USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 726 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 60 SER OG : rot -102:sc= 0.823 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.612 K(o=1.4,f=-10!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 163:sc= -1.18 (180deg=-1.56) USER MOD Set 2.2: A 82 ASN :FLIP amide:sc= -2.97! C(o=-8.4!,f=-4.2!) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 1.06 USER MOD Set 3.2: A 40 SER OG : rot 62:sc= 1.2 USER MOD Set 4.1: A 4 THR OG1 : rot -170:sc= 0.0866 USER MOD Set 4.2: A 7 GLN : amide:sc= -0.339 K(o=-0.25,f=-2) USER MOD Single : A 1 MET CE :methyl -117:sc= -0.415 (180deg=-1.24) USER MOD Single : A 9 SER OG : rot -11:sc= 0.5 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.344! F(o=-1.7,f=-0.34!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.59 F(o=-2.1,f=-0.59) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 1:sc= 0.525! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 175:sc= -1.7! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -144:sc= -2.29! (180deg=-6.87!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.26 USER MOD Single : A 58 LYS NZ :NH3+ 146:sc= -0.692 (180deg=-1.99!) USER MOD Single : A 59 MET CE :methyl -136:sc= 0 (180deg=-0.0553) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 97:sc= 0.816 USER MOD Single : A 69 SER OG : rot -150:sc= 0.767 USER MOD Single : A 74 THR OG1 : rot -157:sc= -5.49! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.704 K(o=0.7,f=-0.085) USER MOD Single : A 80 THR OG1 : rot 91:sc= 0.0417 USER MOD Single : A 86 THR OG1 : rot 69:sc= 1.29 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.064 -11.986 -7.716 1.00 0.00 N ATOM 9 CA PRO A 0 -9.446 -11.269 -6.511 1.00 0.00 C ATOM 10 C PRO A 0 -10.483 -10.188 -6.822 1.00 0.00 C ATOM 11 O PRO A 0 -11.138 -10.233 -7.862 1.00 0.00 O ATOM 12 CB PRO A 0 -8.146 -10.705 -5.961 1.00 0.00 C ATOM 13 CG PRO A 0 -7.158 -10.730 -7.115 1.00 0.00 C ATOM 14 CD PRO A 0 -7.742 -11.610 -8.209 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.756 -11.809 -8.444 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.079 -12.988 -7.528 1.00 0.00 H new ATOM 0 HA PRO A 0 -9.930 -11.911 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.287 -9.690 -5.590 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -7.784 -11.303 -5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.982 -9.721 -7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.195 -11.120 -6.785 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.810 -11.073 -9.155 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.120 -12.488 -8.385 1.00 0.00 H new ATOM 22 N MET A 1 -10.599 -9.242 -5.902 1.00 0.00 N ATOM 23 CA MET A 1 -11.545 -8.152 -6.065 1.00 0.00 C ATOM 24 C MET A 1 -11.004 -7.096 -7.031 1.00 0.00 C ATOM 25 O MET A 1 -11.774 -6.404 -7.695 1.00 0.00 O ATOM 26 CB MET A 1 -11.820 -7.506 -4.705 1.00 0.00 C ATOM 27 CG MET A 1 -12.567 -8.471 -3.781 1.00 0.00 C ATOM 28 SD MET A 1 -13.473 -7.554 -2.546 1.00 0.00 S ATOM 29 CE MET A 1 -14.712 -6.787 -3.576 1.00 0.00 C ATOM 0 H MET A 1 -10.053 -9.208 -5.041 1.00 0.00 H new ATOM 0 HA MET A 1 -12.469 -8.557 -6.479 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.879 -7.209 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.408 -6.599 -4.842 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.252 -9.088 -4.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.860 -9.146 -3.299 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.596 -5.704 -3.540 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.594 -7.130 -4.604 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.704 -7.058 -3.215 1.00 0.00 H new ATOM 39 N GLU A 2 -9.683 -7.006 -7.079 1.00 0.00 N ATOM 40 CA GLU A 2 -9.029 -6.046 -7.953 1.00 0.00 C ATOM 41 C GLU A 2 -9.647 -4.658 -7.773 1.00 0.00 C ATOM 42 O GLU A 2 -10.701 -4.366 -8.335 1.00 0.00 O ATOM 43 CB GLU A 2 -9.105 -6.495 -9.413 1.00 0.00 C ATOM 44 CG GLU A 2 -8.291 -7.770 -9.638 1.00 0.00 C ATOM 45 CD GLU A 2 -9.032 -8.737 -10.564 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.281 -8.704 -10.538 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.332 -9.488 -11.278 1.00 0.00 O ATOM 0 H GLU A 2 -9.048 -7.582 -6.527 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.976 -5.991 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.145 -6.670 -9.690 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.732 -5.702 -10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.323 -7.516 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.096 -8.255 -8.681 1.00 0.00 H new ATOM 54 N PHE A 3 -8.964 -3.839 -6.987 1.00 0.00 N ATOM 55 CA PHE A 3 -9.432 -2.488 -6.725 1.00 0.00 C ATOM 56 C PHE A 3 -8.572 -1.458 -7.460 1.00 0.00 C ATOM 57 O PHE A 3 -7.344 -1.539 -7.436 1.00 0.00 O ATOM 58 CB PHE A 3 -9.310 -2.256 -5.218 1.00 0.00 C ATOM 59 CG PHE A 3 -10.317 -3.049 -4.382 1.00 0.00 C ATOM 60 CD1 PHE A 3 -11.593 -2.598 -4.248 1.00 0.00 C ATOM 61 CD2 PHE A 3 -9.936 -4.204 -3.775 1.00 0.00 C ATOM 62 CE1 PHE A 3 -12.528 -3.333 -3.472 1.00 0.00 C ATOM 63 CE2 PHE A 3 -10.871 -4.940 -2.999 1.00 0.00 C ATOM 64 CZ PHE A 3 -12.147 -4.489 -2.864 1.00 0.00 C ATOM 0 H PHE A 3 -8.090 -4.085 -6.523 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.460 -2.377 -7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.301 -2.521 -4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.440 -1.193 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.895 -1.681 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.923 -4.562 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.541 -2.975 -3.365 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -10.569 -5.858 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.858 -5.049 -2.274 1.00 0.00 H new ATOM 74 N THR A 4 -9.249 -0.513 -8.095 1.00 0.00 N ATOM 75 CA THR A 4 -8.562 0.532 -8.835 1.00 0.00 C ATOM 76 C THR A 4 -8.063 1.620 -7.882 1.00 0.00 C ATOM 77 O THR A 4 -8.651 1.841 -6.824 1.00 0.00 O ATOM 78 CB THR A 4 -9.517 1.056 -9.909 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.779 1.121 -9.250 1.00 0.00 O ATOM 80 CG2 THR A 4 -9.737 0.049 -11.039 1.00 0.00 C ATOM 0 H THR A 4 -10.267 -0.449 -8.112 1.00 0.00 H new ATOM 0 HA THR A 4 -7.672 0.146 -9.332 1.00 0.00 H new ATOM 0 HB THR A 4 -9.123 1.984 -10.323 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.483 1.298 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.422 0.471 -11.774 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.784 -0.174 -11.518 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.162 -0.868 -10.631 1.00 0.00 H new ATOM 88 N ALA A 5 -6.983 2.270 -8.291 1.00 0.00 N ATOM 89 CA ALA A 5 -6.398 3.329 -7.486 1.00 0.00 C ATOM 90 C ALA A 5 -7.480 4.351 -7.131 1.00 0.00 C ATOM 91 O ALA A 5 -7.421 4.982 -6.077 1.00 0.00 O ATOM 92 CB ALA A 5 -5.228 3.959 -8.245 1.00 0.00 C ATOM 0 H ALA A 5 -6.498 2.084 -9.169 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.004 2.928 -6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.789 4.754 -7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.474 3.198 