USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 31 THR OG1 : rot 29:sc= 0.308 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.168 USER MOD Single : A 42 GLN : amide:sc= -0.0904 X(o=-0.09,f=-0.28) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 179:sc= -0.194 (180deg=-0.204) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot 140:sc= 0 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.364 K(o=-0.36,f=-3.7!) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 MET CE :methyl 169:sc= -0.0205 (180deg=-0.334) USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 60 TYR OH : rot 180:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 31 -8.426 13.843 -12.854 1.00 0.00 N ATOM 2 CA THR A 31 -7.731 12.542 -12.921 1.00 0.00 C ATOM 3 C THR A 31 -7.068 12.230 -11.568 1.00 0.00 C ATOM 4 O THR A 31 -6.785 13.152 -10.797 1.00 0.00 O ATOM 5 CB THR A 31 -6.634 12.563 -14.013 1.00 0.00 C ATOM 6 OG1 THR A 31 -7.041 13.270 -15.171 1.00 0.00 O ATOM 7 CG2 THR A 31 -6.203 11.174 -14.478 1.00 0.00 C ATOM 0 HA THR A 31 -8.470 11.778 -13.163 1.00 0.00 H new ATOM 0 HB THR A 31 -5.797 13.061 -13.524 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.691 13.960 -14.922 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.432 11.269 -15.243 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.806 10.614 -13.631 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.062 10.646 -14.892 1.00 0.00 H new ATOM 15 N ARG A 32 -6.790 10.959 -11.254 1.00 0.00 N ATOM 16 CA ARG A 32 -6.271 10.529 -9.953 1.00 0.00 C ATOM 17 C ARG A 32 -4.838 9.977 -10.069 1.00 0.00 C ATOM 18 O ARG A 32 -4.610 8.803 -10.370 1.00 0.00 O ATOM 19 CB ARG A 32 -7.278 9.556 -9.309 1.00 0.00 C ATOM 20 CG ARG A 32 -7.359 9.770 -7.795 1.00 0.00 C ATOM 21 CD ARG A 32 -8.091 11.062 -7.399 1.00 0.00 C ATOM 22 NE ARG A 32 -9.506 10.809 -7.076 1.00 0.00 N ATOM 23 CZ ARG A 32 -10.017 10.530 -5.888 1.00 0.00 C ATOM 24 NH1 ARG A 32 -9.286 10.398 -4.813 1.00 0.00 N ATOM 25 NH2 ARG A 32 -11.302 10.374 -5.769 1.00 0.00 N ATOM 0 H ARG A 32 -6.922 10.188 -11.909 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.176 11.384 -9.283 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.263 9.700 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.981 8.528 -9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.868 8.919 -7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.350 9.793 -7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.596 11.512 -6.538 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.027 11.781 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.164 10.854 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.274 10.511 -4.868 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.728 10.182 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.905 10.467 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.707 10.159 -4.858 1.00 0.00 H new ATOM 39 N ALA A 33 -3.857 10.861 -9.882 1.00 0.00 N ATOM 40 CA ALA A 33 -2.434 10.528 -9.941 1.00 0.00 C ATOM 41 C ALA A 33 -2.018 9.432 -8.931 1.00 0.00 C ATOM 42 O ALA A 33 -2.504 9.376 -7.797 1.00 0.00 O ATOM 43 CB ALA A 33 -1.617 11.808 -9.732 1.00 0.00 C ATOM 0 H ALA A 33 -4.033 11.846 -9.682 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.231 10.107 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.554 11.572 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.860 12.527 -10.515 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.855 12.237 -8.759 1.00 0.00 H new ATOM 49 N VAL A 34 -1.071 8.590 -9.347 1.00 0.00 N ATOM 50 CA VAL A 34 -0.520 7.435 -8.615 1.00 0.00 C ATOM 51 C VAL A 34 0.990 7.413 -8.832 1.00 0.00 C ATOM 52 O VAL A 34 1.465 6.891 -9.833 1.00 0.00 O ATOM 53 CB VAL A 34 -1.175 6.112 -9.077 1.00 0.00 C ATOM 54 CG1 VAL A 34 -0.505 4.864 -8.485 1.00 0.00 C ATOM 55 CG2 VAL A 34 -2.654 6.052 -8.673 1.00 0.00 C ATOM 0 H VAL A 34 -0.636 8.699 -10.263 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.738 7.533 -7.552 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.056 6.108 -10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.013 3.971 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.542 4.835 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.568 4.899 -7.397 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.086 5.110 -9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.738 6.120 -7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.190 6.883 -9.131 1.00 0.00 H new ATOM 65 N SER A 35 1.744 8.036 -7.929 1.00 0.00 N ATOM 66 CA SER A 35 3.188 8.257 -8.070 1.00 0.00 C ATOM 67 C SER A 35 3.980 7.567 -6.951 1.00 0.00 C ATOM 68 O SER A 35 3.816 7.886 -5.768 1.00 0.00 O ATOM 69 CB SER A 35 3.466 9.759 -8.111 1.00 0.00 C ATOM 70 OG SER A 35 4.845 10.031 -8.301 1.00 0.00 O ATOM 0 H SER A 35 1.364 8.410 -7.060 1.00 0.00 H new ATOM 0 HA SER A 35 3.523 7.809 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.891 10.214 -8.917 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.129 10.217 -7.181 1.00 0.00 H new ATOM 0 HG SER A 35 4.987 11.000 -8.324 1.00 0.00 H new ATOM 76 N LEU A 36 4.808 6.589 -7.329 1.00 0.00 N ATOM 77 CA LEU A 36 5.547 5.702 -6.424 1.00 0.00 C ATOM 78 C LEU A 36 7.061 5.660 -6.718 1.00 0.00 C ATOM 79 O LEU A 36 7.542 6.134 -7.750 1.00 0.00 O ATOM 80 CB LEU A 36 4.934 4.279 -6.463 1.00 0.00 C ATOM 81 CG LEU A 36 3.698 3.996 -5.587 1.00 0.00 C ATOM 82 CD1 LEU A 36 3.901 4.472 -4.147 1.00 0.00 C ATOM 83 CD2 LEU A 36 2.393 4.562 -6.137 1.00 0.00 C ATOM 0 H LEU A 36 4.989 6.385 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 36 5.448 6.113 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.667 4.059 -7.497 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.713 3.572 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 36 3.599 2.911 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.007 4.254 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.755 3.955 -3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.085 5.546 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.576 4.317 -5.459 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.476 5.645 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.193 4.129 -7.117 1.00 0.00 H new ATOM 95 N TYR A 37 7.794 5.056 -5.780 1.00 0.00 N ATOM 96 CA TYR A 37 9.244 5.183 -5.589 1.00 0.00 C ATOM 97 C TYR A 37 9.904 3.797 -5.457 1.00 0.00 C ATOM 98 O TYR A 37 10.349 3.377 -4.384 1.00 0.00 O ATOM 99 CB TYR A 37 9.507 6.105 -4.386 1.00 0.00 C ATOM 100 CG TYR A 37 8.865 7.477 -4.515 1.00 0.00 C ATOM 101 CD1 TYR A 37 9.478 8.471 -5.303 1.00 0.00 C ATOM 102 CD2 TYR A 37 7.633 7.746 -3.885 1.00 0.00 C ATOM 103 CE1 TYR A 37 8.865 9.729 -5.455 1.00 0.00 C ATOM 104 CE2 TYR A 37 7.019 9.002 -4.047 1.00 0.00 C ATOM 105 CZ TYR A 37 7.636 9.992 -4.827 1.00 0.00 C ATOM 106 OH TYR A 37 7.039 11.209 -4.970 1.00 0.00 O ATOM 0 H TYR A 37 7.370 4.430 -5.095 1.00 0.00 H new ATOM 0 HA TYR A 37 9.705 5.642 -6.464 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.135 5.623 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.583 6.227 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.420 8.268 -5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.160 6.988 -3.278 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.339 10.492 -6.054 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.071 9.204 -3.570 1.00 0.00 H new ATOM 0 HH TYR A 37 6.196 11.220 -4.471 1.00 0.00 H new ATOM 116 N PHE A 38 9.841 3.031 -6.546 1.00 0.00 N ATOM 117 CA PHE A 38 10.360 1.673 -6.677 1.00 0.00 C ATOM 118 C PHE A 38 11.898 1.611 -6.580 1.00 0.00 C ATOM 119 O PHE A 38 12.588 2.617 -6.761 1.00 0.00 O ATOM 120 CB PHE A 38 9.887 1.154 -8.043 1.00 0.00 C ATOM 121 CG PHE A 38 8.478 0.577 -8.047 1.00 0.00 C ATOM 122 CD1 PHE A 38 7.352 1.379 -7.765 1.00 0.00 C ATOM 123 CD2 PHE A 38 8.294 -0.792 -8.312 1.00 0.00 C ATOM 124 CE1 PHE A 38 6.070 0.804 -7.710 1.00 0.00 C ATOM 125 CE2 PHE A 38 7.019 -1.375 -8.221 1.00 0.00 C ATOM 126 CZ PHE A 38 5.909 -0.579 -7.901 1.00 0.00 C ATOM 0 H PHE A 38 9.403 3.361 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 38 9.989 1.058 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 38 9.933 1.971 -8.763 1.00 0.00 H new ATOM 0 HB3 PHE A 38 10.581 0.387 -8.386 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.475 2.438 -7.591 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.142 -1.401 -8.588 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.208 1.426 -7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 38 6.894 -2.433 -8.397 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.932 -1.028 -7.802 1.00 0.00 H new ATOM 136 N SER A 39 12.449 0.413 -6.378 1.00 0.00 N ATOM 137 CA SER A 39 13.880 0.183 -6.575 1.00 0.00 C ATOM 138 C SER A 39 14.189 -0.195 -8.019 1.00 0.00 C ATOM 139 O SER A 39 13.303 -0.643 -8.750 1.00 0.00 O ATOM 140 CB SER A 39 14.394 -0.891 -5.608 1.00 0.00 C ATOM 141 OG SER A 39 13.865 -2.166 -5.931 1.00 0.00 O ATOM 0 H SER A 39 11.927 -0.411 -6.079 1.00 0.00 H new ATOM 0 HA SER A 39 14.400 1.117 -6.360 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.483 -0.926 -5.644 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.118 -0.627 -4.587 1.00 0.00 H new ATOM 0 HG SER A 39 14.210 -2.832 -5.301 1.00 0.00 H new ATOM 147 N ASP A 40 15.451 -0.050 -8.434 1.00 0.00 N ATOM 148 CA ASP A 40 15.923 -0.525 -9.737 1.00 0.00 C ATOM 149 C ASP A 40 15.549 -1.991 -9.984 1.00 0.00 C ATOM 150 O ASP A 40 15.108 -2.320 -11.080 1.00 0.00 O ATOM 151 CB ASP A 40 17.439 -0.285 -9.888 1.00 0.00 C ATOM 152 CG ASP A 40 18.327 -1.160 -8.974 1.00 0.00 C ATOM 153 OD1 ASP A 40 18.244 -1.012 -7.732 1.00 0.00 O ATOM 154 OD2 ASP A 40 19.104 -1.986 -9.506 1.00 0.00 O ATOM 0 H ASP A 40 16.175 0.401 -7.875 1.00 0.00 H new ATOM 0 HA ASP A 40 15.414 0.056 -10.506 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.720 -0.466 -10.925 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.649 0.764 -9.679 1.00 0.00 H new ATOM 159 N GLU A 41 15.639 -2.854 -8.966 1.00 0.00 N ATOM 160 CA GLU A 41 15.238 -4.274 -9.021 1.00 0.00 C ATOM 161 C GLU A 41 13.748 -4.454 -9.288 1.00 0.00 C ATOM 162 O GLU A 41 13.370 -5.112 -10.254 1.00 0.00 O ATOM 163 CB GLU A 41 15.577 -4.983 -7.704 1.00 0.00 C ATOM 164 CG GLU A 41 17.069 -4.988 -7.379 1.00 0.00 C ATOM 165 CD GLU A 41 17.715 -6.302 -7.800 1.00 0.00 C ATOM 166 OE1 GLU A 41 18.095 -6.432 -8.986 1.00 0.00 O ATOM 167 OE2 GLU A 41 17.848 -7.200 -6.938 1.00 0.00 O ATOM 0 H GLU A 41 16.003 -2.581 -8.053 1.00 0.00 H new ATOM 0 HA GLU A 41 15.795 -4.712 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.038 -4.497 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.221 -6.012 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 41 17.559 -4.158 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.212 -4.834 -6.309 1.00 0.00 H new ATOM 174 N GLN A 42 12.897 -3.835 -8.465 1.00 0.00 N ATOM 175 CA GLN A 42 11.429 -3.908 -8.608 1.00 0.00 C ATOM 176 C GLN A 42 10.926 -3.253 -9.916 1.00 