5.012 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.065 -8.408 -7.511 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.066 -10.158 -7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.581 -10.339 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.009 -11.085 -7.879 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 16.814 -8.809 -4.156 1.00 0.00 N ATOM 315 CA PHE B 1 16.217 -8.927 -5.509 1.00 0.00 C ATOM 316 C PHE B 1 16.404 -7.610 -6.270 1.00 0.00 C ATOM 317 O PHE B 1 16.095 -6.554 -5.725 1.00 0.00 O ATOM 318 CB PHE B 1 14.733 -9.325 -5.406 1.00 0.00 C ATOM 319 CG PHE B 1 13.979 -9.459 -6.713 1.00 0.00 C ATOM 320 CD1 PHE B 1 14.076 -10.640 -7.473 1.00 0.00 C ATOM 321 CD2 PHE B 1 13.140 -8.414 -7.155 1.00 0.00 C ATOM 322 CE1 PHE B 1 13.345 -10.777 -8.669 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.414 -8.551 -8.350 1.00 0.00 C ATOM 324 CZ PHE B 1 12.514 -9.732 -9.106 1.00 0.00 C ATOM 0 H1 PHE B 1 16.995 -9.759 -3.773 1.00 0.00 H new ATOM 0 H2 PHE B 1 17.709 -8.283 -4.216 1.00 0.00 H new ATOM 0 H3 PHE B 1 16.156 -8.303 -3.529 1.00 0.00 H new ATOM 0 HA PHE B 1 16.725 -9.714 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE B 1 14.670 -10.276 -4.876 1.00 0.00 H new ATOM 0 HB3 PHE B 1 14.222 -8.584 -4.792 1.00 0.00 H new ATOM 0 HD1 PHE B 1 14.714 -11.444 -7.137 1.00 0.00 H new ATOM 0 HD2 PHE B 1 13.056 -7.508 -6.574 1.00 0.00 H new ATOM 0 HE1 PHE B 1 13.423 -11.684 -9.250 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.777 -7.747 -8.689 1.00 0.00 H new ATOM 0 HZ PHE B 1 11.952 -9.836 -10.022 1.00 0.00 H new ATOM 336 N VAL B 2 16.933 -7.677 -7.502 1.00 0.00 N ATOM 337 CA VAL B 2 17.333 -6.598 -8.444 1.00 0.00 C ATOM 338 C VAL B 2 18.266 -5.478 -7.939 1.00 0.00 C ATOM 339 O VAL B 2 19.225 -5.156 -8.637 1.00 0.00 O ATOM 340 CB VAL B 2 16.154 -6.012 -9.250 1.00 0.00 C ATOM 341 CG1 VAL B 2 15.439 -7.100 -10.061 1.00 0.00 C ATOM 342 CG2 VAL B 2 15.105 -5.243 -8.436 1.00 0.00 C ATOM 0 H VAL B 2 17.115 -8.590 -7.918 1.00 0.00 H new ATOM 0 HA VAL B 2 17.980 -7.172 -9.107 1.00 0.00 H new ATOM 0 HB VAL B 2 16.634 -5.281 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.614 -6.656 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL B 2 16.143 -7.556 -10.758 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.052 -7.862 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.324 -4.876 -9.103 1.00 0.00 H new ATOM 0 HG22 VAL B 2 14.665 -5.906 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL B 2 15.580 -4.399 -7.935 1.00 0.00 H new ATOM 352 N ASN B 3 18.020 -4.875 -6.770 1.00 0.00 N ATOM 353 CA ASN B 3 18.721 -3.694 -6.243 1.00 0.00 C ATOM 354 C ASN B 3 18.813 -2.542 -7.278 1.00 0.00 C ATOM 355 O ASN B 3 19.871 -1.953 -7.506 1.00 0.00 O ATOM 356 CB ASN B 3 20.057 -4.130 -5.602 1.00 0.00 C ATOM 357 CG ASN B 3 20.643 -3.080 -4.671 1.00 0.00 C ATOM 358 OD1 ASN B 3 21.668 -2.461 -4.933 1.00 0.00 O ATOM 359 ND2 ASN B 3 20.017 -2.859 -3.535 1.00 0.00 N ATOM 0 H ASN B 3 17.295 -5.210 -6.136 1.00 0.00 H new ATOM 0 HA ASN B 3 18.134 -3.245 -5.442 1.00 0.00 H new ATOM 0 HB2 ASN B 3 19.901 -5.054 -5.045 1.00 0.00 H new ATOM 0 HB3 ASN B 3 20.777 -4.350 -6.391 1.00 0.00 H new ATOM 0 HD21 ASN B 3 20.385 -2.174 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN B 3 19.164 -3.373 -3.315 1.00 0.00 H new ATOM 366 N GLN B 4 17.687 -2.267 -7.950 1.00 0.00 N ATOM 367 CA GLN B 4 17.570 -1.355 -9.093 1.00 0.00 C ATOM 368 C GLN B 4 16.218 -0.615 -9.067 1.00 0.00 C ATOM 369 O GLN B 4 15.261 -1.075 -8.437 1.00 0.00 