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.587 4.375 -9.187 1.00 0.00 H new ATOM 98 N GLU A 6 -8.444 4.481 -8.031 1.00 0.00 N ATOM 99 CA GLU A 6 -9.538 5.416 -7.826 1.00 0.00 C ATOM 100 C GLU A 6 -10.409 4.964 -6.652 1.00 0.00 C ATOM 101 O GLU A 6 -10.730 5.759 -5.771 1.00 0.00 O ATOM 102 CB GLU A 6 -10.372 5.571 -9.099 1.00 0.00 C ATOM 103 CG GLU A 6 -9.777 6.641 -10.017 1.00 0.00 C ATOM 104 CD GLU A 6 -10.246 6.448 -11.460 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.215 5.285 -11.916 1.00 0.00 O ATOM 106 OE2 GLU A 6 -10.625 7.468 -12.075 1.00 0.00 O ATOM 0 H GLU A 6 -8.490 3.955 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.116 6.392 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.417 4.618 -9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.395 5.839 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.069 7.630 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.689 6.597 -9.976 1.00 0.00 H new ATOM 113 N GLN A 7 -10.766 3.688 -6.678 1.00 0.00 N ATOM 114 CA GLN A 7 -11.593 3.121 -5.627 1.00 0.00 C ATOM 115 C GLN A 7 -10.766 2.906 -4.358 1.00 0.00 C ATOM 116 O GLN A 7 -11.223 3.206 -3.256 1.00 0.00 O ATOM 117 CB GLN A 7 -12.243 1.814 -6.086 1.00 0.00 C ATOM 118 CG GLN A 7 -13.620 2.073 -6.701 1.00 0.00 C ATOM 119 CD GLN A 7 -13.535 3.118 -7.815 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.456 4.312 -7.577 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.554 2.604 -9.042 1.00 0.00 N ATOM 0 H GLN A 7 -10.497 3.031 -7.411 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.393 3.826 -5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.601 1.321 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.341 1.135 -5.239 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.025 1.143 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.309 2.415 -5.929 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.622 1.594 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.501 3.219 -9.854 1.00 0.00 H new ATOM 130 N LEU A 8 -9.563 2.387 -4.556 1.00 0.00 N ATOM 131 CA LEU A 8 -8.667 2.128 -3.441 1.00 0.00 C ATOM 132 C LEU A 8 -8.378 3.440 -2.709 1.00 0.00 C ATOM 133 O LEU A 8 -8.260 3.459 -1.485 1.00 0.00 O ATOM 134 CB LEU A 8 -7.409 1.402 -3.922 1.00 0.00 C ATOM 135 CG LEU A 8 -6.218 1.415 -2.961 1.00 0.00 C ATOM 136 CD1 LEU A 8 -6.099 0.083 -2.217 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.926 1.780 -3.694 1.00 0.00 C ATOM 0 H LEU A 8 -9.188 2.139 -5.471 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.138 1.458 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.670 0.365 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.094 1.848 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.392 2.187 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.245 0.119 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.009 -0.096 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.959 -0.724 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.095 1.782 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.734 1.048 -4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.027 2.770 -4.138 1.00 0.00 H new ATOM 149 N SER A 9 -8.274 4.505 -3.490 1.00 0.00 N ATOM 150 CA SER A 9 -8.001 5.819 -2.931 1.00 0.00 C ATOM 151 C SER A 9 -9.191 6.288 -2.091 1.00 0.00 C ATOM 152 O SER A 9 -9.107 7.302 -1.401 1.00 0.00 O ATOM 153 CB SER A 9 -7.697 6.834 -4.034 1.00 0.00 C ATOM 154 OG SER A 9 -7.673 8.170 -3.538 1.00 0.00 O ATOM 0 H SER A 9 -8.374 4.485 -4.505 1.00 0.00 H new ATOM 0 HA SER A 9 -7.121 5.743 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.735 6.599 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.449 6.752 -4.819 1.00 0.00 H new ATOM 0 HG SER A 9 -8.028 8.186 -2.625 1.00 0.00 H new ATOM 160 N GLN A 10 -10.272 5.526 -2.178 1.00 0.00 N ATOM 161 CA GLN A 10 -11.478 5.851 -1.435 1.00 0.00 C ATOM 162 C GLN A 10 -11.395 5.287 -0.016 1.00 0.00 C ATOM 163 O GLN A 10 -12.010 5.821 0.906 1.00 0.00 O ATOM 164 CB GLN A 10 -12.723 5.335 -2.158 1.00 0.00 C ATOM 165 CG GLN A 10 -12.612 5.557 -3.668 1.00 0.00 C ATOM 166 CD GLN A 10 -12.622 7.050 -4.005 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.742 7.676 -3.655 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -11.676 7.597 -4.546 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.338 4.685 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.560 6.936 -1.370 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.854 4.273 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.607 5.845 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.693 5.103 -4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.440 5.061 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.845 7.057 -4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.715 8.594 -4.756 1.00 0.00 H new ATOM 177 N TYR A 11 -10.629 4.214 0.116 1.00 0.00 N ATOM 178 CA TYR A 11 -10.457 3.571 1.408 1.00 0.00 C ATOM 179 C TYR A 11 -9.072 3.867 1.988 1.00 0.00 C ATOM 180 O TYR A 11 -8.336 2.948 2.346 1.00 0.00 O ATOM 181 CB TYR A 11 -10.579 2.068 1.151 1.00 0.00 C ATOM 182 CG TYR A 11 -11.687 1.693 0.165 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.744 2.555 -0.045 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.629 0.493 -0.515 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.787 2.202 -0.973 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.672 0.141 -1.443 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.700 1.013 -1.626 1.00 0.00 C ATOM 188 OH TYR A 11 -14.685 0.679 -2.503 1.00 0.00 O ATOM 0 H TYR A 11 -10.120 3.774 -0.651 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.199 3.935 2.119 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.627 1.696 0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.763 1.562 2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.789 3.494 0.486 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.802 -0.181 -0.351 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.620 2.867 -1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.639 -0.794 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.490 -0.197 -2.896 1.00 0.00 H new ATOM 198 N ASN A 12 -8.759 5.152 2.063 1.00 0.00 N ATOM 199 CA ASN A 12 -7.476 5.580 2.593 1.00 0.00 C ATOM 200 C ASN A 12 -7.590 5.764 4.108 1.00 0.00 C ATOM 201 O ASN A 12 -6.711 6.353 4.733 1.00 0.00 O ATOM 202 CB ASN A 12 -7.047 6.917 1.986 1.00 0.00 C ATOM 203 CG ASN A 12 -7.470 8.086 2.879 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.786 8.258 2.957 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -6.655 8.784 3.458 1.00 0.00 N flip ATOM 0 H ASN A 12 -9.372 5.911 1.765 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.738 4.818 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.965 6.929 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.491 7.031 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.658 8.596 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.970 9.555 4.046 1.00 0.00 H new ATOM 212 N GLY A 13 -8.682 5.248 4.653 1.00 0.00 N ATOM 213 CA GLY A 13 -8.923 5.347 6.083 1.00 0.00 C ATOM 214 C GLY A 13 -9.130 6.804 