0.00 C ATOM 177 O GLN A 42 9.976 -3.742 -10.530 1.00 0.00 O ATOM 178 CB GLN A 42 10.726 -3.304 -7.381 1.00 0.00 C ATOM 179 CG GLN A 42 11.028 -4.034 -6.062 1.00 0.00 C ATOM 180 CD GLN A 42 10.591 -5.484 -6.062 1.00 0.00 C ATOM 181 OE1 GLN A 42 9.438 -5.807 -6.297 1.00 0.00 O ATOM 182 NE2 GLN A 42 11.493 -6.403 -5.790 1.00 0.00 N ATOM 0 H GLN A 42 13.202 -3.265 -7.676 1.00 0.00 H new ATOM 0 HA GLN A 42 11.170 -4.965 -8.668 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.024 -2.260 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.649 -3.314 -7.551 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.099 -3.985 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 42 10.530 -3.512 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 42 12.456 -6.130 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.229 -7.388 -5.775 1.00 0.00 H new ATOM 191 N TYR A 43 11.591 -2.194 -10.392 1.00 0.00 N ATOM 192 CA TYR A 43 11.335 -1.553 -11.695 1.00 0.00 C ATOM 193 C TYR A 43 11.693 -2.467 -12.868 1.00 0.00 C ATOM 194 O TYR A 43 10.900 -2.701 -13.777 1.00 0.00 O ATOM 195 CB TYR A 43 12.196 -0.290 -11.801 1.00 0.00 C ATOM 196 CG TYR A 43 11.758 0.697 -12.867 1.00 0.00 C ATOM 197 CD1 TYR A 43 12.138 0.510 -14.210 1.00 0.00 C ATOM 198 CD2 TYR A 43 10.978 1.815 -12.513 1.00 0.00 C ATOM 199 CE1 TYR A 43 11.738 1.435 -15.192 1.00 0.00 C ATOM 200 CE2 TYR A 43 10.594 2.746 -13.496 1.00 0.00 C ATOM 201 CZ TYR A 43 10.968 2.553 -14.836 1.00 0.00 C ATOM 202 OH TYR A 43 10.592 3.447 -15.792 1.00 0.00 O ATOM 0 H TYR A 43 12.343 -1.744 -9.870 1.00 0.00 H new ATOM 0 HA TYR A 43 10.270 -1.325 -11.747 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.193 0.216 -10.835 1.00 0.00 H new ATOM 0 HB3 TYR A 43 13.226 -0.586 -12.002 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.737 -0.345 -14.487 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.674 1.958 -11.486 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.024 1.284 -16.222 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.010 3.611 -13.219 1.00 0.00 H new ATOM 0 HH TYR A 43 10.063 4.162 -15.381 1.00 0.00 H new ATOM 212 N GLN A 44 12.901 -3.021 -12.814 1.00 0.00 N ATOM 213 CA GLN A 44 13.412 -3.991 -13.799 1.00 0.00 C ATOM 214 C GLN A 44 12.538 -5.247 -13.902 1.00 0.00 C ATOM 215 O GLN A 44 12.331 -5.786 -14.985 1.00 0.00 O ATOM 216 CB GLN A 44 14.848 -4.414 -13.474 1.00 0.00 C ATOM 217 CG GLN A 44 15.869 -3.383 -13.972 1.00 0.00 C ATOM 218 CD GLN A 44 17.259 -3.699 -13.467 1.00 0.00 C ATOM 219 OE1 GLN A 44 18.130 -4.147 -14.202 1.00 0.00 O ATOM 220 NE2 GLN A 44 17.498 -3.473 -12.195 1.00 0.00 N ATOM 0 H GLN A 44 13.570 -2.810 -12.074 1.00 0.00 H new ATOM 0 HA GLN A 44 13.387 -3.475 -14.759 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.955 -4.541 -12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.055 -5.382 -13.931 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.871 -3.367 -15.062 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.576 -2.387 -13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 44 16.762 -3.100 -11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 44 18.420 -3.671 -11.806 1.00 0.00 H new ATOM 229 N LYS A 45 11.970 -5.681 -12.783 1.00 0.00 N ATOM 230 CA LYS A 45 10.955 -6.728 -12.708 1.00 0.00 C ATOM 231 C LYS A 45 9.648 -6.395 -13.460 1.00 0.00 C ATOM 232 O LYS A 45 8.985 -7.326 -13.919 1.00 0.00 O ATOM 233 CB LYS A 45 10.719 -7.066 -11.227 1.00 0.00 C ATOM 234 CG LYS A 45 11.229 -8.468 -10.845 1.00 0.00 C ATOM 235 CD LYS A 45 12.763 -8.593 -10.927 1.00 0.00 C ATOM 236 CE LYS A 45 13.262 -10.027 -10.684 1.00 0.00 C ATOM 237 NZ LYS A 45 13.063 -10.485 -9.291 1.00 0.00 N ATOM 0 H LYS A 45 12.212 -5.300 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 45 11.331 -7.607 -13.232 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.217 -6.322 -10.606 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.653 -7.001 -11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.904 -8.703 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.774 -9.207 -11.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.097 -8.259 -11.909 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.216 -7.927 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.742 -10.705 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.322 -10.082 -10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.419 -11.457 -9.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.581 -9.858 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.049 -10.462 -9.059 1.00 0.00 H new ATOM 251 N LEU A 46 9.306 -5.114 -13.682 1.00 0.00 N ATOM 252 CA LEU A 46 8.356 -4.752 -14.741 1.00 0.00 C ATOM 253 C LEU A 46 9.008 -4.674 -16.127 1.00 0.00 C ATOM 254 O LEU A 46 8.472 -5.251 -17.067 1.00 0.00 O ATOM 255 CB LEU A 46 7.644 -3.423 -14.430 1.00 0.00 C ATOM 256 CG LEU A 46 6.332 -3.462 -13.618 1.00 0.00 C ATOM 257 CD1 LEU A 46 5.469 -2.257 -14.022 1.00 0.00 C ATOM 258 CD2 LEU A 46 5.480 -4.714 -13.822 1.00 0.00 C ATOM 0 H LEU A 46 9.669 -4.324 -13.149 1.00 0.00 H new ATOM 0 HA LEU A 46 7.621 -5.557 -14.765 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.348 -2.788 -13.892 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.432 -2.931 -15.379 1.00 0.00 H new ATOM 0 HG LEU A 46 6.637 -3.451 -12.572 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.537 -2.271 -13.456 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.009 -1.335 -13.809 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.247 -2.310 -15.088 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.581 -4.646 -13.209 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.198 -4.795 -14.872 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.052 -5.595 -13.531 1.00 0.00 H new ATOM 270 N GLU A 47 10.151 -4.000 -16.282 1.00 0.00 N ATOM 271 CA GLU A 47 10.819 -3.797 -17.591 1.00 0.00 C ATOM 272 C GLU A 47 11.072 -5.094 -18.361 1.00 0.00 C ATOM 273 O GLU A 47 10.853 -5.162 -19.571 1.00 0.00 O ATOM 274 CB GLU A 47 12.123 -3.013 -17.407 1.00 0.00 C ATOM 275 CG GLU A 47 12.670 -2.449 -18.715 1.00 0.00 C ATOM 276 CD GLU A 47 13.946 -1.664 -18.440 1.00 0.00 C ATOM 277 OE1 GLU A 47 15.036 -2.280 -18.453 1.00 0.00 O ATOM 278 OE2 GLU A 47 13.857 -0.435 -18.226 1.00 0.00 O ATOM 0 H GLU A 47 10.651 -3.573 -15.502 1.00 0.00 H new ATOM 0 HA GLU A 47 10.126 -3.218 -18.202 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.952 -2.194 -16.708 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.872 -3.665 -16.958 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.873 -3.259 -19.415 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.927 -1.803 -19.183 1.00 0.00 H new ATOM 285 N LYS A 48 11.451 -6.151 -17.647 1.00 0.00 N ATOM 286 CA LYS A 48 11.723 -7.467 -18.217 1.00 0.00 C ATOM 287 C LYS A 48 10.450 -8.184 -18.722 1.00 0.00 C ATOM 288 O LYS A 48 10.512 -8.919 -19.709 1.00 0.00 O ATOM 289 CB LYS A 48 12.504 -8.305 -17.191 1.00 0.00 C ATOM 290 CG LYS A 48 13.287 -9.451 -17.855 1.00 0.00 C ATOM 291 CD LYS A 48 14.177 -10.174 -16.830 1.00 0.00 C ATOM 292 CE LYS A 48 15.049 -11.274 -17.458 1.00 0.00 C ATOM 293 NZ LYS A 48 16.154 -10.734 -18.284 1.00 0.00 N ATOM 0 H LYS A 48 11.580 -6.115 -16.636 1.00 0.00 H new ATOM 0 HA LYS A 48 12.336 -7.336 -19.109 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.196 -7.661 -16.649 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.811 -8.717 -16.458 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.591 -10.160 -18.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.903 -9.056 -18.663 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.821 -9.445 -16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.547 -10.615 -16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.465 -11.897 -16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.423 -11.919 -18.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.707 -11.520 -18.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.761 -10.162 -19.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.771 -10.140 -17.693 1.00 0.00 H new ATOM 307 N MET A 49 9.281 -7.940 -18.110 1.00 0.00 N ATOM 308 CA MET A 49 7.988 -8.381 -18.612 1.00 0.00 C ATOM 309 C MET A 49 7.455 -7.465 -19.726 1.00 0.00 C ATOM 310 O MET A 49 6.928 -7.929 -20.734 1.00 0.00 O ATOM 311 CB MET A 49 7.005 -8.327 -17.447 1.00 0.00 C ATOM 312 CG MET A 49 7.198 -9.431 -16.408 1.00 0.00 C ATOM 313 SD MET A 49 5.721 -9.718 -15.398 1.00 0.00 S ATOM 314 CE MET A 49 5.517 -8.088 -14.634 1.00 0.00 C ATOM 0 H MET A 49 9.216 -7.419 -17.235 1.00 0.00 H new ATOM 0 HA MET A 49 8.098 -9.384 -19.024 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.098 -7.360 -16.953 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.990 -8.388 -17.840 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.470 -10.357 -16.915 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.031 -9.168 -15.757 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.635 -8.094 -13.993 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.398 -7.853 -14.037 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.394 -7.334 -15.412 1.00 0.00 H new ATOM 324 N ALA A 50 7.628 -6.152 -19.569 1.00 0.00 N ATOM 325 CA ALA A 50 7.185 -5.123 -20.498 1.00 0.00 C ATOM 326 C ALA A 50 7.790 -5.277 -21.898 1.00 0.00 C ATOM 327 O ALA A 50 7.099 -5.041 -22.881 1.00 0.00 O ATOM 328 CB ALA A 50 7.513 -3.763 -19.879 1.00 0.00 C ATOM 0 H ALA A 50 8.102 -5.764 -18.753 1.00 0.00 H new ATOM 0 HA ALA A 50 6.110 -5.219 -20.651 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.192 -2.969 -20.554 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.993 -3.662 -18.926 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.588 -3.687 -19.715 1.00 0.00 H new ATOM 334 N ASN A 51 9.031 -5.748 -22.030 1.00 0.00 N ATOM 335 CA ASN A 51 9.624 -6.066 -23.332 1.00 0.00 C ATOM 336 C ASN A 51 8.880 -7.186 -24.107 1.00 0.00 C ATOM 337 O ASN A 51 8.848 -7.160 -25.337 1.00 0.00 O ATOM 338 CB ASN A 51 11.105 -6.377 -23.103 1.00 0.00 C ATOM 339 CG ASN A 51 11.838 -6.732 -24.388 1.00 0.00 C ATOM 340 OD1 ASN A 51 12.073 -7.896 -24.688 1.00 0.00 O ATOM 341 ND2 ASN A 51 12.215 -5.747 -25.180 1.00 0.00 N ATOM 0 H ASN A 51 9.653 -5.920 -21.240 1.00 0.00 H new ATOM 0 HA ASN A 51 9.522 -5.202 -23.989 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.586 -5.514 -22.642 1.00 0.00 H new ATOM 0 HB3 ASN A 51 11.193 -7.205 -22.399 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.706 -5.952 -26.050 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.015 -4.781 -24.922 1.00 0.00 H new ATOM 348 N GLU A 52 8.204 -8.112 -23.409 1.00 0.00 N ATOM 349 CA GLU A 52 7.286 -9.113 -23.998 1.00 0.00 C ATOM 350 C GLU A 52 5.956 -8.504 -24.469 1.00 0.00 C ATOM 351 O GLU A 52 5.344 -8.994 -25.418 1.00 0.00 O ATOM 352 CB GLU A 52 7.017 -10.260 -23.009 1.00 0.00 C ATOM 353 CG GLU A 52 6.539 -11.534 -23.703 1.00 0.00 C ATOM 354 CD GLU A 52 6.386 -12.656 -22.685 1.00 0.00 C ATOM 355 OE1 GLU A 52 5.281 -12.800 -22.117 1.00 0.00 O ATOM 356 OE2 GLU A 52 7.367 -13.405 -22.471 1.00 0.00 O ATOM 0 H GLU A 52 8.279 -8.192 -22.395 1.00 0.00 H new ATOM 0 HA GLU A 52 7.791 -9.506 -24.881 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.928 -10.475 -22.451 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.267 -9.942 -22.285 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.587 -11.351 -24.201 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.251 -11.827 -24.475 1.00 0.00 H new ATOM 363 N GLU A 53 5.553 -7.386 -23.852 1.00 0.00 N ATOM 364 CA GLU A 53 4.440 -6.494 -24.262 1.00 0.00 C ATOM 365 C GLU A 53 4.884 -5.424 -25.277 1.00 0.00 C ATOM 366 O GLU A 53 4.081 -4.612 -25.735 1.00 0.00 O ATOM 367 CB GLU A 53 3.829 -5.838 -23.009 1.00 0.00 C ATOM 368 CG GLU A 53 2.383 -5.353 -23.125 1.00 0.00 C ATOM 369 CD GLU A 53 1.413 -6.511 -23.329 1.00 0.00 C ATOM 370 OE1 GLU A 53 1.056 -7.171 -22.328 1.00 0.00 O ATOM 371 OE2 GLU A 53 0.966 -6.722 -24.479 1.00 0.00 O ATOM 0 H GLU A 53 6.015 -7.054 -23.005 1.00 0.00 H new ATOM 0 HA GLU A 53 3.689 -7.102 -24.766 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.883 -6.554 -22.189 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.452 -4.988 -22.732 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.110 -4.805 -22.