O ATOM 370 CB GLN B 4 17.688 -2.194 -10.384 1.00 0.00 C ATOM 371 CG GLN B 4 18.061 -1.391 -11.641 1.00 0.00 C ATOM 372 CD GLN B 4 17.710 -2.159 -12.914 1.00 0.00 C ATOM 373 OE1 GLN B 4 18.516 -2.883 -13.487 1.00 0.00 O ATOM 374 NE2 GLN B 4 16.493 -2.039 -13.402 1.00 0.00 N ATOM 0 H GLN B 4 16.795 -2.693 -7.700 1.00 0.00 H new ATOM 0 HA GLN B 4 18.360 -0.605 -9.049 1.00 0.00 H new ATOM 0 HB2 GLN B 4 18.438 -2.970 -10.229 1.00 0.00 H new ATOM 0 HB3 GLN B 4 16.738 -2.699 -10.561 1.00 0.00 H new ATOM 0 HG2 GLN B 4 17.537 -0.436 -11.634 1.00 0.00 H new ATOM 0 HG3 GLN B 4 19.128 -1.169 -11.630 1.00 0.00 H new ATOM 0 HE21 GLN B 4 15.813 -1.440 -12.934 1.00 0.00 H new ATOM 0 HE22 GLN B 4 16.230 -2.545 -14.248 1.00 0.00 H new ATOM 383 N HIS B 5 16.130 0.517 -9.771 1.00 0.00 N ATOM 384 CA HIS B 5 14.852 1.189 -10.046 1.00 0.00 C ATOM 385 C HIS B 5 14.075 0.397 -11.112 1.00 0.00 C ATOM 386 O HIS B 5 14.660 -0.226 -12.005 1.00 0.00 O ATOM 387 CB HIS B 5 15.078 2.632 -10.526 1.00 0.00 C ATOM 388 CG HIS B 5 15.533 3.601 -9.463 1.00 0.00 C ATOM 389 ND1 HIS B 5 14.917 4.787 -9.133 1.00 0.00 N ATOM 390 CD2 HIS B 5 16.670 3.521 -8.708 1.00 0.00 C ATOM 391 CE1 HIS B 5 15.667 5.411 -8.212 1.00 0.00 C ATOM 392 NE2 HIS B 5 16.750 4.670 -7.912 1.00 0.00 N ATOM 0 H HIS B 5 16.940 0.995 -10.167 1.00 0.00 H new ATOM 0 HA HIS B 5 14.274 1.227 -9.122 1.00 0.00 H new ATOM 0 HB2 HIS B 5 15.820 2.620 -11.325 1.00 0.00 H new ATOM 0 HB3 HIS B 5 14.149 3.003 -10.959 1.00 0.00 H new ATOM 0 HD1 HIS B 5 14.040 5.133 -9.522 1.00 0.00 H new ATOM 0 HD2 HIS B 5 17.384 2.711 -8.723 1.00 0.00 H new ATOM 0 HE1 HIS B 5 15.435 6.371 -7.774 1.00 0.00 H new ATOM 400 N LEU B 6 12.748 0.442 -11.020 1.00 0.00 N ATOM 401 CA LEU B 6 11.780 -0.202 -11.901 1.00 0.00 C ATOM 402 C LEU B 6 10.607 0.771 -12.125 1.00 0.00 C ATOM 403 O LEU B 6 9.832 1.039 -11.204 1.00 0.00 O ATOM 404 CB LEU B 6 11.283 -1.505 -11.246 1.00 0.00 C ATOM 405 CG LEU B 6 12.340 -2.592 -10.967 1.00 0.00 C ATOM 406 CD1 LEU B 6 11.693 -3.665 -10.096 1.00 0.00 C ATOM 407 CD2 LEU B 6 12.856 -3.259 -12.242 1.00 0.00 C ATOM 0 H LEU B 6 12.290 0.967 -10.275 1.00 0.00 H new ATOM 0 HA LEU B 6 12.236 -0.449 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU B 6 10.803 -1.248 -10.302 1.00 0.00 H new ATOM 0 HB3 LEU B 6 10.514 -1.936 -11.888 1.00 0.00 H new ATOM 0 HG LEU B 6 13.189 -2.114 -10.478 1.00 0.00 H new ATOM 0 HD11 LEU B 6 12.421 -4.448 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.355 -3.219 -9.160 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.840 -4.095 -10.622 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.597 -4.015 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.026 -3.730 -12.768 1.00 0.00 H new ATOM 0 HD23 LEU B 6 13.314 -2.508 -12.886 1.00 0.00 H new ATOM 419 N CYS B 7 10.468 1.296 -13.343 1.00 0.00 N ATOM 420 CA CYS B 7 9.392 2.213 -13.742 1.00 0.00 C ATOM 421 C CYS B 7 8.536 1.610 -14.869 1.00 0.00 C ATOM 422 O CYS B 7 9.032 0.850 -15.706 1.00 0.00 O ATOM 423 CB CYS B 7 9.996 3.553 -14.182 1.00 0.00 C ATOM 424 SG CYS B 7 10.816 4.524 -12.892 1.00 0.00 S ATOM 0 H CYS B 7 11.117 1.091 -14.103 1.00 0.00 H new ATOM 0 HA CYS B 7 8.739 2.377 -12.885 1.00 0.00 H new ATOM 0 HB2 CYS B 7 10.718 3.359 -14.975 1.00 0.00 H new ATOM 0 HB3 CYS B 7 9.202 4.161 -14.615 1.00 0.00 H new ATOM 429 N GLY B 8 7.248 1.964 -14.907 1.00 0.00 N ATOM 430 CA GLY B 8 6.325 1.615 -16.001 1.00 0.00 C ATOM 431 C GLY B 8 6.264 0.113 -16.290 1.00 0.00 C ATOM 432 O GLY B 8 5.883 -0.678 -15.427 1.00 0.00 O