6.503 1.00 0.00 C ATOM 215 O GLY A 13 -8.174 7.496 6.848 1.00 0.00 O ATOM 0 H GLY A 13 -9.410 4.760 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.802 4.759 6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.079 4.924 6.628 1.00 0.00 H new ATOM 219 N THR A 14 -10.385 7.226 6.461 1.00 0.00 N ATOM 220 CA THR A 14 -10.730 8.587 6.834 1.00 0.00 C ATOM 221 C THR A 14 -12.249 8.772 6.830 1.00 0.00 C ATOM 222 O THR A 14 -12.800 9.427 7.713 1.00 0.00 O ATOM 223 CB THR A 14 -10.000 9.537 5.883 1.00 0.00 C ATOM 224 OG1 THR A 14 -9.687 10.667 6.693 1.00 0.00 O ATOM 225 CG2 THR A 14 -10.919 10.100 4.797 1.00 0.00 C ATOM 0 H THR A 14 -11.176 6.649 6.174 1.00 0.00 H new ATOM 0 HA THR A 14 -10.409 8.812 7.851 1.00 0.00 H new ATOM 0 HB THR A 14 -9.166 9.013 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.210 11.333 6.155 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.351 10.768 4.150 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.327 9.281 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.735 10.653 5.262 1.00 0.00 H new ATOM 293 N PRO A 19 -13.205 1.529 3.877 1.00 0.00 N ATOM 294 CA PRO A 19 -12.239 0.795 4.677 1.00 0.00 C ATOM 295 C PRO A 19 -10.831 1.369 4.501 1.00 0.00 C ATOM 296 O PRO A 19 -10.669 2.481 4.000 1.00 0.00 O ATOM 297 CB PRO A 19 -12.355 -0.646 4.209 1.00 0.00 C ATOM 298 CG PRO A 19 -13.040 -0.591 2.853 1.00 0.00 C ATOM 299 CD PRO A 19 -13.631 0.800 2.687 1.00 0.00 C ATOM 0 HA PRO A 19 -12.435 0.870 5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.372 -1.112 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.935 -1.240 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.327 -0.801 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.821 -1.348 2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.267 1.279 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.718 0.762 2.614 1.00 0.00 H new ATOM 307 N ILE A 20 -9.850 0.585 4.921 1.00 0.00 N ATOM 308 CA ILE A 20 -8.462 1.002 4.816 1.00 0.00 C ATOM 309 C ILE A 20 -7.675 -0.053 4.035 1.00 0.00 C ATOM 310 O ILE A 20 -7.342 -1.108 4.572 1.00 0.00 O ATOM 311 CB ILE A 20 -7.885 1.298 6.202 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.888 2.071 7.060 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.543 2.025 6.093 1.00 0.00 C ATOM 314 CD1 ILE A 20 -9.176 1.331 8.368 1.00 0.00 C ATOM 0 H ILE A 20 -9.988 -0.337 5.335 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.386 1.935 4.258 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.697 0.349 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.495 3.064 7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.816 2.210 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.155 2.224 7.092 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.835 1.402 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.682 2.968 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.892 1.902 8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.591 0.348 8.146 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.250 1.215 8.932 1.00 0.00 H new ATOM 326 N TYR A 21 -7.401 0.269 2.779 1.00 0.00 N ATOM 327 CA TYR A 21 -6.660 -0.637 1.919 1.00 0.00 C ATOM 328 C TYR A 21 -5.372 0.016 1.415 1.00 0.00 C ATOM 329 O TYR A 21 -5.362 1.199 1.076 1.00 0.00 O ATOM 330 CB TYR A 21 -7.572 -0.925 0.725 1.00 0.00 C ATOM 331 CG TYR A 21 -8.685 -1.932 1.021 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.719 -2.586 2.236 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.656 -2.187 0.073 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.767 -3.534 2.514 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.703 -3.135 0.351 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.707 -3.762 1.558 1.00 0.00 C ATOM 337 OH TYR A 21 -11.696 -4.657 1.822 1.00 0.00 O ATOM 0 H TYR A 21 -7.679 1.145 2.337 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.383 -1.541 2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.021 0.010 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.966 -1.301 -0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.960 -2.387 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.630 -1.675 -0.878 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.806 -4.052 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.468 -3.344 -0.382 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.297 -4.718 1.050 1.00 0.00 H new ATOM 347 N VAL A 22 -4.315 -0.783 1.381 1.00 0.00 N ATOM 348 CA VAL A 22 -3.024 -0.297 0.924 1.00 0.00 C ATOM 349 C VAL A 22 -2.660 -0.990 -0.391 1.00 0.00 C ATOM 350 O VAL A 22 -3.274 -1.989 -0.761 1.00 0.00 O ATOM 351 CB VAL A 22 -1.973 -0.498 2.017 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.611 0.039 1.573 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.416 0.150 3.330 1.00 0.00 C ATOM 0 H VAL A 22 -4.326 -1.763 1.662 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.067 0.774 0.726 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.871 -1.569 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.118 -0.116 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.287 -0.488 0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.692 1.105 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.651 -0.008 4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.561 1.220 3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.353 -0.299 3.660 1.00 0.00 H new ATOM 363 N ALA A 23 -1.662 -0.431 -1.060 1.00 0.00 N ATOM 364 CA ALA A 23 -1.208 -0.983 -2.325 1.00 0.00 C ATOM 365 C ALA A 23 0.314 -1.135 -2.294 1.00 0.00 C ATOM 366 O ALA A 23 1.028 -0.198 -1.939 1.00 0.00 O ATOM 367 CB ALA A 23 -1.681 -0.087 -3.472 1.00 0.00 C ATOM 0 H ALA A 23 -1.155 0.398 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.635 -1.973 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.341 -0.501 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.770 -0.036 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.270 0.914 -3.345 1.00 0.00 H new ATOM 373 N ILE A 24 0.766 -2.322 -2.671 1.00 0.00 N ATOM 374 CA ILE A 24 2.190 -2.609 -2.691 1.00 0.00 C ATOM 375 C ILE A 24 2.511 -3.494 -3.897 1.00 0.00 C ATOM 376 O ILE A 24 2.147 -4.668 -3.924 1.00 0.00 O ATOM 377 CB ILE A 24 2.635 -3.205 -1.354 1.00 0.00 C ATOM 378 CG1 ILE A 24 3.087 -2.109 -0.387 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.716 -4.268 -1.561 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.685 -2.712 0.885 1.00 0.00 C ATOM 0 H ILE A 24 0.171 -3.096 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 24 2.763 -1.689 -2.810 1.00 0.00 H new ATOM 0 HB ILE A 24 1.777 -3.701 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.826 -1.472 -0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.239 -1.474 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.015 -4.676 -0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.323 -5.069 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.581 -3.817 -2.048 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.998 -1.911 1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.936 -3.329 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.547 -3.326 0.626 1.00 0.00 H new ATOM 392 N LYS A 25 3.191 -2.896 -4.864 1.00 0.00 N ATOM 393 CA LYS A 25 3.565 -3.616 -6.070 1.00 0.00 C ATOM 394 C LYS A 25 2.313 -3.888 -6.906 1.00 0.00 C ATOM 395 O LYS A 25 2.348 -4.685 -7.842 1.00 0.00 O ATOM 396 CB LYS A 25 4.356 -4.877 -5.718 1.00 0.00 C ATOM 397 CG LYS A 25 5.621 -4.529 -4.930 1.00 0.00 C ATOM 398 CD LYS A 25 5.783 -5.450 -3.719 1.00 0.00 C ATOM 399 CE LYS A 25 6.330 -6.816 -4.138 1.00 0.00 C ATOM 400 NZ LYS A 25 7.750 -6.704 -4.539 1.00 0.00 N ATOM 0 H LYS A 25 3.493 -1.922 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 25 4.232 -3.010 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.731 -5.550 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.626 -5.408 -6.631 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.493 -4.617 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.574 -3.492 -4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.457 -4.991 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.821 -5.576 -3.222 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.233 -7.522 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.742 -7.211 -4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.185 -7.648 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.810 -6.292 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.254 -6.093 -3.865 1.00 0.00 H new ATOM 414 N GLY A 26 1.235 -3.211 -6.537 1.00 0.00 N ATOM 415 CA GLY A 26 -0.026 -3.371 -7.241 1.00 0.00 C ATOM 416 C GLY A 26 -0.940 -4.357 -6.511 1.00 0.00 C ATOM 417 O GLY A 26 -1.945 -4.802 -7.063 1.00 0.00 O ATOM 0 H GLY A 26 1.209 -2.551 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.523 -2.405 -7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.162 -3.725 -8.255 1.00 0.00 H new ATOM 421 N ARG A 27 -0.558 -4.670 -5.282 1.00 0.00 N ATOM 422 CA ARG A 27 -1.331 -5.595 -4.471 1.00 0.00 C ATOM 423 C ARG A 27 -2.038 -4.847 -3.339 1.00 0.00 C ATOM 424 O ARG A 27 -1.398 -4.131 -2.570 1.00 0.00 O ATOM 425 CB ARG A 27 -0.437 -6.683 -3.873 1.00 0.00 C ATOM 426 CG ARG A 27 -1.261 -7.905 -3.460 1.00 0.00 C ATOM 427 CD ARG A 27 -0.419 -8.881 -2.636 1.00 0.00 C ATOM 428 NE ARG A 27 -0.356 -10.194 -3.316 1.00 0.00 N ATOM 429 CZ ARG A 27 0.025 -11.331 -2.719 1.00 0.00 C ATOM 430 NH1 ARG A 27 0.379 -11.324 -1.427 1.00 0.00 N ATOM 431 NH2 ARG A 27 0.052 -12.477 -3.415 1.00 0.00 N ATOM 0 H ARG A 27 0.277 -4.299 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.071 -6.064 -5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.318 -6.979 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.093 -6.288 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.126 -7.585 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.642 -8.408 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.587 -8.483 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.851 -8.997 -1.642 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.619 -10.236 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.358 -10.453 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.669 -12.190 -0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.218 -12.483 -4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.342 -13.343 -2.961 1.00 0.00 H new ATOM 445 N VAL A 28 -3.347 -5.038 -3.273 1.00 0.00 N ATOM 446 CA VAL A 28 -4.147 -4.390 -2.248 1.00 0.00 C ATOM 447 C VAL A 28 -4.037 -5.182 -0.944 1.00 0.00 C ATOM 448 O VAL A 28 -4.360 -6.368 -0.905 1.00 0.00 O ATOM 449 CB VAL A 28 -5.591 -4.233 -2.732 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.537 -3.973 -1.558 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.700 -3.125 -3.781 1.00 0.00 C ATOM 0 H VAL A 28 -3.874 -5.632 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.773 -3.385 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.891 -5.169 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.556 -3.865 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.491 -4.810 -0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.239 -3.058 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.736 -3.034 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.372 -2.180 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.070 -3.370 -4.636 1.00 0.00 H new ATOM 461 N PHE A 29 -3.579 -4.494 0.092 1.00 0.00 N ATOM 462 CA PHE A 29 -3.422 -5.119 1.394 1.00 0.00 C ATOM 463 C PHE A 29 -4.336 -4.463 2.431 1.00 0.00 C ATOM 464 O PHE A 29 -4.693 -3.294 2.297 1.00 0.00 O ATOM 465 CB PHE A 29 -1.965 -4.916 1.815 1.00 0.00 C ATOM 466 CG PHE A 29 -0.969 -5.792 1.052 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.024 -7.146 1.171 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.028 -5.217 0.256 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.100 -7.959 0.463 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.896 -6.030 -0.452 1.00 0.00 C ATOM 471 CZ PHE A 29 0.841 -7.384 -0.333 1.00 0.00 C ATOM 0 H PHE A 29 -3.312 -3.510 0.056 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.685 -6.175 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.698 -3.869 1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.873 -5.123 2.881 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.770 -7.603 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.016 -4.142 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.144 -9.034 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.642 -5.573 -1.085 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.545 -8.002 -0.871 1.00 0.00 H new ATOM 481 N ASP A 30 -4.687 -5.244 3.442 1.00 0.00 N ATOM 482 CA ASP A 30 -5.553 -4.754 4.501 1.00 0.00 C ATOM 483 C ASP A 30 -4.702 -4.375 5.714 1.00 0.00 C ATOM 484 O ASP A 30 -3.956 -5.202 6.237 1.00 0.00 O ATOM 485 CB ASP A 30 -6.550 -5.828 4.939 1.00 0.00 C ATOM 486 CG ASP A 30 -6.967 -5.762 6.410 1.00 0.00 C ATOM 487 OD1 ASP A 30 -6.059 -5.582 7.250 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.185 -5.891 6.661 1.00 0.00 O ATOM 0 H ASP A 30 -4.387 -6.213 3.550 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.099 -3.891 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.443 -5.747 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.114 -6.808 4.744 1.00 0.00 H new ATOM 493 N VAL A 31 -4.842 -3.124 6.128 1.00 0.00 N ATOM 494 CA VAL A 31 -4.095 -2.625 7.270 1.00 0.00 C ATOM 495 C VAL A 31 -5.073 -2.086 8.317 1.00 0.00 C ATOM 496 O VAL A 31 -4.656 -1.519 9.326 1.00 0.00 O ATOM 497 CB VAL A 31 -3.074 -1.582 6.813 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.223 -2.117 5.659 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.764 -0.273 6.424 1.00 0.00 C ATOM 0 H VAL A 31 -5.462 -2.441 5.693 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.529 -3.431 7.737 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.409 -1.374 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.505 -1.356 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.689 -3.010 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.868 -2.367 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.016 0.451 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.463 -0.458 