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.299 -4.657 -23.959 1.00 0.00 H new ATOM 378 N GLU A 54 6.170 -5.444 -25.652 1.00 0.00 N ATOM 379 CA GLU A 54 6.850 -4.533 -26.600 1.00 0.00 C ATOM 380 C GLU A 54 7.000 -3.103 -26.055 1.00 0.00 C ATOM 381 O GLU A 54 6.750 -2.112 -26.744 1.00 0.00 O ATOM 382 CB GLU A 54 6.226 -4.622 -28.008 1.00 0.00 C ATOM 383 CG GLU A 54 7.255 -4.319 -29.094 1.00 0.00 C ATOM 384 CD GLU A 54 6.596 -4.368 -30.466 1.00 0.00 C ATOM 385 OE1 GLU A 54 6.553 -5.465 -31.068 1.00 0.00 O ATOM 386 OE2 GLU A 54 6.138 -3.308 -30.951 1.00 0.00 O ATOM 0 H GLU A 54 6.812 -6.143 -25.279 1.00 0.00 H new ATOM 0 HA GLU A 54 7.878 -4.878 -26.710 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.815 -5.619 -28.163 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.396 -3.919 -28.085 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.693 -3.335 -28.927 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.069 -5.042 -29.047 1.00 0.00 H new ATOM 393 N GLU A 55 7.420 -3.033 -24.787 1.00 0.00 N ATOM 394 CA GLU A 55 7.588 -1.854 -23.910 1.00 0.00 C ATOM 395 C GLU A 55 6.266 -1.196 -23.493 1.00 0.00 C ATOM 396 O GLU A 55 5.555 -0.588 -24.291 1.00 0.00 O ATOM 397 CB GLU A 55 8.574 -0.819 -24.466 1.00 0.00 C ATOM 398 CG GLU A 55 9.950 -1.417 -24.766 1.00 0.00 C ATOM 399 CD GLU A 55 10.906 -0.319 -25.212 1.00 0.00 C ATOM 400 OE1 GLU A 55 11.550 0.302 -24.337 1.00 0.00 O ATOM 401 OE2 GLU A 55 11.022 -0.088 -26.437 1.00 0.00 O ATOM 0 H GLU A 55 7.679 -3.886 -24.292 1.00 0.00 H new ATOM 0 HA GLU A 55 8.030 -2.262 -23.001 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.164 -0.386 -25.378 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.684 -0.006 -23.748 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.342 -1.914 -23.878 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.865 -2.175 -25.544 1.00 0.00 H new ATOM 408 N SER A 56 5.950 -1.334 -22.204 1.00 0.00 N ATOM 409 CA SER A 56 4.703 -0.898 -21.557 1.00 0.00 C ATOM 410 C SER A 56 4.937 -0.607 -20.053 1.00 0.00 C ATOM 411 O SER A 56 4.078 -0.828 -19.197 1.00 0.00 O ATOM 412 CB SER A 56 3.634 -1.985 -21.782 1.00 0.00 C ATOM 413 OG SER A 56 2.323 -1.497 -21.543 1.00 0.00 O ATOM 0 H SER A 56 6.590 -1.777 -21.544 1.00 0.00 H new ATOM 0 HA SER A 56 4.353 0.035 -21.998 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.703 -2.355 -22.805 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.832 -2.831 -21.123 1.00 0.00 H new ATOM 0 HG SER A 56 1.674 -2.215 -21.697 1.00 0.00 H new ATOM 419 N VAL A 57 6.160 -0.196 -19.686 1.00 0.00 N ATOM 420 CA VAL A 57 6.553 0.006 -18.275 1.00 0.00 C ATOM 421 C VAL A 57 5.659 1.031 -17.557 1.00 0.00 C ATOM 422 O VAL A 57 5.354 2.102 -18.081 1.00 0.00 O ATOM 423 CB VAL A 57 8.036 0.404 -18.084 1.00 0.00 C ATOM 424 CG1 VAL A 57 8.930 -0.839 -18.043 1.00 0.00 C ATOM 425 CG2 VAL A 57 8.573 1.344 -19.170 1.00 0.00 C ATOM 0 H VAL A 57 6.905 0.006 -20.353 1.00 0.00 H new ATOM 0 HA VAL A 57 6.414 -0.975 -17.821 1.00 0.00 H new ATOM 0 HB VAL A 57 8.065 0.941 -17.136 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.968 -0.536 -17.908 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.627 -1.478 -17.213 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.831 -1.389 -18.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.618 1.577 -18.966 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.493 0.859 -20.143 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.991 2.265 -19.174 1.00 0.00 H new ATOM 435 N GLY A 58 5.193 0.673 -16.360 1.00 0.00 N ATOM 436 CA GLY A 58 4.239 1.434 -15.537 1.00 0.00 C ATOM 437 C GLY A 58 2.787 1.129 -15.911 1.00 0.00 C ATOM 438 O GLY A 58 1.966 0.795 -15.060 1.00 0.00 O ATOM 0 H GLY A 58 5.482 -0.197 -15.912 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.399 1.198 -14.485 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.428 2.501 -15.657 1.00 0.00 H new ATOM 442 N SER A 59 2.488 1.097 -17.204 1.00 0.00 N ATOM 443 CA SER A 59 1.194 0.655 -17.732 1.00 0.00 C ATOM 444 C SER A 59 0.930 -0.836 -17.446 1.00 0.00 C ATOM 445 O SER A 59 -0.207 -1.235 -17.184 1.00 0.00 O ATOM 446 CB SER A 59 1.155 0.913 -19.237 1.00 0.00 C ATOM 447 OG SER A 59 1.316 2.292 -19.533 1.00 0.00 O ATOM 0 H SER A 59 3.145 1.381 -17.930 1.00 0.00 H new ATOM 0 HA SER A 59 0.411 1.223 -17.230 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.943 0.340 -19.726 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.207 0.561 -19.643 1.00 0.00 H new ATOM 0 HG SER A 59 1.288 2.424 -20.504 1.00 0.00 H new ATOM 453 N TYR A 60 1.991 -1.651 -17.401 1.00 0.00 N ATOM 454 CA TYR A 60 1.962 -3.031 -16.897 1.00 0.00 C ATOM 455 C TYR A 60 1.478 -3.112 -15.434 1.00 0.00 C ATOM 456 O TYR A 60 0.681 -3.975 -15.082 1.00 0.00 O ATOM 457 CB TYR A 60 3.354 -3.664 -17.037 1.00 0.00 C ATOM 458 CG TYR A 60 3.330 -5.143 -17.379 1.00 0.00 C ATOM 459 CD1 TYR A 60 2.927 -6.091 -16.416 1.00 0.00 C ATOM 460 CD2 TYR A 60 3.701 -5.576 -18.669 1.00 0.00 C ATOM 461 CE1 TYR A 60 2.878 -7.457 -16.748 1.00 0.00 C ATOM 462 CE2 TYR A 60 3.663 -6.946 -18.992 1.00 0.00 C ATOM 463 CZ TYR A 60 3.243 -7.885 -18.034 1.00 0.00 C ATOM 464 OH TYR A 60 3.195 -9.210 -18.348 1.00 0.00 O ATOM 0 H TYR A 60 2.916 -1.363 -17.721 1.00 0.00 H new ATOM 0 HA TYR A 60 1.244 -3.587 -17.499 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.907 -3.132 -17.811 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.900 -3.527 -16.103 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.656 -5.768 -15.422 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.015 -4.856 -19.410 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.558 -8.179 -16.011 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.957 -7.276 -19.977 1.00 0.00 H new ATOM 0 HH TYR A 60 3.478 -9.336 -19.278 1.00 0.00 H new ATOM 474 N ILE A 61 1.913 -2.168 -14.592 1.00 0.00 N ATOM 475 CA ILE A 61 1.499 -2.051 -13.174 1.00 0.00 C ATOM 476 C ILE A 61 -0.003 -1.793 -13.069 1.00 0.00 C ATOM 477 O ILE A 61 -0.729 -2.512 -12.381 1.00 0.00 O ATOM 478 CB ILE A 61 2.348 -0.969 -12.438 1.00 0.00 C ATOM 479 CG1 ILE A 61 3.158 -1.649 -11.322 1.00 0.00 C ATOM 480 CG2 ILE A 61 1.596 0.240 -11.830 1.00 0.00 C ATOM 481 CD1 ILE A 61 4.307 -0.776 -10.824 1.00 0.00 C ATOM 0 H ILE A 61 2.576 -1.446 -14.875 1.00 0.00 H new ATOM 0 HA ILE A 61 1.692 -2.998 -12.671 1.00 0.00 H new ATOM 0 HB ILE A 61 2.962 -0.536 -13.227 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.496 -1.885 -10.488 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.556 -2.594 -11.690 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.310 0.909 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.070 0.776 -12.620 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.877 -0.113 -11.090 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.848 -1.301 -10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.985 -0.562 -11.650 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.909 0.159 -10.429 1.00 0.00 H new ATOM 493 N LYS A 62 -0.474 -0.800 -13.823 1.00 0.00 N ATOM 494 CA LYS A 62 -1.873 -0.409 -13.840 1.00 0.00 C ATOM 495 C LYS A 62 -2.754 -1.578 -14.303 1.00 0.00 C ATOM 496 O LYS A 62 -3.670 -1.982 -13.592 1.00 0.00 O ATOM 497 CB LYS A 62 -2.009 0.848 -14.715 1.00 0.00 C ATOM 498 CG LYS A 62 -3.442 1.381 -14.879 1.00 0.00 C ATOM 499 CD LYS A 62 -3.427 2.844 -15.363 1.00 0.00 C ATOM 500 CE LYS A 62 -4.832 3.420 -15.598 1.00 0.00 C ATOM 501 NZ LYS A 62 -5.444 2.951 -16.864 1.00 0.00 N ATOM 0 H LYS A 62 0.114 -0.243 -14.443 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.224 -0.161 -12.838 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.392 1.638 -14.287 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.605 0.628 -15.703 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.986 0.762 -15.593 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.972 1.312 -13.929 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.909 3.458 -14.627 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.856 2.907 -16.289 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.477 3.143 -14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.776 4.508 -15.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.389 3.371 -16.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.847 3.238 -17.