ATOM 0 H GLY B 8 6.806 2.510 -14.168 1.00 0.00 H new ATOM 0 HA2 GLY B 8 5.325 1.970 -15.750 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.632 2.139 -16.906 1.00 0.00 H new ATOM 436 N SER B 9 6.691 -0.290 -17.489 1.00 0.00 N ATOM 437 CA SER B 9 6.722 -1.698 -17.920 1.00 0.00 C ATOM 438 C SER B 9 7.599 -2.580 -17.024 1.00 0.00 C ATOM 439 O SER B 9 7.253 -3.734 -16.772 1.00 0.00 O ATOM 440 CB SER B 9 7.236 -1.798 -19.357 1.00 0.00 C ATOM 441 OG SER B 9 6.472 -0.981 -20.230 1.00 0.00 O ATOM 0 H SER B 9 7.030 0.357 -18.200 1.00 0.00 H new ATOM 0 HA SER B 9 5.697 -2.062 -17.848 1.00 0.00 H new ATOM 0 HB2 SER B 9 8.283 -1.496 -19.394 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.191 -2.834 -19.691 1.00 0.00 H new ATOM 0 HG SER B 9 6.821 -1.061 -21.142 1.00 0.00 H new ATOM 447 N HIS B 10 8.705 -2.041 -16.493 1.00 0.00 N ATOM 448 CA HIS B 10 9.590 -2.768 -15.579 1.00 0.00 C ATOM 449 C HIS B 10 8.932 -2.992 -14.213 1.00 0.00 C ATOM 450 O HIS B 10 9.076 -4.062 -13.622 1.00 0.00 O ATOM 451 CB HIS B 10 10.906 -2.003 -15.389 1.00 0.00 C ATOM 452 CG HIS B 10 11.789 -1.958 -16.604 1.00 0.00 C ATOM 453 ND1 HIS B 10 12.908 -2.734 -16.807 1.00 0.00 N ATOM 454 CD2 HIS B 10 11.690 -1.101 -17.665 1.00 0.00 C ATOM 455 CE1 HIS B 10 13.477 -2.356 -17.962 1.00 0.00 C ATOM 456 NE2 HIS B 10 12.765 -1.361 -18.529 1.00 0.00 N ATOM 0 H HIS B 10 9.010 -1.087 -16.687 1.00 0.00 H new ATOM 0 HA HIS B 10 9.791 -3.741 -16.028 1.00 0.00 H new ATOM 0 HB2 HIS B 10 10.676 -0.981 -15.086 1.00 0.00 H new ATOM 0 HB3 HIS B 10 11.461 -2.461 -14.570 1.00 0.00 H new ATOM 0 HD2 HIS B 10 10.921 -0.357 -17.812 1.00 0.00 H new ATOM 0 HE1 HIS B 10 14.376 -2.787 -18.378 1.00 0.00 H new ATOM 0 HE2 HIS B 10 12.968 -0.891 -19.411 1.00 0.00 H new ATOM 464 N LEU B 11 8.187 -1.991 -13.729 1.00 0.00 N ATOM 465 CA LEU B 11 7.469 -2.031 -12.454 1.00 0.00 C ATOM 466 C LEU B 11 6.397 -3.124 -12.467 1.00 0.00 C ATOM 467 O LEU B 11 6.347 -3.946 -11.552 1.00 0.00 O ATOM 468 CB LEU B 11 6.897 -0.627 -12.184 1.00 0.00 C ATOM 469 CG LEU B 11 6.091 -0.449 -10.880 1.00 0.00 C ATOM 470 CD1 LEU B 11 6.216 1.014 -10.435 1.00 0.00 C ATOM 471 CD2 LEU B 11 4.599 -0.746 -11.077 1.00 0.00 C ATOM 0 H LEU B 11 8.065 -1.109 -14.228 1.00 0.00 H new ATOM 0 HA LEU B 11 8.143 -2.292 -11.638 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.725 0.082 -12.172 1.00 0.00 H new ATOM 0 HB3 LEU B 11 6.255 -0.354 -13.021 1.00 0.00 H new ATOM 0 HG LEU B 11 6.489 -1.145 -10.142 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.653 1.163 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU B 11 7.265 1.253 -10.262 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.818 1.666 -11.213 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.073 -0.608 -10.133 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.188 -0.067 -11.824 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.474 -1.775 -11.414 1.00 0.00 H new ATOM 483 N VAL B 12 5.585 -3.181 -13.530 1.00 0.00 N ATOM 484 CA VAL B 12 4.484 -4.153 -13.617 1.00 0.00 C ATOM 485 C VAL B 12 4.973 -5.569 -13.910 1.00 0.00 C ATOM 486 O VAL B 12 4.453 -6.519 -13.332 1.00 0.00 O ATOM 487 CB VAL B 12 3.396 -3.722 -14.615 1.00 0.00 C ATOM 488 CG1 VAL B 12 2.748 -2.403 -14.175 1.00 0.00 C ATOM 489 CG2 VAL B 12 3.878 -3.570 -16.062 1.00 0.00 C ATOM 0 H VAL B 12 5.668 -2.568 -14.341 1.00 0.00 H new ATOM 0 HA VAL B 12 4.027 -4.170 -12.628 1.00 0.00 H new ATOM 0 HB VAL B 12 2.674 -4.539 -14.605 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.981 -2.116 -14.895 