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.306 0.122 7.283 1.00 0.00 H new ATOM 509 N THR A 32 -6.353 -2.282 8.040 1.00 0.00 N ATOM 510 CA THR A 32 -7.393 -1.823 8.945 1.00 0.00 C ATOM 511 C THR A 32 -7.117 -2.313 10.368 1.00 0.00 C ATOM 512 O THR A 32 -7.562 -1.700 11.337 1.00 0.00 O ATOM 513 CB THR A 32 -8.741 -2.289 8.393 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.459 -2.719 9.546 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.618 -3.553 7.539 1.00 0.00 C ATOM 0 H THR A 32 -6.694 -2.752 7.202 1.00 0.00 H new ATOM 0 HA THR A 32 -7.410 -0.735 9.007 1.00 0.00 H new ATOM 0 HB THR A 32 -9.185 -1.490 7.799 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.347 -3.036 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.603 -3.841 7.172 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.958 -3.358 6.693 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.205 -4.361 8.143 1.00 0.00 H new ATOM 523 N THR A 33 -6.384 -3.414 10.448 1.00 0.00 N ATOM 524 CA THR A 33 -6.043 -3.994 11.736 1.00 0.00 C ATOM 525 C THR A 33 -5.347 -2.957 12.620 1.00 0.00 C ATOM 526 O THR A 33 -5.137 -3.191 13.809 1.00 0.00 O ATOM 527 CB THR A 33 -5.197 -5.243 11.483 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.675 -5.575 12.767 1.00 0.00 O ATOM 529 CG2 THR A 33 -3.954 -4.947 10.641 1.00 0.00 C ATOM 0 H THR A 33 -6.017 -3.920 9.642 1.00 0.00 H new ATOM 0 HA THR A 33 -6.936 -4.295 12.284 1.00 0.00 H new ATOM 0 HB THR A 33 -5.804 -5.997 10.982 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.006 -4.934 13.430 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.389 -5.867 10.491 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.257 -4.545 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.330 -4.218 11.158 1.00 0.00 H new ATOM 537 N GLY A 34 -5.009 -1.833 12.005 1.00 0.00 N ATOM 538 CA GLY A 34 -4.342 -0.760 12.722 1.00 0.00 C ATOM 539 C GLY A 34 -4.637 0.596 12.078 1.00 0.00 C ATOM 540 O GLY A 34 -3.723 1.377 11.820 1.00 0.00 O ATOM 0 H GLY A 34 -5.185 -1.642 11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.671 -0.752 13.761 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.266 -0.937 12.730 1.00 0.00 H new ATOM 544 N LYS A 35 -5.918 0.834 11.838 1.00 0.00 N ATOM 545 CA LYS A 35 -6.346 2.082 11.229 1.00 0.00 C ATOM 546 C LYS A 35 -5.736 3.255 11.999 1.00 0.00 C ATOM 547 O LYS A 35 -5.597 4.352 11.459 1.00 0.00 O ATOM 548 CB LYS A 35 -7.872 2.136 11.133 1.00 0.00 C ATOM 549 CG LYS A 35 -8.461 3.009 12.244 1.00 0.00 C ATOM 550 CD LYS A 35 -9.972 2.804 12.359 1.00 0.00 C ATOM 551 CE LYS A 35 -10.731 4.054 11.910 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.451 4.662 13.052 1.00 0.00 N ATOM 0 H LYS A 35 -6.674 0.184 12.054 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.983 2.150 10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.165 2.532 10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.280 1.128 11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.984 2.766 13.194 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.247 4.058 12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.274 1.952 11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.233 2.567 13.390 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.034 4.777 11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.439 3.794 11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.961 5.509 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.130 3.976 13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.769 4.929 13.790 1.00 0.00 H new ATOM 566 N SER A 36 -5.389 2.985 13.248 1.00 0.00 N ATOM 567 CA SER A 36 -4.797 4.005 14.098 1.00 0.00 C ATOM 568 C SER A 36 -3.506 4.528 13.465 1.00 0.00 C ATOM 569 O SER A 36 -3.019 5.596 13.834 1.00 0.00 O ATOM 570 CB SER A 36 -4.518 3.459 15.500 1.00 0.00 C ATOM 571 OG SER A 36 -5.591 3.725 16.399 1.00 0.00 O ATOM 0 H SER A 36 -5.506 2.075 13.693 1.00 0.00 H new ATOM 0 HA SER A 36 -5.507 4.827 14.192 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.350 2.383 15.444 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.602 3.905 15.887 1.00 0.00 H new ATOM 0 HG SER A 36 -5.376 3.360 17.282 1.00 0.00 H new ATOM 577 N PHE A 37 -2.989 3.752 12.524 1.00 0.00 N ATOM 578 CA PHE A 37 -1.764 4.125 11.837 1.00 0.00 C ATOM 579 C PHE A 37 -2.051 4.548 10.395 1.00 0.00 C ATOM 580 O PHE A 37 -1.480 5.521 9.904 1.00 0.00 O ATOM 581 CB PHE A 37 -0.865 2.887 11.823 1.00 0.00 C ATOM 582 CG PHE A 37 -0.500 2.367 13.215 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.243 3.137 14.054 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.918 1.136 13.613 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.582 2.655 15.346 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.579 0.654 14.905 1.00 0.00 C ATOM 587 CZ PHE A 37 0.164 1.424 15.744 1.00 0.00 C ATOM 0 H PHE A 37 -3.396 2.867 12.221 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.292 4.965 12.347 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.366 2.093 11.270 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.052 3.122 11.282 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.575 4.115 13.738 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.508 0.525 12.946 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.172 3.266 16.013 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.911 -0.324 15.221 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.422 1.058 16.727 1.00 0.00 H new ATOM 597 N TYR A 38 -2.937 3.797 9.756 1.00 0.00 N ATOM 598 CA TYR A 38 -3.307 4.082 8.381 1.00 0.00 C ATOM 599 C TYR A 38 -4.594 4.907 8.319 1.00 0.00 C ATOM 600 O TYR A 38 -4.736 5.779 7.464 1.00 0.00 O ATOM 601 CB TYR A 38 -3.553 2.724 7.720 1.00 0.00 C ATOM 602 CG TYR A 38 -2.472 2.315 6.717 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.348 2.994 5.522 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.622 1.268 7.008 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.331 2.609 4.578 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.605 0.883 6.063 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.510 1.572 4.895 1.00 0.00 C ATOM 608 OH TYR A 38 0.451 1.209 4.003 1.00 0.00 O ATOM 0 H TYR A 38 -3.409 2.991 10.166 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.523 4.653 7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.622 1.961 8.496 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.516 2.749 7.211 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.013 3.814 5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.719 0.737 7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.223 3.132 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.067 0.065 6.278 1.00 0.00 H new ATOM 0 HH TYR A 38 1.013 0.509 4.395 1.00 0.00 H new ATOM 618 N GLY A 39 -5.499 4.601 9.236 1.00 0.00 N ATOM 619 CA GLY A 39 -6.770 5.303 9.297 1.00 0.00 C ATOM 620 C GLY A 39 -6.564 6.817 9.223 1.00 0.00 C ATOM 621 O GLY A 39 -5.433 7.289 9.115 1.00 0.00 O ATOM 0 H GLY A 39 -5.378 3.876 9.943 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.408 4.979 8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.287 