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.526 1.914 -16.847 1.00 0.00 H new ATOM 515 N ARG A 63 -2.436 -2.210 -15.435 1.00 0.00 N ATOM 516 CA ARG A 63 -3.220 -3.358 -15.908 1.00 0.00 C ATOM 517 C ARG A 63 -3.202 -4.557 -14.932 1.00 0.00 C ATOM 518 O ARG A 63 -4.210 -5.243 -14.823 1.00 0.00 O ATOM 519 CB ARG A 63 -2.874 -3.760 -17.353 1.00 0.00 C ATOM 520 CG ARG A 63 -1.510 -4.447 -17.508 1.00 0.00 C ATOM 521 CD ARG A 63 -1.163 -4.796 -18.960 1.00 0.00 C ATOM 522 NE ARG A 63 -1.009 -3.590 -19.796 1.00 0.00 N ATOM 523 CZ ARG A 63 -0.958 -3.556 -21.117 1.00 0.00 C ATOM 524 NH1 ARG A 63 -0.959 -4.639 -21.846 1.00 0.00 N ATOM 525 NH2 ARG A 63 -0.903 -2.415 -21.747 1.00 0.00 N ATOM 0 H ARG A 63 -1.653 -1.953 -16.035 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.255 -3.016 -15.928 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.649 -4.429 -17.727 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.892 -2.869 -17.980 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.736 -3.795 -17.104 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.501 -5.359 -16.911 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.239 -5.374 -18.983 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.946 -5.429 -19.378 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.935 -2.697 -19.308 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.000 -5.555 -21.399 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.919 -4.569 -22.863 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.899 -1.541 -21.221 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.864 -2.396 -22.766 1.00 0.00 H new ATOM 539 N TYR A 64 -2.132 -4.779 -14.159 1.00 0.00 N ATOM 540 CA TYR A 64 -2.059 -5.843 -13.137 1.00 0.00 C ATOM 541 C TYR A 64 -3.024 -5.578 -11.965 1.00 0.00 C ATOM 542 O TYR A 64 -3.770 -6.454 -11.531 1.00 0.00 O ATOM 543 CB TYR A 64 -0.617 -5.965 -12.603 1.00 0.00 C ATOM 544 CG TYR A 64 -0.108 -7.366 -12.285 1.00 0.00 C ATOM 545 CD1 TYR A 64 -0.902 -8.298 -11.585 1.00 0.00 C ATOM 546 CD2 TYR A 64 1.203 -7.726 -12.661 1.00 0.00 C ATOM 547 CE1 TYR A 64 -0.399 -9.577 -11.284 1.00 0.00 C ATOM 548 CE2 TYR A 64 1.708 -9.002 -12.350 1.00 0.00 C ATOM 549 CZ TYR A 64 0.905 -9.927 -11.666 1.00 0.00 C ATOM 550 OH TYR A 64 1.393 -11.163 -11.366 1.00 0.00 O ATOM 0 H TYR A 64 -1.280 -4.221 -14.222 1.00 0.00 H new ATOM 0 HA TYR A 64 -2.357 -6.777 -13.613 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.054 -5.521 -13.338 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.540 -5.364 -11.697 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.902 -8.028 -11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.823 -7.018 -13.191 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.017 -10.290 -10.759 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.714 -9.269 -12.638 1.00 0.00 H new ATOM 0 HH TYR A 64 0.656 -11.809 -11.342 1.00 0.00 H new ATOM 560 N ILE A 65 -3.064 -4.333 -11.497 1.00 0.00 N ATOM 561 CA ILE A 65 -3.997 -3.859 -10.465 1.00 0.00 C ATOM 562 C ILE A 65 -5.443 -3.967 -10.967 1.00 0.00 C ATOM 563 O ILE A 65 -6.314 -4.456 -10.251 1.00 0.00 O ATOM 564 CB ILE A 65 -3.644 -2.414 -10.038 1.00 0.00 C ATOM 565 CG1 ILE A 65 -2.372 -2.335 -9.167 1.00 0.00 C ATOM 566 CG2 ILE A 65 -4.802 -1.712 -9.313 1.00 0.00 C ATOM 567 CD1 ILE A 65 -2.480 -2.951 -7.762 1.00 0.00 C ATOM 0 H ILE A 65 -2.434 -3.603 -11.830 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.904 -4.492 -9.583 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.450 -1.890 -10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.560 -2.831 -9.699 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.091 -1.287 -9.062 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.499 -0.702 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.668 -1.663 -9.973 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.061 -2.272 -8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.529 -2.838 -7.241 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.264 -2.442 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.724 -4.010 -7.847 1.00 0.00 H new ATOM 579 N LEU A 66 -5.692 -3.583 -12.220 1.00 0.00 N ATOM 580 CA LEU A 66 -7.029 -3.611 -12.823 1.00 0.00 C ATOM 581 C LEU A 66 -7.481 -5.060 -13.098 1.00 0.00 C ATOM 582 O LEU A 66 -8.657 -5.392 -12.947 1.00 0.00 O ATOM 583 CB LEU A 66 -6.996 -2.754 -14.099 1.00 0.00 C ATOM 584 CG LEU A 66 -7.164 -1.229 -13.897 1.00 0.00 C ATOM 585 CD1 LEU A 66 -6.538 -0.608 -12.644 1.00 0.00 C ATOM 586 CD2 LEU A 66 -6.561 -0.513 -15.103 1.00 0.00 C ATOM 0 H LEU A 66 -4.967 -3.241 -12.851 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.765 -3.194 -12.136 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.048 -2.931 -14.607 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.785 -3.101 -14.766 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.239 -1.098 -13.776 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.734 0.464 -12.633 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.973 -1.066 -11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.462 -0.780 -12.651 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.670 0.564 -14.979 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.503 -0.764 -15.184 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.078 -0.828 -16.009 1.00 0.00 H new ATOM 598 N LYS A 67 -6.531 -5.944 -13.415 1.00 0.00 N ATOM 599 CA LYS A 67 -6.738 -7.386 -13.525 1.00 0.00 C ATOM 600 C LYS A 67 -7.109 -8.010 -12.169 1.00 0.00 C ATOM 601 O LYS A 67 -8.073 -8.771 -12.073 1.00 0.00 O ATOM 602 CB LYS A 67 -5.467 -8.019 -14.114 1.00 0.00 C ATOM 603 CG LYS A 67 -5.608 -9.519 -14.412 1.00 0.00 C ATOM 604 CD LYS A 67 -4.341 -10.050 -15.104 1.00 0.00 C ATOM 605 CE LYS A 67 -4.452 -11.522 -15.534 1.00 0.00 C ATOM 606 NZ LYS A 67 -4.456 -12.462 -14.390 1.00 0.00 N ATOM 0 H LYS A 67 -5.569 -5.665 -13.607 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.580 -7.582 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.205 -7.497 -15.034 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.642 -7.872 -13.418 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.780 -10.066 -13.485 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.476 -9.690 -15.048 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.131 -9.438 -15.981 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.493 -9.940 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.366 -11.658 -16.111 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.619 -11.765 -16.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.533 -13.437 -14.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.573 -12.357 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.266 -12.253 -13.772 1.00 0.00 H new ATOM 620 N ALA A 68 -6.385 -7.641 -11.109 1.00 0.00 N ATOM 621 CA ALA A 68 -6.663 -8.091 -9.745 1.00 0.00 C ATOM 622 C ALA A 68 -8.006 -7.563 -9.201 1.00 0.00 C ATOM 623 O ALA A 68 -8.703 -8.270 -8.474 1.00 0.00 O ATOM 624 CB ALA A 68 -5.506 -7.659 -8.843 1.00 0.00 C ATOM 0 H ALA A 68 -5.582 -7.016 -11.176 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.751 -9.177 -9.757 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.699 -7.987 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.579 -8.108 -9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.414 -6.573 -8.864 1.00 0.00 H new ATOM 630 N LEU A 69 -8.411 -6.350 -9.593 1.00 0.00 N ATOM 631 CA LEU A 69 -9.609 -5.660 -9.098 1.00 0.00 C ATOM 632 C LEU A 69 -10.906 -6.426 -9.386 1.00 0.00 C ATOM 633 O LEU A 69 -11.869 -6.350 -8.622 1.00 0.00 O ATOM 634 CB LEU A 69 -9.678 -4.240 -9.700 1.00 0.00 C ATOM 635 CG LEU A 69 -9.867 -3.150 -8.638 1.00 0.00 C ATOM 636 CD1 LEU A 69 -8.603 -2.944 -7.807 1.00 0.00 C ATOM 637 CD2 LEU A 69 -10.207 -1.815 -9.297 1.00 0.00 C ATOM 0 H LEU A 69 -7.898 -5.804 -10.285 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.521 -5.601 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.762 -4.042 -10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.501 -4.193 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.679 -3.483 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.778 -2.164 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.345 -3.874 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.783 -2.647 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.338 -1.053 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.397 -1.522 -9.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.130 -1.916 -9.869 1.00 0.00 H new ATOM 649 N ARG A 70 -10.899 -7.199 -10.470 1.00 0.00 N ATOM 650 CA ARG A 70 -11.994 -8.090 -10.841 1.00 0.00 C ATOM 651 C ARG A 70 -12.257 -9.223 -9.820 1.00 0.00 C ATOM 652 O ARG A 70 -13.367 -9.759 -9.788 1.00 0.00 O ATOM 653 CB ARG A 70 -11.780 -8.644 -12.261 1.00 0.00 C ATOM 654 CG ARG A 70 -11.850 -7.520 -13.313 1.00 0.00 C ATOM 655 CD ARG A 70 -11.967 -8.045 -14.750 1.00 0.00 C ATOM 656 NE ARG A 70 -10.721 -8.664 -15.241 1.00 0.00 N ATOM 657 CZ ARG A 70 -9.750 -8.066 -15.911 1.00 0.00 C ATOM 658 NH1 ARG A 70 -9.699 -6.771 -16.070 1.00 0.00 N ATOM 659 NH2 ARG A 70 -8.790 -8.770 -16.446 1.00 0.00 N ATOM 0 H ARG A 70 -10.118 -7.223 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.900 -7.484 -10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.811 -9.140 -12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.537 -9.397 -12.479 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.705 -6.880 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.958 -6.898 -13.231 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.773 -8.777 -14.799 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.242 -7.222 -15.410 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.595 -9.657 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.427 -6.179 -15.670 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.931 -6.351 -16.594 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.787 -9.785 -16.348 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.043 -8.305 -16.962 1.00 0.00 H new ATOM 673 N LYS A 71 -11.274 -9.583 -8.978 1.00 0.00 N ATOM 674 CA LYS A 71 -11.396 -10.646 -7.966 1.00 0.00 C ATOM 675 C LYS A 71 -10.377 -10.548 -6.793 1.00 0.00 C ATOM 676 O LYS A 71 -9.698 -11.524 -6.463 1.00 0.00 O ATOM 677 CB LYS A 71 -11.407 -12.023 -8.655 1.00 0.00 C ATOM 678 CG LYS A 71 -12.278 -13.033 -7.885 1.00 0.00 C ATOM 679 CD LYS A 71 -12.333 -14.389 -8.604 1.00 0.00 C ATOM 680 CE LYS A 71 -13.293 -15.385 -7.932 1.00 0.00 C ATOM 681 NZ LYS A 71 -14.721 -15.031 -8.118 1.00 0.00 N ATOM 0 H LYS A 71 -10.357 -9.136 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.354 -10.502 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.783 -11.919 -9.673 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.388 -12.402 -8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.878 -13.168 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.287 -12.636 -7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.643 -14.234 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.332 -14.820 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.116 -16.381 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.072 -15.431 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.319 -15.738 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.902 -14.093 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.945 -15.014 -9.133 1.00 0.00 H new ATOM 695 N ILE A 72 -10.253 -9.374 -6.151 1.00 0.00 N ATOM 696 CA ILE A 72 -9.392 -9.159 -4.956 1.00 0.00 C ATOM 697 C ILE A 72 -9.574 -10.231 -3.851 1.00 0.00 C ATOM 698 O ILE A 72 -8.597 -10.638 -3.213 1.00 0.00 O ATOM 699 CB ILE A 72 -9.614 -7.733 -4.391 1.00 0.00 C ATOM 700 CG1 ILE A 72 -9.200 -6.641 -5.400 1.00 0.00 C ATOM 701 CG2 ILE A 72 -8.893 -7.487 -3.050 1.00 0.00 C ATOM 702 CD1 ILE A 72 -7.704 -6.581 -5.749 1.00 0.00 C ATOM 0 H ILE A 72 -10.750 -8.533 -6.444 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.361 -9.262 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.687 -7.668 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.762 -6.793 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.499 -5.672 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.091 -6.470 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.258 -8.194 