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.294 -2.531 -13.193 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.508 -1.623 -14.125 1.00 0.00 H new ATOM 0 HG21 VAL B 12 3.044 -3.264 -16.693 1.00 0.00 H new ATOM 0 HG22 VAL B 12 4.663 -2.815 -16.107 1.00 0.00 H new ATOM 0 HG23 VAL B 12 4.271 -4.523 -16.417 1.00 0.00 H new ATOM 499 N GLU B 13 6.006 -5.734 -14.742 1.00 0.00 N ATOM 500 CA GLU B 13 6.561 -7.055 -15.077 1.00 0.00 C ATOM 501 C GLU B 13 7.262 -7.701 -13.872 1.00 0.00 C ATOM 502 O GLU B 13 7.024 -8.874 -13.579 1.00 0.00 O ATOM 503 CB GLU B 13 7.507 -6.925 -16.282 1.00 0.00 C ATOM 504 CG GLU B 13 8.029 -8.283 -16.764 1.00 0.00 C ATOM 505 CD GLU B 13 8.854 -8.120 -18.056 1.00 0.00 C ATOM 506 OE1 GLU B 13 10.085 -7.891 -17.974 1.00 0.00 O ATOM 507 OE2 GLU B 13 8.280 -8.235 -19.167 1.00 0.00 O ATOM 0 H GLU B 13 6.482 -4.959 -15.203 1.00 0.00 H new ATOM 0 HA GLU B 13 5.740 -7.719 -15.347 1.00 0.00 H new ATOM 0 HB2 GLU B 13 6.984 -6.429 -17.099 1.00 0.00 H new ATOM 0 HB3 GLU B 13 8.350 -6.290 -16.011 1.00 0.00 H new ATOM 0 HG2 GLU B 13 8.645 -8.738 -15.988 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.192 -8.958 -16.943 1.00 0.00 H new ATOM 514 N ALA B 14 8.064 -6.934 -13.126 1.00 0.00 N ATOM 515 CA ALA B 14 8.724 -7.403 -11.908 1.00 0.00 C ATOM 516 C ALA B 14 7.717 -7.734 -10.799 1.00 0.00 C ATOM 517 O ALA B 14 7.843 -8.761 -10.136 1.00 0.00 O ATOM 518 CB ALA B 14 9.678 -6.314 -11.431 1.00 0.00 C ATOM 0 H ALA B 14 8.274 -5.962 -13.355 1.00 0.00 H new ATOM 0 HA ALA B 14 9.264 -8.322 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA B 14 10.181 -6.644 -10.522 1.00 0.00 H new ATOM 0 HB2 ALA B 14 10.419 -6.115 -12.205 1.00 0.00 H new ATOM 0 HB3 ALA B 14 9.116 -5.403 -11.224 1.00 0.00 H new ATOM 524 N LEU B 15 6.695 -6.893 -10.615 1.00 0.00 N ATOM 525 CA LEU B 15 5.647 -7.121 -9.631 1.00 0.00 C ATOM 526 C LEU B 15 4.807 -8.361 -9.988 1.00 0.00 C ATOM 527 O LEU B 15 4.599 -9.215 -9.133 1.00 0.00 O ATOM 528 CB LEU B 15 4.850 -5.811 -9.508 1.00 0.00 C ATOM 529 CG LEU B 15 3.632 -5.885 -8.587 1.00 0.00 C ATOM 530 CD1 LEU B 15 3.970 -6.348 -7.176 1.00 0.00 C ATOM 531 CD2 LEU B 15 2.978 -4.508 -8.494 1.00 0.00 C ATOM 0 H LEU B 15 6.576 -6.033 -11.150 1.00 0.00 H new ATOM 0 HA LEU B 15 6.055 -7.362 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU B 15 5.517 -5.030 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU B 15 4.519 -5.509 -10.502 1.00 0.00 H new ATOM 0 HG LEU B 15 2.959 -6.622 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU B 15 3.061 -6.378 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU B 15 4.412 -7.344 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU B 15 4.680 -5.654 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.110 -4.561 -7.837 1.00 0.00 H new ATOM 0 HD22 LEU B 15 3.694 -3.792 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU B 15 2.663 -4.187 -9.487 1.00 0.00 H new ATOM 543 N TYR B 16 4.430 -8.549 -11.254 1.00 0.00 N ATOM 544 CA TYR B 16 3.735 -9.755 -11.728 1.00 0.00 C ATOM 545 C TYR B 16 4.593 -11.025 -11.600 1.00 0.00 C ATOM 546 O TYR B 16 4.072 -12.077 -11.222 1.00 0.00 O ATOM 547 CB TYR B 16 3.293 -9.514 -13.177 1.00 0.00 C ATOM 548 CG TYR B 16 2.338 -10.560 -13.715 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.950 -10.397 -13.533 1.00 0.00 C ATOM 550 CD2 TYR B 16 2.828 -11.685 -14.404 1.00 0.00 C ATOM 551 CE1 TYR B 16 0.048 -11.354 -14.044 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.932 -12.645 -14.916 1.00 0.00 C ATOM 553 