5.047 10.222 1.00 0.00 H new ATOM 625 N SER A 40 -7.675 7.537 9.283 1.00 0.00 N ATOM 626 CA SER A 40 -7.630 8.988 9.224 1.00 0.00 C ATOM 627 C SER A 40 -6.360 9.501 9.905 1.00 0.00 C ATOM 628 O SER A 40 -6.096 9.174 11.061 1.00 0.00 O ATOM 629 CB SER A 40 -8.869 9.604 9.878 1.00 0.00 C ATOM 630 OG SER A 40 -9.160 10.898 9.357 1.00 0.00 O ATOM 0 H SER A 40 -8.611 7.142 9.372 1.00 0.00 H new ATOM 0 HA SER A 40 -7.618 9.287 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.726 8.949 9.721 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.714 9.673 10.955 1.00 0.00 H new ATOM 0 HG SER A 40 -9.350 10.829 8.398 1.00 0.00 H new ATOM 636 N GLY A 41 -5.606 10.295 9.159 1.00 0.00 N ATOM 637 CA GLY A 41 -4.370 10.856 9.676 1.00 0.00 C ATOM 638 C GLY A 41 -3.687 9.883 10.639 1.00 0.00 C ATOM 639 O GLY A 41 -3.961 9.894 11.838 1.00 0.00 O ATOM 0 H GLY A 41 -5.828 10.563 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.698 11.087 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.579 11.795 10.189 1.00 0.00 H new ATOM 643 N GLY A 42 -2.810 9.063 10.077 1.00 0.00 N ATOM 644 CA GLY A 42 -2.085 8.085 10.871 1.00 0.00 C ATOM 645 C GLY A 42 -0.656 7.910 10.354 1.00 0.00 C ATOM 646 O GLY A 42 -0.232 8.614 9.439 1.00 0.00 O ATOM 0 H GLY A 42 -2.585 9.056 9.082 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.062 8.403 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.606 7.128 10.841 1.00 0.00 H new ATOM 650 N ASP A 43 0.048 6.966 10.962 1.00 0.00 N ATOM 651 CA ASP A 43 1.420 6.690 10.575 1.00 0.00 C ATOM 652 C ASP A 43 1.505 6.589 9.051 1.00 0.00 C ATOM 653 O ASP A 43 2.388 7.185 8.434 1.00 0.00 O ATOM 654 CB ASP A 43 1.902 5.362 11.163 1.00 0.00 C ATOM 655 CG ASP A 43 2.989 5.485 12.233 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.658 6.541 12.244 1.00 0.00 O ATOM 657 OD2 ASP A 43 3.126 4.521 13.016 1.00 0.00 O ATOM 0 H ASP A 43 -0.307 6.383 11.720 1.00 0.00 H new ATOM 0 HA ASP A 43 2.045 7.500 10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.047 4.841 11.593 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.280 4.739 10.352 1.00 0.00 H new ATOM 662 N TYR A 44 0.576 5.832 8.487 1.00 0.00 N ATOM 663 CA TYR A 44 0.535 5.646 7.046 1.00 0.00 C ATOM 664 C TYR A 44 -0.539 6.530 6.410 1.00 0.00 C ATOM 665 O TYR A 44 -1.439 6.032 5.736 1.00 0.00 O ATOM 666 CB TYR A 44 0.169 4.177 6.821 1.00 0.00 C ATOM 667 CG TYR A 44 0.809 3.216 7.824 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.182 3.087 7.877 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.014 2.477 8.676 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.785 2.182 8.821 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.616 1.572 9.620 1.00 0.00 C ATOM 672 CZ TYR A 44 1.972 1.469 9.646 1.00 0.00 C ATOM 673 OH TYR A 44 2.541 0.614 10.538 1.00 0.00 O ATOM 0 H TYR A 44 -0.154 5.340 9.001 1.00 0.00 H new ATOM 0 HA TYR A 44 1.492 5.912 6.597 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.915 4.071 6.873 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.470 3.888 5.814 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.805 3.665 7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.061 2.578 8.635 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.858 2.072 8.873 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.005 0.988 10.292 1.00 0.00 H new ATOM 0 HH TYR A 44 1.840 0.174 11.062 1.00 0.00 H new ATOM 683 N SER A 45 -0.409 7.827 6.646 1.00 0.00 N ATOM 684 CA SER A 45 -1.358 8.785 6.105 1.00 0.00 C ATOM 685 C SER A 45 -1.138 8.945 4.599 1.00 0.00 C ATOM 686 O SER A 45 -2.085 9.191 3.853 1.00 0.00 O ATOM 687 CB SER A 45 -1.234 10.140 6.806 1.00 0.00 C ATOM 688 OG SER A 45 0.020 10.763 6.546 1.00 0.00 O ATOM 0 H SER A 45 0.339 8.237 7.205 1.00 0.00 H new ATOM 0 HA SER A 45 -2.365 8.406 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.040 10.795 6.474 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.356 10.005 7.881 1.00 0.00 H new ATOM 0 HG SER A 45 0.059 11.626 7.009 1.00 0.00 H new ATOM 694 N MET A 46 0.116 8.800 4.198 1.00 0.00 N ATOM 695 CA MET A 46 0.472 8.925 2.795 1.00 0.00 C ATOM 696 C MET A 46 0.223 7.614 2.046 1.00 0.00 C ATOM 697 O MET A 46 -0.074 7.623 0.853 1.00 0.00 O ATOM 698 CB MET A 46 1.948 9.309 2.675 1.00 0.00 C ATOM 699 CG MET A 46 2.824 8.395 3.535 1.00 0.00 C ATOM 700 SD MET A 46 3.265 9.225 5.052 1.00 0.00 S ATOM 701 CE MET A 46 3.739 10.820 4.407 1.00 0.00 C ATOM 0 H MET A 46 0.898 8.597 4.820 1.00 0.00 H new ATOM 0 HA MET A 46 -0.152 9.700 2.349 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.261 9.243 1.633 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.084 10.345 2.984 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.291 7.471 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.725 8.119 2.986 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.574 11.213 4.986 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.038 10.716 3.364 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.895 11.506 4.476 1.00 0.00 H new ATOM 711 N PHE A 47 0.352 6.518 2.779 1.00 0.00 N ATOM 712 CA PHE A 47 0.144 5.201 2.200 1.00 0.00 C ATOM 713 C PHE A 47 -1.348 4.897 2.050 1.00 0.00 C ATOM 714 O PHE A 47 -1.762 4.267 1.079 1.00 0.00 O ATOM 715 CB PHE A 47 0.765 4.186 3.162 1.00 0.00 C ATOM 716 CG PHE A 47 2.267 4.379 3.385 1.00 0.00 C ATOM 717 CD1 PHE A 47 2.977 5.196 2.562 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.891 3.732 4.406 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.371 5.374 2.769 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.284 3.911 4.613 1.00 0.00 C ATOM 721 CZ PHE A 47 4.995 4.728 3.790 1.00 0.00 C ATOM 0 H PHE A 47 0.598 6.515 3.769 1.00 0.00 H new ATOM 0 HA PHE A 47 0.598 5.154 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.254 4.251 4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.591 3.181 2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.481 5.709 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.327 3.082 5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.935 6.023 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.779 3.398 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.055 4.864 3.947 1.00 0.00 H new ATOM 731 N ALA A 48 -2.114 5.360 3.027 1.00 0.00 N ATOM 732 CA ALA A 48 -3.551 5.145 3.016 1.00 0.00 C ATOM 733 C ALA A 48 -4.103 5.486 1.631 1.00 0.00 C ATOM 734 O ALA A 48 -3.848 6.568 1.106 1.00 0.00 O ATOM 735 CB ALA A 48 -4.200 5.978 4.123 1.00 0.00 C ATOM 0 H ALA A 48 -1.767 5.883 3.831 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.784 4.099 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.278 5.817 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.795 5.677 5.089 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.990 7.034 3.954 1.00 0.00 H new ATOM 741 N GLY A 49 -4.849 4.541 1.077 1.00 0.00 N ATOM 742 CA GLY A 49 -5.439 4.727 -0.238 1.00 0.00 C ATOM 743 C GLY A 49 -4.381 5.155 -1.257 1.00 0.00 C ATOM 744 O GLY A 49 -4.669 5.931 -2.167 1.00 0.00 O ATOM 0 H GLY A 49 -5.058 3.644 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.909 3.799 