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.820 -7.623 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.529 -5.778 -6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.127 -6.392 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.394 -7.530 -6.186 1.00 0.00 H new ATOM 714 N GLU A 73 -10.809 -10.717 -3.654 1.00 0.00 N ATOM 715 CA GLU A 73 -11.195 -11.781 -2.705 1.00 0.00 C ATOM 716 C GLU A 73 -12.367 -12.602 -3.258 1.00 0.00 C ATOM 717 O GLU A 73 -12.250 -13.845 -3.304 1.00 0.00 O ATOM 718 CB GLU A 73 -11.544 -11.166 -1.338 1.00 0.00 C ATOM 719 CG GLU A 73 -11.657 -12.183 -0.200 1.00 0.00 C ATOM 720 CD GLU A 73 -10.293 -12.719 0.225 1.00 0.00 C ATOM 721 OE1 GLU A 73 -9.572 -11.992 0.948 1.00 0.00 O ATOM 722 OE2 GLU A 73 -9.963 -13.873 -0.120 1.00 0.00 O ATOM 0 H GLU A 73 -11.609 -10.362 -4.178 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.351 -12.458 -2.572 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.782 -10.431 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.489 -10.629 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.146 -11.717 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.290 -13.012 -0.516 1.00 0.00 H new TER 729 GLU A 73 ATOM 730 N THR B 31 16.287 6.634 -5.833 1.00 0.00 N ATOM 731 CA THR B 31 15.112 5.805 -6.141 1.00 0.00 C ATOM 732 C THR B 31 14.620 6.005 -7.580 1.00 0.00 C ATOM 733 O THR B 31 15.021 6.947 -8.273 1.00 0.00 O ATOM 734 CB THR B 31 13.989 6.121 -5.140 1.00 0.00 C ATOM 735 OG1 THR B 31 12.937 5.193 -5.213 1.00 0.00 O ATOM 736 CG2 THR B 31 13.405 7.536 -5.226 1.00 0.00 C ATOM 0 HA THR B 31 15.405 4.759 -6.051 1.00 0.00 H new ATOM 0 HB THR B 31 14.495 6.049 -4.177 1.00 0.00 H new ATOM 0 HG1 THR B 31 12.620 4.986 -4.309 1.00 0.00 H new ATOM 0 HG21 THR B 31 12.622 7.652 -4.477 1.00 0.00 H new ATOM 0 HG22 THR B 31 14.193 8.267 -5.043 1.00 0.00 H new ATOM 0 HG23 THR B 31 12.985 7.696 -6.219 1.00 0.00 H new ATOM 744 N ARG B 32 13.746 5.112 -8.033 1.00 0.00 N ATOM 745 CA ARG B 32 13.020 5.231 -9.306 1.00 0.00 C ATOM 746 C ARG B 32 11.771 6.127 -9.161 1.00 0.00 C ATOM 747 O ARG B 32 11.398 6.541 -8.062 1.00 0.00 O ATOM 748 CB ARG B 32 12.636 3.830 -9.827 1.00 0.00 C ATOM 749 CG ARG B 32 13.845 2.947 -10.183 1.00 0.00 C ATOM 750 CD ARG B 32 14.491 3.385 -11.503 1.00 0.00 C ATOM 751 NE ARG B 32 15.685 2.576 -11.808 1.00 0.00 N ATOM 752 CZ ARG B 32 15.966 1.944 -12.938 1.00 0.00 C ATOM 753 NH1 ARG B 32 15.131 1.878 -13.939 1.00 0.00 N ATOM 754 NH2 ARG B 32 17.118 1.354 -13.089 1.00 0.00 N ATOM 0 H ARG B 32 13.513 4.263 -7.518 1.00 0.00 H new ATOM 0 HA ARG B 32 13.678 5.708 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG B 32 12.038 3.323 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG B 32 12.006 3.941 -10.710 1.00 0.00 H new ATOM 0 HG2 ARG B 32 14.582 2.997 -9.382 1.00 0.00 H new ATOM 0 HG3 ARG B 32 13.528 1.907 -10.259 1.00 0.00 H new ATOM 0 HD2 ARG B 32 13.768 3.291 -12.313 1.00 0.00 H new ATOM 0 HD3 ARG B 32 14.768 4.438 -11.444 1.00 0.00 H new ATOM 0 HE ARG B 32 16.376 2.493 -11.062 1.00 0.00 H new ATOM 0 HH11 ARG B 32 14.217 2.325 -13.871 1.00 0.00 H new ATOM 0 HH12 ARG B 32 15.393 1.379 -14.789 1.00 0.00 H new ATOM 0 HH21 ARG B 32 17.806 1.378 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG B 32 17.332 0.868 -13.960 1.00 0.00 H new ATOM 768 N ALA B 33 11.095 6.387 -10.280 1.00 0.00 N ATOM 769 CA ALA B 33 9.818 7.099 -10.343 1.00 0.00 C ATOM 770 C ALA B 33 8.814 6.324 -11.216 1.00 0.00 C ATOM 771 O ALA B 33 9.093 5.998 -12.372 1.00 0.00 O ATOM 772 CB ALA B 33 10.060 8.519 -10.865 1.00 0.00 C ATOM 0 H ALA B 33 11.432 6.098 -11.198 1.00 0.00 H new ATOM 0 HA ALA B 33 9.382 7.172 -9.347 1.00 0.00 H new ATOM 0 HB1 ALA B 33 9.112 9.055 -10.914 1.00 0.00 H new ATOM 0 HB2 ALA B 33 10.739 9.043 -10.192 1.00 0.00 H new ATOM 0 HB3 ALA B 33 10.502 8.470 -11.860 1.00 0.00 H new ATOM 778 N VAL B 34 7.647 6.021 -10.645 1.00 0.00 N ATOM 779 CA VAL B 34 6.579 5.199 -11.238 1.00 0.00 C ATOM 780 C VAL B 34 5.258 5.945 -11.096 1.00 0.00 C ATOM 781 O VAL B 34 4.581 5.842 -10.076 1.00 0.00 O ATOM 782 CB VAL B 34 6.519 3.782 -10.620 1.00 0.00 C ATOM 783 CG1 VAL B 34 5.422 2.920 -11.258 1.00 0.00 C ATOM 784 CG2 VAL B 34 7.844 3.037 -10.834 1.00 0.00 C ATOM 0 H VAL B 34 7.405 6.356 -9.712 1.00 0.00 H new ATOM 0 HA VAL B 34 6.792 5.043 -12.296 1.00 0.00 H new ATOM 0 HB VAL B 34 6.312 3.928 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL B 34 5.417 1.934 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL B 34 4.453 3.396 -11.110 1.00 0.00 H new ATOM 0 HG13 VAL B 34 5.616 2.816 -12.326 1.00 0.00 H new ATOM 0 HG21 VAL B 34 7.778 2.043 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL B 34 8.042 2.946 -11.902 1.00 0.00 H new ATOM 0 HG23 VAL B 34 8.654 3.592 -10.361 1.00 0.00 H new ATOM 794 N SER B 35 4.949 6.763 -12.100 1.00 0.00 N ATOM 795 CA SER B 35 3.813 7.691 -12.102 1.00 0.00 C ATOM 796 C SER B 35 2.733 7.291 -13.119 1.00 0.00 C ATOM 797 O SER B 35 2.981 7.200 -14.326 1.00 0.00 O ATOM 798 CB SER B 35 4.301 9.119 -12.342 1.00 0.00 C ATOM 799 OG SER B 35 3.241 10.044 -12.162 1.00 0.00 O ATOM 0 H SER B 35 5.496 6.802 -12.960 1.00 0.00 H new ATOM 0 HA SER B 35 3.343 7.641 -11.120 1.00 0.00 H new ATOM 0 HB2 SER B 35 5.115 9.352 -11.655 1.00 0.00 H new ATOM 0 HB3 SER B 35 4.701 9.208 -13.352 1.00 0.00 H new ATOM 0 HG SER B 35 3.571 10.954 -12.318 1.00 0.00 H new ATOM 805 N LEU B 36 1.533 7.037 -12.603 1.00 0.00 N ATOM 806 CA LEU B 36 0.335 6.572 -13.303 1.00 0.00 C ATOM 807 C LEU B 36 -0.863 7.502 -13.028 1.00 0.00 C ATOM 808 O LEU B 36 -0.814 8.394 -12.179 1.00 0.00 O ATOM 809 CB LEU B 36 0.009 5.121 -12.865 1.00 0.00 C ATOM 810 CG LEU B 36 0.743 3.961 -13.561 1.00 0.00 C ATOM 811 CD1 LEU B 36 0.565 4.018 -15.079 1.00 0.00 C ATOM 812 CD2 LEU B 36 2.225 3.871 -13.207 1.00 0.00 C ATOM 0 H LEU B 36 1.358 7.160 -11.606 1.00 0.00 H new ATOM 0 HA LEU B 36 0.528 6.589 -14.376 1.00 0.00 H new ATOM 0 HB2 LEU B 36 0.208 5.045 -11.796 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.061 4.966 -13.002 1.00 0.00 H new ATOM 0 HG LEU B 36 0.275 3.054 -13.179 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.096 3.185 -15.539 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -0.495 3.952 -15.324 1.00 0.00 H new ATOM 0 HD13 LEU B 36 0.967 4.958 -15.457 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.675 3.030 -13.735 1.00 0.00 H new ATOM 0 HD22 LEU B 36 2.726 4.794 -13.500 1.00 0.00 H new ATOM 0 HD23 LEU B 36 2.334 3.725 -12.132 1.00 0.00 H new ATOM 824 N TYR B 37 -1.958 7.252 -13.744 1.00 0.00 N ATOM 825 CA TYR B 37 -3.174 8.070 -13.775 1.00 0.00 C ATOM 826 C TYR B 37 -4.424 7.181 -13.709 1.00 0.00 C ATOM 827 O TYR B 37 -4.997 6.797 -14.731 1.00 0.00 O ATOM 828 CB TYR B 37 -3.153 8.951 -15.032 1.00 0.00 C ATOM 829 CG TYR B 37 -2.125 10.064 -14.978 1.00 0.00 C ATOM 830 CD1 TYR B 37 -2.434 11.268 -14.319 1.00 0.00 C ATOM 831 CD2 TYR B 37 -0.858 9.895 -15.569 1.00 0.00 C ATOM 832 CE1 TYR B 37 -1.488 12.306 -14.264 1.00 0.00 C ATOM 833 CE2 TYR B 37 0.092 10.930 -15.501 1.00 0.00 C ATOM 834 CZ TYR B 37 -0.223 12.137 -14.854 1.00 0.00 C ATOM 835 OH TYR B 37 0.701 13.139 -14.805 1.00 0.00 O ATOM 0 H TYR B 37 -2.027 6.434 -14.349 1.00 0.00 H new ATOM 0 HA TYR B 37 -3.208 8.722 -12.902 1.00 0.00 H new ATOM 0 HB2 TYR B 37 -2.952 8.324 -15.901 1.00 0.00 H new ATOM 0 HB3 TYR B 37 -4.141 9.388 -15.176 1.00 0.00 H new ATOM 0 HD1 TYR B 37 -3.401 11.395 -13.854 1.00 0.00 H new ATOM 0 HD2 TYR B 37 -0.616 8.972 -16.074 1.00 0.00 H new ATOM 0 HE1 TYR B 37 -1.733 13.234 -13.768 1.00 0.00 H new ATOM 0 HE2 TYR B 37 1.066 10.797 -15.947 1.00 0.00 H new ATOM 0 HH TYR B 37 1.519 12.852 -15.261 1.00 0.00 H new ATOM 845 N PHE B 38 -4.807 6.783 -12.496 1.00 0.00 N ATOM 846 CA PHE B 38 -6.058 6.098 -12.220 1.00 0.00 C ATOM 847 C PHE B 38 -7.250 7.072 -12.329 1.00 0.00 C ATOM 848 O PHE B 38 -7.087 8.287 -12.501 1.00 0.00 O ATOM 849 CB PHE B 38 -5.931 5.511 -10.806 1.00 0.00 C ATOM 850 CG PHE B 38 -5.172 4.194 -10.675 1.00 0.00 C ATOM 851 CD1 PHE B 38 -4.154 3.817 -11.580 1.00 0.00 C ATOM 852 CD2 PHE B 38 -5.495 3.324 -9.615 1.00 0.00 C ATOM 853 CE1 PHE B 38 -3.483 2.593 -11.426 1.00 0.00 C ATOM 854 CE2 PHE B 38 -4.818 2.099 -9.470 1.00 0.00 C ATOM 855 CZ PHE B 38 -3.810 1.733 -10.371 1.00 0.00 C ATOM 0 H PHE B 38 -4.239 6.934 -11.662 1.00 0.00 H new ATOM 0 HA PHE B 38 -6.246 5.306 -12.945 1.00 0.00 H new ATOM 0 HB2 PHE B 38 -5.440 6.251 -10.174 1.00 0.00 H new ATOM 0 HB3 PHE B 38 -6.935 5.366 -10.407 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -3.890 4.474 -12.395 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -6.266 3.599 -8.910 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -2.710 2.313 -12.126 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -5.078 1.436 -8.658 1.00 0.00 H new ATOM 0 HZ PHE B 38 -3.289 0.794 -10.253 1.00 0.00 H new ATOM 865 N SER B 39 -8.455 6.541 -12.147 1.00 0.00 N ATOM 866 CA SER B 39 -9.667 7.332 -11.952 1.00 0.00 C ATOM 867 C SER B 39 -10.395 6.912 -10.673 1.00 0.00 C ATOM 868 O SER B 39 -9.977 5.981 -9.975 1.00 0.00 O ATOM 869 CB SER B 39 -10.568 7.254 -13.196 1.00 0.00 C ATOM 870 OG SER B 39 -9.921 7.765 -14.354 1.00 0.00 O ATOM 0 H SER B 39 -8.620 5.535 -12.130 1.00 0.00 H new ATOM 0 HA SER B 39 -9.388 8.378 -11.823 1.00 0.00 H new ATOM 0 HB2 SER B 39 -10.857 6.218 -13.370 1.00 0.00 H new ATOM 0 HB3 SER B 39 -11.485 7.815 -13.015 1.00 0.00 H new ATOM 0 HG SER B 39 -10.525 7.697 -15.123 1.00 0.00 H new ATOM 876 N ASP B 40 -11.443 7.660 -10.316 1.00 0.00 N ATOM 877 CA ASP B 40 -12.074 7.607 -8.991 1.00 0.00 C ATOM 878 C ASP B 40 -12.493 6.198 -8.569 1.00 0.00 C ATOM 879 O ASP B 40 -12.310 5.846 -7.410 1.00 0.00 O ATOM 880 CB ASP B 40 -13.262 8.583 -8.943 1.00 0.00 C ATOM 881 CG ASP B 40 -12.847 10.038 -9.242 1.00 0.00 C ATOM 882 OD1 ASP B 40 -12.210 10.668 -8.363 1.00 0.00 O ATOM 883 OD2 ASP B 40 -13.128 10.530 -10.360 1.00 0.00 O ATOM 0 H ASP B 40 -11.884 8.329 -10.947 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.321 7.913 -8.264 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -14.015 8.268 -9.665 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.726 8.537 -7.958 1.00 0.00 H new ATOM 888 N GLU B 41 -12.996 5.365 -9.484 1.00 0.00 N ATOM 889 CA GLU B 41 -13.383 3.963 -9.207 1.00 0.00 C ATOM 890 C GLU B 41 -12.201 3.092 -8.789 1.00 0.00 C ATOM 891 O GLU B 41 -12.222 2.484 -7.720 1.00 0.00 O ATOM 892 CB GLU B 41 -14.035 3.335 -10.443 1.00 0.00 C ATOM 893 CG GLU B 41 -15.315 4.047 -10.877 1.00 0.00 C ATOM 894 CD GLU B 41 -16.548 3.343 -10.324 1.00 0.00 C ATOM 895 OE1 GLU B 41 -16.979 3.689 -9.201 1.00 0.00 O ATOM 896 OE2 GLU B 41 -17.089 2.457 -11.022 1.00 0.00 O ATOM 0 H GLU B 41 -13.151 5.641 -10.454 1.00 0.00 H new ATOM 0 HA GLU B 41 -14.087 4.002 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -13.322 3.348 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -14.262 2.289 -10.234 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -15.296 5.080 -10.530 