CZ TYR B 16 0.539 -12.477 -14.744 1.00 0.00 C ATOM 554 OH TYR B 16 -0.319 -13.410 -15.244 1.00 0.00 O ATOM 0 H TYR B 16 4.599 -7.863 -11.990 1.00 0.00 H new ATOM 0 HA TYR B 16 2.865 -9.933 -11.096 1.00 0.00 H new ATOM 0 HB2 TYR B 16 2.817 -8.535 -13.242 1.00 0.00 H new ATOM 0 HB3 TYR B 16 4.177 -9.482 -13.814 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.575 -9.536 -13.000 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.892 -11.813 -14.541 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -1.015 -11.228 -13.900 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.310 -13.510 -15.440 1.00 0.00 H new ATOM 0 HH TYR B 16 0.191 -14.114 -15.697 1.00 0.00 H new ATOM 564 N LEU B 17 5.909 -10.935 -11.824 1.00 0.00 N ATOM 565 CA LEU B 17 6.858 -12.030 -11.599 1.00 0.00 C ATOM 566 C LEU B 17 6.991 -12.390 -10.108 1.00 0.00 C ATOM 567 O LEU B 17 7.131 -13.567 -9.773 1.00 0.00 O ATOM 568 CB LEU B 17 8.212 -11.623 -12.211 1.00 0.00 C ATOM 569 CG LEU B 17 9.342 -12.665 -12.094 1.00 0.00 C ATOM 570 CD1 LEU B 17 9.014 -13.970 -12.819 1.00 0.00 C ATOM 571 CD2 LEU B 17 10.624 -12.092 -12.695 1.00 0.00 C ATOM 0 H LEU B 17 6.351 -10.085 -12.173 1.00 0.00 H new ATOM 0 HA LEU B 17 6.488 -12.933 -12.085 1.00 0.00 H new ATOM 0 HB2 LEU B 17 8.059 -11.398 -13.266 1.00 0.00 H new ATOM 0 HB3 LEU B 17 8.543 -10.701 -11.733 1.00 0.00 H new ATOM 0 HG LEU B 17 9.464 -12.887 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.843 -14.668 -12.705 1.00 0.00 H new ATOM 0 HD12 LEU B 17 8.111 -14.406 -12.392 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.854 -13.768 -13.878 1.00 0.00 H new ATOM 0 HD21 LEU B 17 11.424 -12.827 -12.613 1.00 0.00 H new ATOM 0 HD22 LEU B 17 10.458 -11.852 -13.745 1.00 0.00 H new ATOM 0 HD23 LEU B 17 10.906 -11.187 -12.156 1.00 0.00 H new ATOM 583 N VAL B 18 6.897 -11.405 -9.208 1.00 0.00 N ATOM 584 CA VAL B 18 6.921 -11.613 -7.748 1.00 0.00 C ATOM 585 C VAL B 18 5.593 -12.182 -7.236 1.00 0.00 C ATOM 586 O VAL B 18 5.589 -13.089 -6.402 1.00 0.00 O ATOM 587 CB VAL B 18 7.321 -10.304 -7.030 1.00 0.00 C ATOM 588 CG1 VAL B 18 6.938 -10.304 -5.548 1.00 0.00 C ATOM 589 CG2 VAL B 18 8.839 -10.109 -7.138 1.00 0.00 C ATOM 0 H VAL B 18 6.801 -10.425 -9.473 1.00 0.00 H new ATOM 0 HA VAL B 18 7.678 -12.362 -7.516 1.00 0.00 H new ATOM 0 HB VAL B 18 6.780 -9.493 -7.518 1.00 0.00 H new ATOM 0 HG11 VAL B 18 7.242 -9.361 -5.094 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.859 -10.422 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL B 18 7.440 -11.129 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL B 18 9.124 -9.186 -6.632 1.00 0.00 H new ATOM 0 HG22 VAL B 18 9.348 -10.952 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL B 18 9.124 -10.050 -8.188 1.00 0.00 H new ATOM 599 N CYS B 19 4.464 -11.705 -7.763 1.00 0.00 N ATOM 600 CA CYS B 19 3.143 -12.225 -7.427 1.00 0.00 C ATOM 601 C CYS B 19 2.901 -13.618 -8.036 1.00 0.00 C ATOM 602 O CYS B 19 2.119 -14.398 -7.489 1.00 0.00 O ATOM 603 CB CYS B 19 2.084 -11.206 -7.860 1.00 0.00 C ATOM 604 SG CYS B 19 2.253 -9.565 -7.097 1.00 0.00 S ATOM 0 H CYS B 19 4.443 -10.942 -8.439 1.00 0.00 H new ATOM 0 HA CYS B 19 3.075 -12.364 -6.348 1.00 0.00 H new ATOM 0 HB2 CYS B 19 2.128 -11.094 -8.943 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.098 -11.603 -7.621 1.00 0.00 H new ATOM 609 N GLY B 20 3.592 -13.961 -9.124 1.00 0.00 N ATOM 610 CA GLY B 20 3.629 -15.295 -9.724 1.00 0.00 C ATOM 611 C GLY B 20 2.293 -15.714 -10.335 1.00 0.00 C ATOM 612 O GLY B 20 1.669 -16.678 -9.890 1.00 0.00 O ATOM 0 H GLY B 20 4.165 -13.288 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY B 20 4.398 -15.319 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY B 20 3.918 -16.021 -8.964 1.00 0.00 H new ATOM 616 N GLU B 21 1.841 -14.955 -11.337 1.00 0.00 N ATOM 617 CA GLU B 21 0.563 -15.125 -12.057 1.00 0.00 C ATOM 618 C GLU B 21 -0.713 -14.946 -11.201 1.00 0.00 C ATOM 619 O GLU B 21 -1.825 -15.136 -11.702 1.00 0.00 O ATOM 620 CB GLU B 21 0.544 -16.422 -12.890 1.00 0.00 C ATOM 621 CG GLU B 21 1.727 -16.540 -13.863 1.00 0.00 C ATOM 622 CD GLU B 21 1.598 -17.808 -14.721 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.104 -18.882 -14.311 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.005 -17.749 -15.829 1.00 0.00 O ATOM 0 H GLU B 21 2.379 -14.164 -11.691 1.00 0.00 H new ATOM 0 HA GLU B 21 0.524 -14.283 -12.748 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.551 -17.278 -12.216 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.387 -16.469 -13.455 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.764 -15.661 -14.507 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.663 -16.566 -13.305 1.00 0.00 H new ATOM 631 N ARG B 22 -0.591 -14.509 -9.934 1.00 0.00 N ATOM 632 CA ARG B 22 -1.741 -14.102 -9.092 1.00 0.00 C ATOM 633 C ARG B 22 -2.283 -12.710 -9.428 1.00 0.00 C ATOM 634 O ARG B 22 -3.398 -12.370 -9.025 1.00 0.00 O ATOM 635 CB ARG B 22 -1.360 -14.175 -7.601 1.00 0.00 C ATOM 636 CG ARG B 22 -1.232 -15.629 -7.109 1.00 0.00 C ATOM 637 CD ARG B 22 -0.877 -15.713 -5.617 1.00 0.00 C ATOM 638 NE ARG B 22 0.512 -15.292 -5.368 1.00 0.00 N ATOM 639 CZ ARG B 22 1.129 -15.167 -4.207 1.00 0.00 C ATOM 640 NH1 ARG B 22 0.525 -15.386 -3.072 1.00 0.00 N ATOM 641 NH2 ARG B 22 2.385 -14.820 -4.168 1.00 0.00 N ATOM 0 H ARG B 22 0.309 -14.426 -9.460 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.544 -14.807 -9.308 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.416 -13.654 -7.442 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.114 -13.657 -7.008 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.171 -16.154 -7.286 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -0.466 -16.141 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.557 -15.083 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.017 -16.735 -5.266 1.00 0.00 H new ATOM 0 HE ARG B 22 1.066 -15.069 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -0.456 -15.664 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG B 22 1.034 -15.279 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.893 -14.645 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.860 -14.724 -3.270 1.00 0.00 H new ATOM 655 N GLY B 23 -1.505 -11.912 -10.156 1.00 0.00 N ATOM 656 CA GLY B 23 -1.781 -10.501 -10.410 1.00 0.00 C ATOM 657 C GLY B 23 -1.497 -9.603 -9.201 1.00 0.00 C ATOM 658 O GLY B 23 -1.144 -10.053 -8.106 1.00 0.00 O ATOM 0 H GLY B 23 -0.644 -12.237 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -1.177 -10.165 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.825 -10.388 -10.701 1.00 0.00 H new ATOM 662 N PHE B 24 -1.648 -8.301 -9.416 1.00 0.00 N ATOM 663 CA PHE B 24 -1.374 -7.231 -8.456 1.00 0.00 C ATOM 664 C PHE B 24 -2.455 -6.142 -8.481 1.00 0.00 C ATOM 665 O PHE B 24 -3.248 -6.049 -9.421 1.00 0.00 O ATOM 666 CB PHE B 24 0.031 -6.668 -8.706 1.00 0.00 C ATOM 667 CG PHE B 24 0.206 -5.989 -10.051 1.00 0.00 C ATOM 668 CD1 PHE B 24 -0.118 -4.627 -10.193 1.00 0.00 C ATOM 669 CD2 PHE B 24 0.674 -6.719 -11.162 1.00 0.00 C ATOM 