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.224 5.481 -0.185 1.00 0.00 H new ATOM 748 N LYS A 50 -3.179 4.629 -1.072 1.00 0.00 N ATOM 749 CA LYS A 50 -2.077 4.947 -1.964 1.00 0.00 C ATOM 750 C LYS A 50 -1.033 3.831 -1.895 1.00 0.00 C ATOM 751 O LYS A 50 -0.874 3.187 -0.859 1.00 0.00 O ATOM 752 CB LYS A 50 -1.516 6.335 -1.649 1.00 0.00 C ATOM 753 CG LYS A 50 -2.531 7.427 -1.988 1.00 0.00 C ATOM 754 CD LYS A 50 -1.841 8.780 -2.172 1.00 0.00 C ATOM 755 CE LYS A 50 -2.761 9.928 -1.750 1.00 0.00 C ATOM 756 NZ LYS A 50 -3.048 10.812 -2.902 1.00 0.00 N ATOM 0 H LYS A 50 -2.944 3.984 -0.317 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.424 4.996 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.253 6.394 -0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.599 6.498 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.066 7.161 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.273 7.498 -1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.925 8.808 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.552 8.906 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.693 9.527 -1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.292 10.503 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.673 11.586 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.158 11.209 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.515 10.264 -3.653 1.00 0.00 H new ATOM 770 N ASP A 51 -0.348 3.636 -3.013 1.00 0.00 N ATOM 771 CA ASP A 51 0.677 2.609 -3.092 1.00 0.00 C ATOM 772 C ASP A 51 2.006 3.181 -2.596 1.00 0.00 C ATOM 773 O ASP A 51 2.477 4.197 -3.105 1.00 0.00 O ATOM 774 CB ASP A 51 0.874 2.138 -4.535 1.00 0.00 C ATOM 775 CG ASP A 51 1.857 0.979 -4.708 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.877 0.987 -3.986 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.567 0.110 -5.559 1.00 0.00 O ATOM 0 H ASP A 51 -0.483 4.171 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 51 0.359 1.767 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.093 1.838 -4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.221 2.981 -5.132 1.00 0.00 H new ATOM 782 N ALA A 52 2.574 2.504 -1.609 1.00 0.00 N ATOM 783 CA ALA A 52 3.840 2.932 -1.039 1.00 0.00 C ATOM 784 C ALA A 52 4.904 1.867 -1.311 1.00 0.00 C ATOM 785 O ALA A 52 5.557 1.386 -0.386 1.00 0.00 O ATOM 786 CB ALA A 52 3.660 3.208 0.455 1.00 0.00 C ATOM 0 H ALA A 52 2.181 1.662 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 52 4.176 3.859 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.610 3.529 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.916 3.993 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.326 2.299 0.955 1.00 0.00 H new ATOM 792 N SER A 53 5.045 1.529 -2.585 1.00 0.00 N ATOM 793 CA SER A 53 6.018 0.529 -2.990 1.00 0.00 C ATOM 794 C SER A 53 7.428 1.121 -2.939 1.00 0.00 C ATOM 795 O SER A 53 8.305 0.587 -2.261 1.00 0.00 O ATOM 796 CB SER A 53 5.715 0.003 -4.394 1.00 0.00 C ATOM 797 OG SER A 53 6.898 -0.392 -5.084 1.00 0.00 O ATOM 0 H SER A 53 4.502 1.930 -3.350 1.00 0.00 H new ATOM 0 HA SER A 53 5.956 -0.309 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.036 -0.847 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.202 0.775 -4.967 1.00 0.00 H new ATOM 0 HG SER A 53 6.662 -0.723 -5.976 1.00 0.00 H new ATOM 803 N ARG A 54 7.603 2.215 -3.664 1.00 0.00 N ATOM 804 CA ARG A 54 8.892 2.885 -3.710 1.00 0.00 C ATOM 805 C ARG A 54 9.214 3.510 -2.351 1.00 0.00 C ATOM 806 O ARG A 54 10.373 3.554 -1.943 1.00 0.00 O ATOM 807 CB ARG A 54 8.908 3.976 -4.782 1.00 0.00 C ATOM 808 CG ARG A 54 8.863 5.368 -4.148 1.00 0.00 C ATOM 809 CD ARG A 54 10.222 5.743 -3.552 1.00 0.00 C ATOM 810 NE ARG A 54 10.599 7.111 -3.974 1.00 0.00 N ATOM 811 CZ ARG A 54 10.711 7.499 -5.252 1.00 0.00 C ATOM 812 NH1 ARG A 54 10.476 6.626 -6.240 1.00 0.00 N ATOM 813 NH2 ARG A 54 11.059 8.760 -5.541 1.00 0.00 N ATOM 0 H ARG A 54 6.874 2.655 -4.225 1.00 0.00 H new ATOM 0 HA ARG A 54 9.645 2.137 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.806 3.879 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.055 3.848 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.575 6.104 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.101 5.392 -3.369 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.179 5.688 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.980 5.031 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 54 10.785 7.801 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.212 5.666 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.561 6.921 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.239 9.425 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.144 9.055 -6.514 1.00 0.00 H new ATOM 827 N ALA A 55 8.167 3.977 -1.687 1.00 0.00 N ATOM 828 CA ALA A 55 8.323 4.597 -0.383 1.00 0.00 C ATOM 829 C ALA A 55 8.943 3.588 0.586 1.00 0.00 C ATOM 830 O ALA A 55 9.872 3.918 1.321 1.00 0.00 O ATOM 831 CB ALA A 55 6.967 5.115 0.103 1.00 0.00 C ATOM 0 H ALA A 55 7.207 3.938 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 55 8.996 5.453 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.085 5.580 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.584 5.850 -0.604 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.266 4.284 0.178 1.00 0.00 H new ATOM 837 N LEU A 56 8.403 2.379 0.556 1.00 0.00 N ATOM 838 CA LEU A 56 8.891 1.319 1.422 1.00 0.00 C ATOM 839 C LEU A 56 10.349 1.013 1.074 1.00 0.00 C ATOM 840 O LEU A 56 11.187 0.873 1.964 1.00 0.00 O ATOM 841 CB LEU A 56 7.972 0.099 1.347 1.00 0.00 C ATOM 842 CG LEU A 56 6.798 0.081 2.329 1.00 0.00 C ATOM 843 CD1 LEU A 56 6.189 1.476 2.480 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.754 -0.959 1.916 1.00 0.00 C ATOM 0 H LEU A 56 7.632 2.109 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 56 8.872 1.639 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.574 0.031 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.573 -0.795 1.514 1.00 0.00 H new ATOM 0 HG LEU A 56 7.176 -0.213 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.357 1.436 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.946 2.165 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.829 1.823 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.931 -0.951 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.375 -0.719 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.212 -1.948 1.901 1.00 0.00 H new ATOM 856 N GLY A 57 10.608 0.919 -0.222 1.00 0.00 N ATOM 857 CA GLY A 57 11.950 0.632 -0.698 1.00 0.00 C ATOM 858 C GLY A 57 12.967 1.600 -0.089 1.00 0.00 C ATOM 859 O GLY A 57 13.710 1.234 0.820 1.00 0.00 O ATOM 0 H GLY A 57 9.911 1.037 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.219 -0.393 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.978 0.706 -1.785 1.00 0.00 H new ATOM 863 N LYS A 58 12.966 2.816 -0.614 1.00 0.00 N ATOM 864 CA LYS A 58 13.879 3.840 -0.134 1.00 0.00 C ATOM 865 C LYS A 58 13.561 4.155 1.329 1.00 0.00 C ATOM 866 O LYS A 58 14.422 4.632 2.067 1.00 0.00 O ATOM 867 CB LYS A 58 13.841 5.065 -1.049 1.00 0.00 C ATOM 868 CG LYS A 58 14.048 4.664 -2.511 1.00 0.00 C ATOM 869 CD LYS A 58 13.429 5.695 -3.456 1.00 0.00 C ATOM 870 CE LYS A 58 13.130 5.077 -4.823 1.00 0.00 C ATOM 871 NZ LYS A 58 14.330 5.126 -5.688 1.00 0.00 N ATOM 0 H LYS A 58 12.347 3.116 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 58 14.907 3.479 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.884 5.575 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.615 5.772 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.114 4.570 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.601 3.686 -2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.509 6.086 -3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.109 6.538 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.806 4.044 -4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.309 5.613 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.351 4.286 -6.