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -15.367 4.077 -11.965 1.00 0.00 H new ATOM 903 N GLN B 42 -11.142 3.088 -9.602 1.00 0.00 N ATOM 904 CA GLN B 42 -9.873 2.388 -9.336 1.00 0.00 C ATOM 905 C GLN B 42 -9.244 2.859 -8.016 1.00 0.00 C ATOM 906 O GLN B 42 -8.850 2.048 -7.179 1.00 0.00 O ATOM 907 CB GLN B 42 -8.876 2.588 -10.491 1.00 0.00 C ATOM 908 CG GLN B 42 -9.302 1.941 -11.821 1.00 0.00 C ATOM 909 CD GLN B 42 -10.471 2.618 -12.514 1.00 0.00 C ATOM 910 OE1 GLN B 42 -10.698 3.812 -12.378 1.00 0.00 O ATOM 911 NE2 GLN B 42 -11.256 1.877 -13.267 1.00 0.00 N ATOM 0 H GLN B 42 -11.139 3.586 -10.492 1.00 0.00 H new ATOM 0 HA GLN B 42 -10.102 1.326 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN B 42 -8.734 3.657 -10.651 1.00 0.00 H new ATOM 0 HB3 GLN B 42 -7.910 2.179 -10.195 1.00 0.00 H new ATOM 0 HG2 GLN B 42 -8.448 1.940 -12.498 1.00 0.00 H new ATOM 0 HG3 GLN B 42 -9.562 0.899 -11.635 1.00 0.00 H new ATOM 0 HE21 GLN B 42 -11.064 0.881 -13.379 1.00 0.00 H new ATOM 0 HE22 GLN B 42 -12.056 2.298 -13.739 1.00 0.00 H new ATOM 920 N TYR B 43 -9.203 4.173 -7.789 1.00 0.00 N ATOM 921 CA TYR B 43 -8.595 4.752 -6.587 1.00 0.00 C ATOM 922 C TYR B 43 -9.421 4.479 -5.319 1.00 0.00 C ATOM 923 O TYR B 43 -8.864 4.170 -4.268 1.00 0.00 O ATOM 924 CB TYR B 43 -8.408 6.254 -6.802 1.00 0.00 C ATOM 925 CG TYR B 43 -7.377 6.878 -5.882 1.00 0.00 C ATOM 926 CD1 TYR B 43 -7.754 7.394 -4.627 1.00 0.00 C ATOM 927 CD2 TYR B 43 -6.040 6.994 -6.313 1.00 0.00 C ATOM 928 CE1 TYR B 43 -6.798 8.028 -3.812 1.00 0.00 C ATOM 929 CE2 TYR B 43 -5.092 7.641 -5.502 1.00 0.00 C ATOM 930 CZ TYR B 43 -5.469 8.154 -4.249 1.00 0.00 C ATOM 931 OH TYR B 43 -4.552 8.775 -3.456 1.00 0.00 O ATOM 0 H TYR B 43 -9.589 4.865 -8.431 1.00 0.00 H new ATOM 0 HA TYR B 43 -7.628 4.274 -6.429 1.00 0.00 H new ATOM 0 HB2 TYR B 43 -8.113 6.430 -7.836 1.00 0.00 H new ATOM 0 HB3 TYR B 43 -9.365 6.755 -6.654 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -8.776 7.303 -4.290 1.00 0.00 H new ATOM 0 HD2 TYR B 43 -5.744 6.585 -7.268 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -7.087 8.419 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR B 43 -4.072 7.744 -5.842 1.00 0.00 H new ATOM 0 HH TYR B 43 -3.680 8.778 -3.904 1.00 0.00 H new ATOM 941 N GLN B 44 -10.753 4.521 -5.422 1.00 0.00 N ATOM 942 CA GLN B 44 -11.668 4.206 -4.318 1.00 0.00 C ATOM 943 C GLN B 44 -11.613 2.733 -3.924 1.00 0.00 C ATOM 944 O GLN B 44 -11.589 2.426 -2.737 1.00 0.00 O ATOM 945 CB GLN B 44 -13.120 4.558 -4.654 1.00 0.00 C ATOM 946 CG GLN B 44 -13.406 6.053 -4.472 1.00 0.00 C ATOM 947 CD GLN B 44 -14.786 6.405 -4.979 1.00 0.00 C ATOM 948 OE1 GLN B 44 -15.708 6.667 -4.217 1.00 0.00 O ATOM 949 NE2 GLN B 44 -14.963 6.410 -6.281 1.00 0.00 N ATOM 0 H GLN B 44 -11.233 4.778 -6.285 1.00 0.00 H new ATOM 0 HA GLN B 44 -11.329 4.817 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN B 44 -13.334 4.271 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN B 44 -13.790 3.981 -4.017 1.00 0.00 H new ATOM 0 HG2 GLN B 44 -13.323 6.317 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN B 44 -12.658 6.638 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN B 44 -14.185 6.190 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN B 44 -15.879 6.634 -6.670 1.00 0.00 H new ATOM 958 N LYS B 45 -11.541 1.812 -4.888 1.00 0.00 N ATOM 959 CA LYS B 45 -11.325 0.394 -4.585 1.00 0.00 C ATOM 960 C LYS B 45 -10.015 0.175 -3.803 1.00 0.00 C ATOM 961 O LYS B 45 -10.010 -0.517 -2.785 1.00 0.00 O ATOM 962 CB LYS B 45 -11.361 -0.443 -5.878 1.00 0.00 C ATOM 963 CG LYS B 45 -12.299 -1.659 -5.790 1.00 0.00 C ATOM 964 CD LYS B 45 -13.787 -1.255 -5.767 1.00 0.00 C ATOM 965 CE LYS B 45 -14.736 -2.452 -5.942 1.00 0.00 C ATOM 966 NZ LYS B 45 -14.742 -3.365 -4.776 1.00 0.00 N ATOM 0 H LYS B 45 -11.629 2.021 -5.882 1.00 0.00 H new ATOM 0 HA LYS B 45 -12.137 0.057 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.678 0.192 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -10.353 -0.787 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -12.117 -2.317 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.066 -2.229 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.008 -0.758 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.974 -0.531 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -15.748 -2.084 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.446 -3.011 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.400 -4.151 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -13.785 -3.742 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.046 -2.844 -3.929 1.00 0.00 H new ATOM 980 N LEU B 46 -8.922 0.837 -4.204 1.00 0.00 N ATOM 981 CA LEU B 46 -7.652 0.776 -3.481 1.00 0.00 C ATOM 982 C LEU B 46 -7.710 1.435 -2.094 1.00 0.00 C ATOM 983 O LEU B 46 -7.149 0.904 -1.142 1.00 0.00 O ATOM 984 CB LEU B 46 -6.585 1.415 -4.361 1.00 0.00 C ATOM 985 CG LEU B 46 -5.913 0.461 -5.353 1.00 0.00 C ATOM 986 CD1 LEU B 46 -4.816 -0.373 -4.683 1.00 0.00 C ATOM 987 CD2 LEU B 46 -6.809 -0.524 -6.098 1.00 0.00 C ATOM 0 H LEU B 46 -8.896 1.427 -5.036 1.00 0.00 H new ATOM 0 HA LEU B 46 -7.411 -0.268 -3.282 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -7.037 2.236 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -5.818 1.849 -3.720 1.00 0.00 H new ATOM 0 HG LEU B 46 -5.529 1.164 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -4.363 -1.037 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -4.053 0.290 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -5.250 -0.966 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -6.202 -1.136 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -7.319 -1.167 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -7.548 0.026 -6.682 1.00 0.00 H new ATOM 999 N GLU B 47 -8.430 2.548 -1.946 1.00 0.00 N ATOM 1000 CA GLU B 47 -8.726 3.174 -0.637 1.00 0.00 C ATOM 1001 C GLU B 47 -9.560 2.282 0.284 1.00 0.00 C ATOM 1002 O GLU B 47 -9.262 2.173 1.474 1.00 0.00 O ATOM 1003 CB GLU B 47 -9.399 4.539 -0.836 1.00 0.00 C ATOM 1004 CG GLU B 47 -9.505 5.351 0.453 1.00 0.00 C ATOM 1005 CD GLU B 47 -10.164 6.693 0.161 1.00 0.00 C ATOM 1006 OE1 GLU B 47 -11.413 6.760 0.191 1.00 0.00 O ATOM 1007 OE2 GLU B 47 -9.431 7.680 -0.078 1.00 0.00 O ATOM 0 H GLU B 47 -8.833 3.053 -2.735 1.00 0.00 H new ATOM 0 HA GLU B 47 -7.769 3.316 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -8.835 5.111 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -10.398 4.388 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -10.087 4.802 1.193 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -8.514 5.507 0.879 1.00 0.00 H new ATOM 1014 N LYS B 48 -10.545 1.573 -0.266 1.00 0.00 N ATOM 1015 CA LYS B 48 -11.363 0.602 0.465 1.00 0.00 C ATOM 1016 C LYS B 48 -10.531 -0.601 0.955 1.00 0.00 C ATOM 1017 O LYS B 48 -10.741 -1.096 2.063 1.00 0.00 O ATOM 1018 CB LYS B 48 -12.541 0.134 -0.412 1.00 0.00 C ATOM 1019 CG LYS B 48 -13.662 1.183 -0.560 1.00 0.00 C ATOM 1020 CD LYS B 48 -14.596 1.311 0.657 1.00 0.00 C ATOM 1021 CE LYS B 48 -15.456 0.054 0.863 1.00 0.00 C ATOM 1022 NZ LYS B 48 -16.427 0.218 1.967 1.00 0.00 N ATOM 0 H LYS B 48 -10.803 1.658 -1.249 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.757 1.099 1.351 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -12.165 -0.124 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -12.962 -0.776 0.016 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -13.207 2.154 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -14.262 0.931 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -14.001 1.493 1.552 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -15.246 2.176 0.525 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -15.991 -0.173 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -14.808 -0.797 1.074 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -16.985 -0.653 2.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -15.917 0.409 2.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -17.063 1.013 1.755 1.00 0.00 H new ATOM 1036 N MET B 49 -9.546 -1.038 0.167 1.00 0.00 N ATOM 1037 CA MET B 49 -8.574 -2.067 0.514 1.00 0.00 C ATOM 1038 C MET B 49 -7.531 -1.562 1.537 1.00 0.00 C ATOM 1039 O MET B 49 -7.215 -2.244 2.512 1.00 0.00 O ATOM 1040 CB MET B 49 -7.908 -2.460 -0.807 1.00 0.00 C ATOM 1041 CG MET B 49 -8.807 -3.303 -1.726 1.00 0.00 C ATOM 1042 SD MET B 49 -8.321 -3.341 -3.479 1.00 0.00 S ATOM 1043 CE MET B 49 -6.568 -3.761 -3.330 1.00 0.00 C ATOM 0 H MET B 49 -9.401 -0.665 -0.771 1.00 0.00 H new ATOM 0 HA MET B 49 -9.059 -2.917 0.995 1.00 0.00 H new ATOM 0 HB2 MET B 49 -7.609 -1.555 -1.336 1.00 0.00 H new ATOM 0 HB3 MET B 49 -6.997 -3.019 -0.592 1.00 0.00 H new ATOM 0 HG2 MET B 49 -8.824 -4.326 -1.350 1.00 0.00 H new ATOM 0 HG3 MET B 49 -9.826 -2.921 -1.658 1.00 0.00 H new ATOM 0 HE1 MET B 49 -6.170 -4.014 -4.313 1.00 0.00 H new ATOM 0 HE2 MET B 49 -6.023 -2.908 -2.926 1.00 0.00 H new ATOM 0 HE3 MET B 49 -6.454 -4.615 -2.662 1.00 0.00 H new ATOM 1053 N ALA B 50 -7.056 -0.324 1.373 1.00 0.00 N ATOM 1054 CA ALA B 50 -6.065 0.338 2.223 1.00 0.00 C ATOM 1055 C ALA B 50 -6.528 0.624 3.657 1.00 0.00 C ATOM 1056 O ALA B 50 -5.691 0.823 4.530 1.00 0.00 O ATOM 1057 CB ALA B 50 -5.558 1.613 1.542 1.00 0.00 C ATOM 0 H ALA B 50 -7.368 0.272 0.606 1.00 0.00 H new ATOM 0 HA ALA B 50 -5.249 -0.376 2.337 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -4.821 2.099 2.182 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.098 1.357 0.588 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -6.394 2.291 1.371 1.00 0.00 H new ATOM 1063 N ASN B 51 -7.827 0.560 3.950 1.00 0.00 N ATOM 1064 CA ASN B 51 -8.340 0.527 5.322 1.00 0.00 C ATOM 1065 C ASN B 51 -7.743 -0.628 6.177 1.00 0.00 C ATOM 1066 O ASN B 51 -7.686 -0.515 7.402 1.00 0.00 O ATOM 1067 CB ASN B 51 -9.869 0.498 5.236 1.00 0.00 C ATOM 1068 CG ASN B 51 -10.548 0.344 6.591 1.00 0.00 C ATOM 1069 OD1 ASN B 51 -10.682 1.287 7.359 1.00 0.00 O ATOM 1070 ND2 ASN B 51 -11.013 -0.848 6.914 1.00 0.00 N ATOM 0 H ASN B 51 -8.558 0.529 3.239 1.00 0.00 H new ATOM 0 HA ASN B 51 -8.020 1.421 5.858 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -10.217 1.418 4.766 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -10.174 -0.325 4.590 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -11.486 -0.986 7.807 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -10.899 -1.631 6.271 1.00 0.00 H new ATOM 1077 N GLU B 52 -7.223 -1.696 5.549 1.00 0.00 N ATOM 1078 CA GLU B 52 -6.440 -2.753 6.220 1.00 0.00 C ATOM 1079 C GLU B 52 -5.118 -2.241 6.808 1.00 0.00 C ATOM 1080 O GLU B 52 -4.746 -2.591 7.926 1.00 0.00 O ATOM 1081 CB GLU B 52 -6.148 -3.893 5.233 1.00 0.00 C ATOM 1082 CG GLU B 52 -5.571 -5.147 5.881 1.00 0.00 C ATOM 1083 CD GLU B 52 -5.361 -6.193 4.788 1.00 0.00 C ATOM 1084 OE1 GLU B 52 -6.350 -6.857 4.402 1.00 0.00 O ATOM 1085 OE2 GLU B 52 -4.209 -6.343 4.314 1.00 0.00 O ATOM 0 H GLU B 52 -7.335 -1.854 4.547 1.00 0.00 H