670 CE1 PHE B 24 0.010 -4.001 -11.444 1.00 0.00 C ATOM 671 CE2 PHE B 24 0.801 -6.092 -12.412 1.00 0.00 C ATOM 672 CZ PHE B 24 0.457 -4.735 -12.553 1.00 0.00 C ATOM 0 H PHE B 24 -1.982 -7.942 -10.310 1.00 0.00 H new ATOM 0 HA PHE B 24 -1.403 -7.647 -7.449 1.00 0.00 H new ATOM 0 HB2 PHE B 24 0.267 -5.953 -7.918 1.00 0.00 H new ATOM 0 HB3 PHE B 24 0.754 -7.480 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.465 -4.063 -9.340 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.935 -7.761 -11.052 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.236 -2.955 -11.552 1.00 0.00 H new ATOM 0 HE2 PHE B 24 1.162 -6.650 -13.263 1.00 0.00 H new ATOM 0 HZ PHE B 24 0.537 -4.257 -13.518 1.00 0.00 H new ATOM 682 N PHE B 25 -2.492 -5.333 -7.420 1.00 0.00 N ATOM 683 CA PHE B 25 -3.547 -4.337 -7.179 1.00 0.00 C ATOM 684 C PHE B 25 -3.016 -3.024 -6.580 1.00 0.00 C ATOM 685 O PHE B 25 -3.554 -1.962 -6.900 1.00 0.00 O ATOM 686 CB PHE B 25 -4.580 -4.996 -6.248 1.00 0.00 C ATOM 687 CG PHE B 25 -5.930 -4.303 -6.167 1.00 0.00 C ATOM 688 CD1 PHE B 25 -6.119 -3.206 -5.308 1.00 0.00 C ATOM 689 CD2 PHE B 25 -7.012 -4.781 -6.932 1.00 0.00 C ATOM 690 CE1 PHE B 25 -7.385 -2.595 -5.205 1.00 0.00 C ATOM 691 CE2 PHE B 25 -8.275 -4.172 -6.827 1.00 0.00 C ATOM 692 CZ PHE B 25 -8.466 -3.081 -5.963 1.00 0.00 C ATOM 0 H PHE B 25 -1.780 -5.349 -6.690 1.00 0.00 H new ATOM 0 HA PHE B 25 -3.995 -4.049 -8.130 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -4.738 -6.022 -6.580 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -4.157 -5.047 -5.245 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.291 -2.830 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.871 -5.617 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.525 -1.753 -4.544 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.102 -4.545 -7.413 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.438 -2.618 -5.881 1.00 0.00 H new ATOM 702 N TYR B 26 -1.956 -3.112 -5.759 1.00 0.00 N ATOM 703 CA TYR B 26 -1.347 -2.083 -4.908 1.00 0.00 C ATOM 704 C TYR B 26 -2.304 -1.383 -3.915 1.00 0.00 C ATOM 705 O TYR B 26 -3.431 -1.008 -4.233 1.00 0.00 O ATOM 706 CB TYR B 26 -0.402 -1.148 -5.686 1.00 0.00 C ATOM 707 CG TYR B 26 -1.034 -0.118 -6.603 1.00 0.00 C ATOM 708 CD1 TYR B 26 -1.477 1.115 -6.085 1.00 0.00 C ATOM 709 CD2 TYR B 26 -1.142 -0.379 -7.984 1.00 0.00 C ATOM 710 CE1 TYR B 26 -2.032 2.083 -6.943 1.00 0.00 C ATOM 711 CE2 TYR B 26 -1.693 0.587 -8.848 1.00 0.00 C ATOM 712 CZ TYR B 26 -2.138 1.824 -8.330 1.00 0.00 C ATOM 713 OH TYR B 26 -2.674 2.765 -9.156 1.00 0.00 O ATOM 0 H TYR B 26 -1.456 -3.996 -5.668 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.700 -2.635 -4.226 1.00 0.00 H new ATOM 0 HB2 TYR B 26 0.218 -0.619 -4.962 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.265 -1.767 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -1.391 1.318 -5.028 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -0.801 -1.324 -8.381 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.377 3.025 -6.542 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -1.775 0.383 -9.905 1.00 0.00 H new ATOM 0 HH TYR B 26 -2.673 2.430 -10.077 1.00 0.00 H new ATOM 723 N THR B 27 -1.845 -1.248 -2.663 1.00 0.00 N ATOM 724 CA THR B 27 -2.552 -0.597 -1.534 1.00 0.00 C ATOM 725 C THR B 27 -4.010 -1.068 -1.347 1.00 0.00 C ATOM 726 O THR B 27 -4.917 -0.288 -1.038 1.00 0.00 O ATOM 727 CB THR B 27 -2.378 0.935 -1.541 1.00 0.00 C ATOM 728 OG1 THR B 27 -2.977 1.566 -2.651 1.00 0.00 O ATOM 729 CG2 THR B 27 -0.891 1.310 -1.586 1.00 0.00 C ATOM 0 H THR B 27 -0.929 -1.604 -2.390 1.00 0.00 H new ATOM 0 HA THR B 27 -2.054 -0.947 -0.630 1.00 0.00 H new ATOM 0 HB THR B 27 -2.864 1.275 -0.627 1.00 0.00 H new ATOM 0 HG1 THR B 27 -3.358 0.888 -3.247 1.00 0.00 H new ATOM 0 HG21 THR B 27 -0.789 2.395 -1.590 1.00 0.00 H new ATOM 0 HG22 THR B 27 -0.386 0.902 -0.710 1.00 0.00 H new ATOM 0 HG23 THR B 27 -0.439 0.900 -2.489 1.00 0.00 H new ATOM 737 N LYS B 28 -4.230 -2.373 -1.558 1.00 0.00 N ATOM 738 CA LYS B 28 -5.541 -3.044 -1.591 1.00 0.00 C ATOM 739 C LYS B 28 -6.272 -2.956 -0.231 1.00 0.00 C ATOM 740 O LYS B 28 -5.639 -3.214 0.798 1.00 0.00 O ATOM 741 CB LYS B 28 -5.321 -4.505 -2.032 1.00 0.00 C ATOM 742 CG LYS B 28 -6.625 -5.245 -2.375 1.00 0.00 C ATOM 743 CD LYS B 28 -6.329 -6.675 -2.855 1.00 0.00 C ATOM 744 CE LYS B 28 -7.614 -7.427 -3.225 1.00 0.00 C ATOM 745 NZ LYS B 28 -8.136 -7.031 -4.560 1.00 0.00 N ATOM 0 H LYS B 28 -3.461 -3.024 -1.719 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.191 -2.539 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -4.665 -4.519 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.806 -5.043 -1.236 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -7.272 -5.277 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.165 -4.701 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -5.667 -6.639 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -5.801 -7.220 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -7.420 -8.499 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.375 -7.235 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.111 -7.376 -4.668 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.124 -5.994 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -7.538 -7.446 -5.303 1.00 0.00 H new ATOM 759 N PRO B 29 -7.583 -2.631 -0.195 1.00 0.00 N ATOM 760 CA PRO B 29 -8.357 -2.577 1.048 1.00 0.00 C ATOM 761 C PRO B 29 -8.588 -3.969 1.663 1.00 0.00 C ATOM 762 O PRO B 29 -8.633 -4.980 0.955 1.00 0.00 O ATOM 763 CB PRO B 29 -9.674 -1.886 0.674 1.00 0.00 C ATOM 764 CG PRO B 29 -9.857 -2.251 -0.798 1.00 0.00 C ATOM 765 CD PRO B 29 -8.424 -2.254 -1.324 1.00 0.00 C ATOM 0 HA PRO B 29 -7.820 -2.029 1.822 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -10.504 -2.245 1.283 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -9.617 -0.807 0.817 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -10.334 -3.224 -0.918 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -10.479 -1.524 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -8.312 -2.960 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -8.147 -1.272 -1.706 1.00 0.00 H new ATOM 773 N THR B 30 -8.761 -4.010 2.990 1.00 0.00 N ATOM 774 CA THR B 30 -9.036 -5.224 3.800 1.00 0.00 C ATOM 775 C THR B 30 -10.102 -4.995 4.880 1.00 0.00 C ATOM 776 O THR B 30 -10.780 -5.980 5.256 1.00 0.00 O ATOM 777 CB THR B 30 -7.764 -5.794 4.448 1.00 0.00 C ATOM 778 OG1 THR B 30 -7.074 -4.803 5.181 1.00 0.00 O ATOM 779 CG2 THR B 30 -6.799 -6.392 3.419 1.00 0.00 C ATOM 780 OXT THR B 30 -10.300 -3.835 5.316 1.00 0.00 O ATOM 0 H THR B 30 -8.713 -3.167 3.562 1.00 0.00 H new ATOM 0 HA THR B 30 -9.425 -5.954 3.090 1.00 0.00 H new ATOM 0 HB THR B 30 -8.102 -6.587 5.115 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.270 -5.194 5.583 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.918 -6.780 3.929 1.00 0.00 H new ATOM 0 HG22 THR B 30 -7.294 -7.202 2.883 1.00 0.00 H new ATOM 0 HG23 THR B 30 -6.498 -5.620 2.711 1.00 0.00 H new TER 788 THR B 30