new ATOM 0 HA GLU B 52 -7.047 -3.111 7.052 1.00 0.00 H new ATOM 0 HB2 GLU B 52 -7.071 -4.156 4.716 1.00 0.00 H new ATOM 0 HB3 GLU B 52 -5.450 -3.534 4.477 1.00 0.00 H new ATOM 0 HG2 GLU B 52 -4.627 -4.919 6.376 1.00 0.00 H new ATOM 0 HG3 GLU B 52 -6.249 -5.526 6.646 1.00 0.00 H new ATOM 1092 N GLU B 53 -4.450 -1.351 6.063 1.00 0.00 N ATOM 1093 CA GLU B 53 -3.222 -0.615 6.408 1.00 0.00 C ATOM 1094 C GLU B 53 -3.497 0.742 7.081 1.00 0.00 C ATOM 1095 O GLU B 53 -2.564 1.482 7.397 1.00 0.00 O ATOM 1096 CB GLU B 53 -2.418 -0.414 5.116 1.00 0.00 C ATOM 1097 CG GLU B 53 -1.766 -1.697 4.589 1.00 0.00 C ATOM 1098 CD GLU B 53 -0.428 -1.978 5.262 1.00 0.00 C ATOM 1099 OE1 GLU B 53 -0.407 -2.335 6.461 1.00 0.00 O ATOM 1100 OE2 GLU B 53 0.607 -1.890 4.565 1.00 0.00 O ATOM 0 H GLU B 53 -4.778 -1.106 5.129 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.664 -1.201 7.138 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -3.077 -0.010 4.348 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -1.642 0.331 5.294 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -2.438 -2.539 4.754 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -1.619 -1.613 3.512 1.00 0.00 H new ATOM 1107 N GLU B 54 -4.776 1.049 7.332 1.00 0.00 N ATOM 1108 CA GLU B 54 -5.303 2.259 8.012 1.00 0.00 C ATOM 1109 C GLU B 54 -5.225 3.528 7.141 1.00 0.00 C ATOM 1110 O GLU B 54 -4.912 4.625 7.608 1.00 0.00 O ATOM 1111 CB GLU B 54 -4.697 2.423 9.419 1.00 0.00 C ATOM 1112 CG GLU B 54 -5.652 3.130 10.376 1.00 0.00 C ATOM 1113 CD GLU B 54 -4.977 3.337 11.726 1.00 0.00 C ATOM 1114 OE1 GLU B 54 -5.061 2.427 12.581 1.00 0.00 O ATOM 1115 OE2 GLU B 54 -4.377 4.415 11.939 1.00 0.00 O ATOM 0 H GLU B 54 -5.529 0.421 7.050 1.00 0.00 H new ATOM 0 HA GLU B 54 -6.372 2.105 8.159 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -4.443 1.442 9.820 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -3.768 2.990 9.350 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -5.953 4.091 9.959 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -6.559 2.539 10.500 1.00 0.00 H new ATOM 1122 N GLU B 55 -5.512 3.331 5.849 1.00 0.00 N ATOM 1123 CA GLU B 55 -5.425 4.258 4.701 1.00 0.00 C ATOM 1124 C GLU B 55 -4.021 4.785 4.376 1.00 0.00 C ATOM 1125 O GLU B 55 -3.273 5.272 5.223 1.00 0.00 O ATOM 1126 CB GLU B 55 -6.423 5.422 4.766 1.00 0.00 C ATOM 1127 CG GLU B 55 -7.881 5.017 5.004 1.00 0.00 C ATOM 1128 CD GLU B 55 -8.253 5.090 6.483 1.00 0.00 C ATOM 1129 OE1 GLU B 55 -8.470 6.218 6.982 1.00 0.00 O ATOM 1130 OE2 GLU B 55 -8.382 4.026 7.126 1.00 0.00 O ATOM 0 H GLU B 55 -5.849 2.418 5.543 1.00 0.00 H new ATOM 0 HA GLU B 55 -5.706 3.609 3.871 1.00 0.00 H new ATOM 0 HB2 GLU B 55 -6.116 6.099 5.563 1.00 0.00 H new ATOM 0 HB3 GLU B 55 -6.366 5.982 3.832 1.00 0.00 H new ATOM 0 HG2 GLU B 55 -8.538 5.671 4.431 1.00 0.00 H new ATOM 0 HG3 GLU B 55 -8.041 4.003 4.638 1.00 0.00 H new ATOM 1137 N SER B 56 -3.687 4.686 3.092 1.00 0.00 N ATOM 1138 CA SER B 56 -2.392 5.066 2.492 1.00 0.00 C ATOM 1139 C SER B 56 -2.445 5.117 0.949 1.00 0.00 C ATOM 1140 O SER B 56 -1.793 5.943 0.309 1.00 0.00 O ATOM 1141 CB SER B 56 -1.320 4.046 2.909 1.00 0.00 C ATOM 1142 OG SER B 56 -1.644 2.742 2.441 1.00 0.00 O ATOM 0 H SER B 56 -4.340 4.321 2.398 1.00 0.00 H new ATOM 0 HA SER B 56 -2.151 6.066 2.854 1.00 0.00 H new ATOM 0 HB2 SER B 56 -0.351 4.348 2.511 1.00 0.00 H new ATOM 0 HB3 SER B 56 -1.228 4.034 3.995 1.00 0.00 H new ATOM 0 HG SER B 56 -0.946 2.112 2.718 1.00 0.00 H new ATOM 1148 N VAL B 57 -3.274 4.249 0.360 1.00 0.00 N ATOM 1149 CA VAL B 57 -3.619 4.059 -1.063 1.00 0.00 C ATOM 1150 C VAL B 57 -2.439 3.805 -2.003 1.00 0.00 C ATOM 1151 O VAL B 57 -2.281 2.680 -2.472 1.00 0.00 O ATOM 1152 CB VAL B 57 -4.557 5.165 -1.602 1.00 0.00 C ATOM 1153 CG1 VAL B 57 -5.274 4.678 -2.868 1.00 0.00 C ATOM 1154 CG2 VAL B 57 -5.639 5.575 -0.592 1.00 0.00 C ATOM 0 H VAL B 57 -3.784 3.579 0.936 1.00 0.00 H new ATOM 0 HA VAL B 57 -4.172 3.120 -1.064 1.00 0.00 H new ATOM 0 HB VAL B 57 -3.921 6.026 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -5.932 5.464 -3.239 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -4.536 4.431 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -5.864 3.792 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -6.266 6.354 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -6.254 4.709 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -5.166 5.954 0.314 1.00 0.00 H new ATOM 1164 N GLY B 58 -1.551 4.771 -2.233 1.00 0.00 N ATOM 1165 CA GLY B 58 -0.367 4.593 -3.088 1.00 0.00 C ATOM 1166 C GLY B 58 0.583 3.523 -2.543 1.00 0.00 C ATOM 1167 O GLY B 58 1.080 2.672 -3.279 1.00 0.00 O ATOM 0 H GLY B 58 -1.628 5.706 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -0.685 4.316 -4.093 1.00 0.00 H new ATOM 0 HA3 GLY B 58 0.165 5.541 -3.171 1.00 0.00 H new ATOM 1171 N SER B 59 0.748 3.488 -1.222 1.00 0.00 N ATOM 1172 CA SER B 59 1.545 2.449 -0.559 1.00 0.00 C ATOM 1173 C SER B 59 0.897 1.062 -0.695 1.00 0.00 C ATOM 1174 O SER B 59 1.585 0.070 -0.933 1.00 0.00 O ATOM 1175 CB SER B 59 1.707 2.799 0.918 1.00 0.00 C ATOM 1176 OG SER B 59 2.649 1.950 1.551 1.00 0.00 O ATOM 0 H SER B 59 0.339 4.170 -0.583 1.00 0.00 H new ATOM 0 HA SER B 59 2.520 2.410 -1.044 1.00 0.00 H new ATOM 0 HB2 SER B 59 2.028 3.836 1.014 1.00 0.00 H new ATOM 0 HB3 SER B 59 0.744 2.715 1.421 1.00 0.00 H new ATOM 0 HG SER B 59 2.732 2.200 2.495 1.00 0.00 H new ATOM 1182 N TYR B 60 -0.440 0.989 -0.643 1.00 0.00 N ATOM 1183 CA TYR B 60 -1.181 -0.254 -0.888 1.00 0.00 C ATOM 1184 C TYR B 60 -1.036 -0.742 -2.332 1.00 0.00 C ATOM 1185 O TYR B 60 -0.818 -1.927 -2.566 1.00 0.00 O ATOM 1186 CB TYR B 60 -2.667 -0.079 -0.563 1.00 0.00 C ATOM 1187 CG TYR B 60 -3.323 -1.383 -0.147 1.00 0.00 C ATOM 1188 CD1 TYR B 60 -3.764 -2.320 -1.105 1.00 0.00 C ATOM 1189 CD2 TYR B 60 -3.429 -1.689 1.219 1.00 0.00 C ATOM 1190 CE1 TYR B 60 -4.308 -3.549 -0.682 1.00 0.00 C ATOM 1191 CE2 TYR B 60 -3.987 -2.908 1.637 1.00 0.00 C ATOM 1192 CZ TYR B 60 -4.423 -3.840 0.686 1.00 0.00 C ATOM 1193 OH TYR B 60 -4.925 -5.037 1.091 1.00 0.00 O ATOM 0 H TYR B 60 -1.036 1.789 -0.430 1.00 0.00 H new ATOM 0 HA TYR B 60 -0.747 -1.005 -0.228 1.00 0.00 H new ATOM 0 HB2 TYR B 60 -2.778 0.652 0.237 1.00 0.00 H new ATOM 0 HB3 TYR B 60 -3.183 0.322 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR B 60 -3.685 -2.096 -2.159 1.00 0.00 H new ATOM 0 HD2 TYR B 60 -3.078 -0.981 1.955 1.00 0.00 H new ATOM 0 HE1 TYR B 60 -4.638 -4.271 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR B 60 -4.080 -3.127 2.690 1.00 0.00 H new ATOM 0 HH TYR B 60 -4.934 -5.074 2.070 1.00 0.00 H new ATOM 1203 N ILE B 61 -1.085 0.186 -3.293 1.00 0.00 N ATOM 1204 CA ILE B 61 -0.846 -0.097 -4.725 1.00 0.00 C ATOM 1205 C ILE B 61 0.519 -0.770 -4.879 1.00 0.00 C ATOM 1206 O ILE B 61 0.636 -1.844 -5.474 1.00 0.00 O ATOM 1207 CB ILE B 61 -0.955 1.189 -5.600 1.00 0.00 C ATOM 1208 CG1 ILE B 61 -2.418 1.659 -5.704 1.00 0.00 C ATOM 1209 CG2 ILE B 61 -0.372 0.988 -7.014 1.00 0.00 C ATOM 1210 CD1 ILE B 61 -2.643 3.015 -6.375 1.00 0.00 C ATOM 0 H ILE B 61 -1.293 1.166 -3.104 1.00 0.00 H new ATOM 0 HA ILE B 61 -1.622 -0.773 -5.084 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.363 1.956 -5.101 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.982 0.906 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -2.838 1.700 -4.699 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -0.472 1.912 -7.583 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.682 0.721 -6.938 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.914 0.189 -7.521 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.709 3.241 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.117 3.789 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.263 2.983 -7.396 1.00 0.00 H new ATOM 1222 N LYS B 62 1.542 -0.173 -4.264 1.00 0.00 N ATOM 1223 CA LYS B 62 2.890 -0.718 -4.283 1.00 0.00 C ATOM 1224 C LYS B 62 2.969 -2.092 -3.590 1.00 0.00 C ATOM 1225 O LYS B 62 3.454 -3.058 -4.175 1.00 0.00 O ATOM 1226 CB LYS B 62 3.843 0.304 -3.640 1.00 0.00 C ATOM 1227 CG LYS B 62 5.268 0.134 -4.187 1.00 0.00 C ATOM 1228 CD LYS B 62 6.317 1.039 -3.523 1.00 0.00 C ATOM 1229 CE LYS B 62 6.594 0.636 -2.067 1.00 0.00 C ATOM 1230 NZ LYS B 62 7.668 1.453 -1.458 1.00 0.00 N ATOM 0 H LYS B 62 1.454 0.699 -3.742 1.00 0.00 H new ATOM 0 HA LYS B 62 3.191 -0.891 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS B 62 3.489 1.315 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS B 62 3.846 0.176 -2.558 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.571 -0.905 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.259 0.335 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.245 0.995 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS B 62 5.973 2.073 -3.553 1.00 0.00 H new ATOM 0 HE2 LYS B 62 5.681 0.744 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS B 62 6.874 -0.417 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 7.822 1.147 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.547 1.331 -2.000 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.391 2.455 -1.469 1.00 0.00 H new ATOM 1244 N ARG B 63 2.433 -2.216 -2.374 1.00 0.00 N ATOM 1245 CA ARG B 63 2.441 -3.466 -1.608 1.00 0.00 C ATOM 1246 C ARG B 63 1.711 -4.611 -2.335 1.00 0.00 C ATOM 1247 O ARG B 63 2.176 -5.747 -2.300 1.00 0.00 O ATOM 1248 CB ARG B 63 1.873 -3.215 -0.196 1.00 0.00 C ATOM 1249 CG ARG B 63 2.122 -4.414 0.734 1.00 0.00 C ATOM 1250 CD ARG B 63 1.758 -4.122 2.197 1.00 0.00 C ATOM 1251 NE ARG B 63 2.099 -5.278 3.046 1.00 0.00 N ATOM 1252 CZ ARG B 63 2.226 -5.300 4.363 1.00 0.00 C ATOM 1253 NH1 ARG B 63 1.986 -4.266 5.118 1.00 0.00 N ATOM 1254 NH2 ARG B 63 2.607 -6.395 4.962 1.00 0.00 N ATOM 0 H ARG B 63 1.976 -1.444 -1.888 1.00 0.00 H new ATOM 0 HA ARG B 63 3.475 -3.798 -1.512 1.00 0.00 H new ATOM 0 HB2 ARG B 63 2.333 -2.322 0.229 1.00 0.00 H new ATOM 0 HB3 ARG B 63 0.802 -3.021 -0.263 1.00 0.00 H new ATOM 0 HG2 ARG B 63 1.540 -5.266 0.383 1.00 0.00 H new ATOM 0 HG3 ARG B 63 3.172 -4.700 0.676 1.00 0.00 H new ATOM 0 HD2 ARG B 63 2.292 -3.237 2.543 1.00 0.00 H new ATOM 0 HD3 ARG B 63 0.693 -3.903 2.278 1.00 0.00 H new ATOM 0 HE ARG B 63 2.255 -6.163 2.563 1.00 0.00 H new ATOM 0 HH11 ARG B 63 1.685 -3.387 4.698 1.00 0.00 H new ATOM 0 HH12 ARG B 63 2.099 -4.336 6.129 1.00 0.00 H new ATOM 0 HH21 ARG B 63 2.807 -7.233 4.415 1.00 0.00 H new ATOM 0 HH22 ARG B 63 2.705 -6.413 5.977 1.00 0.00 H new ATOM 1268 N TYR B 64 0.623 -4.333 -3.061 1.00 0.00 N ATOM 1269 CA TYR B 64 -0.137 -5.347 -3.804 1.00 0.00 C ATOM 1270 C TYR B 64 0.646 -5.916 -4.992 1.00 0.00 C ATOM 1271 O TYR B 64 0.707 -7.122 -5.230 1.00 0.00 O ATOM 1272 CB TYR B 64 -1.433 -4.728 -4.330 1.00 0.00 C ATOM 1273 CG TYR B 64 -2.486 -5.785 -4.605 1.00 0.00 C ATOM 1274 CD1 TYR B 64 -2.519 -6.457 -5.841 1.00 0.00 C ATOM 1275 CD2 TYR B 64 -3.361 -6.179 -3.573 1.00 0.00 C ATOM 1276 CE1 TYR B 64 -3.413 -7.527 -6.034 1.00 0.00 C ATOM 1277 CE2 TYR B 64 -4.269 -7.234 -3.777 1.00 0.00 C ATOM 1278 CZ TYR B 64 -4.289 -7.914 -5.006 1.00 0.00 C ATOM 1279 OH TYR B 64 -5.134 -8.967 -5.195 1.00 0.00 O ATOM 0 H TYR B 64 0.241 -3.391 -3.151 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.341 -6.164 -3.112 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -1.816 -4.012 -3.603 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.226 -4.173 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -1.860 -6.152 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -3.334 -5.669 -2.621 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -3.426 -8.053 -6.977 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -4.950 -7.521 -2.989 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.671 -9.104 -4.387 1.00 0.00 H new ATOM 1289 N ILE B 65 1.296 -5.014 -5.715 1.00 0.00 N ATOM 1290 CA ILE B 65 2.191 -5.316 -6.837 1.00 0.00 C ATOM 1291 C ILE B 65 3.406 -6.110 -6.355 1.00 0.00 C ATOM 1292 O ILE B 65 3.770 -7.112 -6.967 1.00 0.00 O ATOM 1293 CB ILE B 65 2.578 -3.998 -7.541 1.00 0.00 C ATOM 1294 CG1 ILE B 65 1.393 -3.477 -8.381 1.00 0.00 C ATOM 1295 CG2 ILE B 65 3.861 -4.092 -8.386 1.00 0.00 C ATOM 1296 CD1 ILE B 65 1.116 -4.258 -9.677 1.00 0.00 C ATOM 0 H ILE B 65 1.215 -4.013 -5.534 1.00 0.00 H new ATOM 0 HA ILE B 65 1.683 -5.947 -7.566 1.00 0.00 H new ATOM 0 HB ILE B 65 2.807 -3.283 -6.751 1.00 0.00 H new ATOM 0 HG12 ILE B 65 0.494 -3.497 -7.764 1.00 0.00 H new ATOM 0 HG13 ILE B 65 1.580 -2.434 -8.637 1.00 0.00 H new ATOM 0 HG21 ILE B 65 4.064 -3.126 -8.847 1.00 0.00 H new ATOM 0 HG22 ILE B 65 4.698 -4.372 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE B 65 3.730 -4.845 -9.163 1.00 0.00 H new ATOM 0 HD11 ILE B 65 0.266 -3.814 -10.195 1.00 0.00 H new ATOM 0 HD12 ILE B 65 1.994 -4.217 -10.321 1.00 0.00 H new ATOM 0 HD13 ILE B 65 0.891 -5.297 -9.435 1.00 0.00 H new ATOM 1308 N LEU B 66 3.978 -5.728 -5.214 1.00 0.00 N ATOM 1309 CA LEU B 66 5.133 -6.410 -4.624 1.00 0.00 C ATOM 1310 C LEU B 66 4.732 -7.789 -4.070 1.00 0.00 C ATOM 1311 O LEU B 66 5.501 -8.744 -4.165 1.00 0.00 O ATOM 1312 CB LEU B 66 5.750 -5.496 -3.551 1.00 0.00 C ATOM 1313 CG LEU B 66 6.792 -4.480 -4.076 1.00 0.00 C ATOM 1314 CD1 LEU B 66 6.544 -3.867 -5.458 1.00 0.00 C ATOM 1315 CD2 LEU B 66 6.885 -3.320 -3.090 1.00 0.00 C ATOM 0 H LEU B 66 3.652 -4.931 -4.668 1.00 0.00 H new ATOM 0 HA LEU B 66 5.888 -6.601 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU B 66 4.948 -4.948 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU B 66 6.223 -6.120 -2.793 1.00 0.00 H new ATOM 0 HG LEU B 66 7.702 -5.072 -4.174 1.00 0.00 H new ATOM 0 HD11 LEU B 66 7.350 -3.174 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU B 66 6.510 -4.659 -6.206 1.00 0.00 H new ATOM 0 HD13 LEU B 66 5.595 -3.331 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.617 -2.596 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.911 -2.839 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.194 -3.696 -2.114 1.00 0.00 H new ATOM 1327 N LYS B 67 3.497 -7.921 -3.583 1.00 0.00 N ATOM 1328 CA LYS B 67 2.901 -9.198 -3.200 1.00 0.00 C ATOM 1329 C LYS B 67 2.694 -10.127 -4.413 1.00 0.00 C ATOM 1330 O LYS B 67 3.075 -11.297 -4.370 1.00 0.00 O ATOM 1331 CB LYS B 67 1.588 -8.923 -2.450 1.00 0.00 C ATOM 1332 CG LYS B 67 0.980 -10.210 -1.867 1.00 0.00 C ATOM 1333 CD LYS B 67 -0.292 -9.967 -1.038 1.00 0.00 C ATOM 1334 CE LYS B 67 -0.007 -9.224 0.276 1.00 0.00 C ATOM 1335 NZ LYS B 67 -1.217 -9.108 1.120 1.00 0.00 N ATOM 0 H LYS B 67 2.873 -7.127 -3.442 1.00 0.00 H new ATOM 0 HA LYS B 67 3.585 -9.729 -2.539 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.772 -8.211 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS B 67 0.873 -8.459 -3.129 1.00 0.00 H new ATOM 0 HG2 LYS B 67 0.747 -10.894 -2.683 1.00 0.00 H new ATOM 0 HG3 LYS B 67 1.724 -10.702 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS B 67 -1.003 -9.391 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS B 67 -0.764 -10.924 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS B 67 0.772 -9.750 0.829 1.00 0.00 H new ATOM 0 HE3 LYS B 67 0.377 -8.228 0.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 -0.981 -8.601 1.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 -1.952 -8.584 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 -1.569 -10.058 1.354 1.00 0.00 H new ATOM 1349 N ALA B 68 2.163 -9.602 -5.521 1.00 0.00 N ATOM 1350 CA ALA B 68 1.993 -10.352 -6.774 1.00 0.00 C ATOM 1351 C ALA B 68 3.340 -10.797 -7.390 1.00 0.00 C ATOM 1352 O ALA B 68 3.462 -11.895 -7.936 1.00 0.00 O ATOM 1353 CB ALA B 68 1.196 -9.491 -7.760 1.00 0.00 C ATOM 0 H ALA B 68 1.836 -8.638 -5.577 1.00 0.00 H new ATOM 0 HA ALA B 68 1.447 -11.269 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA B 68 1.063 -10.036 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA B 68 0.220 -9.258 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA B 68 1.737 -8.565 -7.954 1.00 0.00 H new ATOM 1359 N LEU B 69 4.380 -9.972 -7.237 1.00 0.00 N ATOM 1360 CA LEU B 69 5.736 -10.186 -7.742 1.00 0.00 C ATOM 1361 C LEU B 69 6.462 -11.376 -7.098 1.00 0.00 C ATOM 1362 O LEU B 69 7.386 -11.935 -7.690 1.00 0.00 O ATOM 1363 CB LEU B 69 6.506 -8.864 -7.561 1.00 0.00 C ATOM 1364 CG LEU B 69 6.669 -8.109 -8.889 1.00 0.00 C ATOM 1365 CD1 LEU B 69 6.813 -6.602 -8.712 1.00 0.00 C ATOM 1366 CD2 LEU B 69 7.923 -8.607 -9.593 1.00 0.00 C ATOM 0 H LEU B 69 4.292 -9.091 -6.731 1.00 0.00 H new ATOM 0 HA LEU B 69 5.682 -10.460 -8.796 1.00 0.00 H new ATOM 0 HB2 LEU B 69 5.979 -8.232 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU B 69 7.489 -9.071 -7.138 1.00 0.00 H new ATOM 0 HG LEU B 69 5.764 -8.298 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.924 -6.130 -9.688 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.926 -6.207 -8.217 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.692 -6.389 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU B 69 8.046 -8.076 -10.537 1.00 0.00 H new ATOM 0 HD22 LEU B 69 8.792 -8.427 -8.960 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.831 -9.676 -9.787 1.00 0.00 H new ATOM 1378 N ARG B 70 6.001 -11.814 -5.926 1.00 0.00 N ATOM 1379 CA ARG B 70 6.444 -13.055 -5.292 1.00 0.00 C ATOM 1380 C ARG B 70 6.137 -14.320 -6.127 1.00 0.00 C ATOM 1381 O ARG B 70 6.825 -15.333 -5.980 1.00 0.00 O ATOM 1382 CB ARG B 70 5.831 -13.204 -3.887 1.00 0.00 C ATOM 1383 CG ARG B 70 6.234 -12.067 -2.935 1.00 0.00 C ATOM 1384 CD ARG B 70 5.628 -12.269 -1.541 1.00 0.00 C ATOM 1385 NE ARG B 70 5.990 -11.162 -0.634 1.00 0.00 N ATOM 1386 CZ ARG B 70 7.095 -11.043 0.086 1.00 0.00 C ATOM 1387 NH1 ARG B 70 8.043 -11.940 0.074 1.00 0.00 N ATOM 1388 NH2 ARG B 70 7.271 -9.995 0.843 1.00 0.00 N ATOM 0 H ARG B 70 5.300 -11.310 -5.383 1.00 0.00 H new ATOM 0 HA ARG B 70 7.529 -12.975 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG B 70 4.745 -13.233 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG B 70 6.143 -14.157 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG B 70 7.320 -12.021 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG B 70 5.902 -11.112 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG B 70 4.543 -12.337 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG B 70 5.977 -13.213 -1.123 1.00 0.00 H new ATOM 0 HE ARG B 70 5.313 -10.404 -0.553 1.00 0.00 H new ATOM 0 HH11 ARG B 70 7.949 -12.774 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG B 70 8.878 -11.807 0.645 1.00 0.00 H new ATOM 0 HH21 ARG B 70 6.557 -9.267 0.880 1.00 0.00 H new ATOM 0 HH22 ARG B 70 8.122 -9.904 1.398 1.00 0.00 H new ATOM 1402 N LYS B 71 5.102 -14.285 -6.982 1.00 0.00 N ATOM 1403 CA LYS B 71 4.579 -15.463 -7.694 1.00 0.00 C ATOM 1404 C LYS B 71 3.797 -15.115 -8.992 1.00 0.00 C ATOM 1405 O LYS B 71 2.677 -15.580 -9.213 1.00 0.00 O ATOM 1406 CB LYS B 71 3.801 -16.357 -6.700 1.00 0.00 C ATOM 1407 CG LYS B 71 4.172 -17.850 -6.786 1.00 0.00 C ATOM 1408 CD LYS B 71 3.809 -18.508 -8.129 1.00 0.00 C ATOM 1409 CE LYS B 71 4.259 -19.976 -8.220 1.00 0.00 C ATOM 1410 NZ LYS B 71 3.508 -20.870 -7.312 1.00 0.00 N ATOM 0 H LYS B 71 4.598 -13.426 -7.201 1.00 0.00 H new ATOM 0 HA LYS B 71 5.422 -16.041 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS B 71 3.987 -16.004 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS B 71 2.733 -16.246 -6.885 1.00 0.00 H new ATOM 0 HG2 LYS B 71 5.244 -17.958 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS B 71 3.668 -18.386 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.730 -18.455 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS B 71 4.267 -17.942 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS B 71 4.137 -20.324 -9.246 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.322 -20.039 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 3.856 -21.844 -7.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 3.643 -20.559 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 2.496 -20.836 -7.550 1.00 0.00 H new ATOM 1424 N ILE B 72 4.376 -14.273 -9.862 1.00 0.00 N ATOM 1425 CA ILE B 72 3.786 -13.887 -11.167 1.00 0.00 C ATOM 1426 C ILE B 72 3.348 -15.095 -12.038 1.00 0.00 C ATOM 1427 O ILE B 72 2.267 -15.067 -12.638 1.00 0.00 O ATOM 1428 CB ILE B 72 4.771 -12.977 -11.951 1.00 0.00 C ATOM 1429 CG1 ILE B 72 5.147 -11.741 -11.104 1.00 0.00 C ATOM 1430 CG2 ILE B 72 4.216 -12.533 -13.321 1.00 0.00 C ATOM 1431 CD1 ILE B 72 5.953 -10.668 -11.844 1.00 0.00 C ATOM 0 H ILE B 72 5.278 -13.832 -9.683 1.00 0.00 H new ATOM 0 HA ILE B 72 2.873 -13.336 -10.941 1.00 0.00 H new ATOM 0 HB ILE B 72 5.662 -13.573 -12.147 1.00 0.00 H new ATOM 0 HG12 ILE B 72 4.231 -11.288 -10.724 1.00 0.00 H new ATOM 0 HG13 ILE B 72 5.721 -12.073 -10.239 1.00 0.00 H new ATOM 0 HG21 ILE B 72 4.948 -11.900 -13.822 1.00 0.00 H new ATOM 0 HG22 ILE B 72 4.016 -13.411 -13.934 1.00 0.00 H new ATOM 0 HG23 ILE B 72 3.292 -11.974 -13.175 1.00 0.00 H new ATOM 0 HD11 ILE B 72 6.168 -9.842 -11.166 1.00 0.00 H new ATOM 0 HD12 ILE B 72 6.889 -11.098 -12.201 1.00 0.00 H new ATOM 0 HD13 ILE B 72 5.376 -10.300 -12.693 1.00 0.00 H new ATOM 1443 N GLU B 73 4.191 -16.137 -12.120 1.00 0.00 N ATOM 1444 CA GLU B 73 4.007 -17.346 -12.952 1.00 0.00 C ATOM 1445 C GLU B 73 2.785 -18.203 -12.589 1.00 0.00 C ATOM 1446 O GLU B 73 2.126 -18.692 -13.532 1.00 0.00 O ATOM 1447 CB GLU B 73 5.295 -18.185 -12.981 1.00 0.00 C ATOM 1448 CG GLU B 73 5.776 -18.704 -11.623 1.00 0.00 C ATOM 1449 CD GLU B 73 7.046 -19.525 -11.797 1.00 0.00 C ATOM 1450 OE1 GLU B 73 8.148 -18.931 -11.761 1.00 0.00 O ATOM 1451 OE2 GLU B 73 6.940 -20.761 -11.955 1.00 0.00 O ATOM 0 H GLU B 73 5.059 -16.165 -11.586 1.00 0.00 H new ATOM 0 HA GLU B 73 3.793 -16.978 -13.955 1.00 0.00 H new ATOM 0 HB2 GLU B 73 5.137 -19.038 -13.641 1.00 0.00 H new ATOM 0 HB3 GLU B 73 6.090 -17.583 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU B 73 5.964 -17.867 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU B 73 4.999 -19.314 -11.162 1.00 0.00 H new TER 1458 GLU B 73