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.299 5.983 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.185 5.144 -5.096 1.00 0.00 H new ATOM 885 N MET A 59 12.321 3.876 1.705 1.00 0.00 N ATOM 886 CA MET A 59 11.878 4.124 3.066 1.00 0.00 C ATOM 887 C MET A 59 11.826 5.624 3.361 1.00 0.00 C ATOM 888 O MET A 59 12.429 6.092 4.326 1.00 0.00 O ATOM 889 CB MET A 59 12.835 3.443 4.047 1.00 0.00 C ATOM 890 CG MET A 59 12.920 1.940 3.776 1.00 0.00 C ATOM 891 SD MET A 59 14.123 1.191 4.862 1.00 0.00 S ATOM 892 CE MET A 59 13.135 1.002 6.336 1.00 0.00 C ATOM 0 H MET A 59 11.610 3.481 1.090 1.00 0.00 H new ATOM 0 HA MET A 59 10.874 3.715 3.181 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.826 3.888 3.962 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.496 3.613 5.069 1.00 0.00 H new ATOM 0 HG2 MET A 59 11.944 1.479 3.928 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.197 1.765 2.737 1.00 0.00 H new ATOM 0 HE1 MET A 59 13.716 1.310 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.242 1.623 6.258 1.00 0.00 H new ATOM 0 HE3 MET A 59 12.842 -0.042 6.447 1.00 0.00 H new ATOM 902 N SER A 60 11.099 6.337 2.513 1.00 0.00 N ATOM 903 CA SER A 60 10.961 7.775 2.670 1.00 0.00 C ATOM 904 C SER A 60 9.538 8.117 3.116 1.00 0.00 C ATOM 905 O SER A 60 9.299 9.189 3.671 1.00 0.00 O ATOM 906 CB SER A 60 11.301 8.507 1.371 1.00 0.00 C ATOM 907 OG SER A 60 11.962 9.746 1.613 1.00 0.00 O ATOM 0 H SER A 60 10.599 5.945 1.715 1.00 0.00 H new ATOM 0 HA SER A 60 11.664 8.105 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.936 7.872 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.386 8.688 0.807 1.00 0.00 H new ATOM 0 HG SER A 60 11.325 10.483 1.505 1.00 0.00 H new ATOM 913 N LYS A 61 8.631 7.187 2.856 1.00 0.00 N ATOM 914 CA LYS A 61 7.238 7.378 3.224 1.00 0.00 C ATOM 915 C LYS A 61 6.732 8.693 2.627 1.00 0.00 C ATOM 916 O LYS A 61 5.720 9.232 3.071 1.00 0.00 O ATOM 917 CB LYS A 61 7.066 7.285 4.741 1.00 0.00 C ATOM 918 CG LYS A 61 7.533 8.572 5.425 1.00 0.00 C ATOM 919 CD LYS A 61 6.766 8.810 6.727 1.00 0.00 C ATOM 920 CE LYS A 61 7.615 8.428 7.941 1.00 0.00 C ATOM 921 NZ LYS A 61 6.997 7.299 8.672 1.00 0.00 N ATOM 0 H LYS A 61 8.833 6.300 2.395 1.00 0.00 H new ATOM 0 HA LYS A 61 6.622 6.581 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.019 7.100 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.635 6.438 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.601 8.510 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.388 9.418 4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.477 9.859 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.846 8.225 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.619 8.153 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.717 9.286 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.586 7.053 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.048 7.574 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.922 6.476 8.041 1.00 0.00 H new ATOM 935 N ASN A 62 7.461 9.171 1.628 1.00 0.00 N ATOM 936 CA ASN A 62 7.099 10.412 0.966 1.00 0.00 C ATOM 937 C ASN A 62 5.726 10.254 0.310 1.00 0.00 C ATOM 938 O ASN A 62 5.308 9.140 -0.002 1.00 0.00 O ATOM 939 CB ASN A 62 8.108 10.767 -0.128 1.00 0.00 C ATOM 940 CG ASN A 62 9.272 11.580 0.442 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.064 11.103 1.238 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.331 12.830 -0.008 1.00 0.00 N ATOM 0 H ASN A 62 8.300 8.721 1.262 1.00 0.00 H new ATOM 0 HA ASN A 62 7.087 11.203 1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.488 9.854 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.612 11.337 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.072 13.453 0.313 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.635 13.166 -0.674 1.00 0.00 H new ATOM 949 N GLU A 63 5.062 11.385 0.119 1.00 0.00 N ATOM 950 CA GLU A 63 3.745 11.385 -0.495 1.00 0.00 C ATOM 951 C GLU A 63 3.868 11.262 -2.015 1.00 0.00 C ATOM 952 O GLU A 63 2.919 10.861 -2.687 1.00 0.00 O ATOM 953 CB GLU A 63 2.961 12.641 -0.108 1.00 0.00 C ATOM 954 CG GLU A 63 1.454 12.377 -0.141 1.00 0.00 C ATOM 955 CD GLU A 63 0.693 13.610 -0.634 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.018 14.069 -1.750 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.197 14.065 0.117 1.00 0.00 O ATOM 0 H GLU A 63 5.412 12.307 0.379 1.00 0.00 H new ATOM 0 HA GLU A 63 3.192 10.522 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.256 12.965 0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.207 13.453 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.244 11.530 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.107 12.105 0.856 1.00 0.00 H new ATOM 964 N GLU A 64 5.044 11.615 -2.512 1.00 0.00 N ATOM 965 CA GLU A 64 5.303 11.550 -3.940 1.00 0.00 C ATOM 966 C GLU A 64 5.890 10.186 -4.311 1.00 0.00 C ATOM 967 O GLU A 64 5.608 9.656 -5.385 1.00 0.00 O ATOM 968 CB GLU A 64 6.229 12.684 -4.383 1.00 0.00 C ATOM 969 CG GLU A 64 6.010 13.935 -3.529 1.00 0.00 C ATOM 970 CD GLU A 64 7.087 14.986 -3.810 1.00 0.00 C ATOM 971 OE1 GLU A 64 6.899 15.744 -4.786 1.00 0.00 O ATOM 972 OE2 GLU A 64 8.073 15.006 -3.043 1.00 0.00 O ATOM 0 H GLU A 64 5.828 11.947 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 64 4.357 11.673 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.267 12.362 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.047 12.919 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.025 14.354 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.026 13.666 -2.473 1.00 0.00 H new ATOM 979 N ASP A 65 6.696 9.658 -3.402 1.00 0.00 N ATOM 980 CA ASP A 65 7.326 8.367 -3.620 1.00 0.00 C ATOM 981 C ASP A 65 6.245 7.316 -3.884 1.00 0.00 C ATOM 982 O ASP A 65 6.511 6.291 -4.511 1.00 0.00 O ATOM 983 CB ASP A 65 8.122 7.927 -2.390 1.00 0.00 C ATOM 984 CG ASP A 65 7.282 7.649 -1.141 1.00 0.00 C ATOM 985 OD1 ASP A 65 6.058 7.464 -1.311 1.00 0.00 O ATOM 986 OD2 ASP A 65 7.884 7.627 -0.046 1.00 0.00 O ATOM 0 H ASP A 65 6.927 10.101 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 65 8.001 8.460 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.681 7.026 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.853 8.700 -2.153 1.00 0.00 H new ATOM 991 N VAL A 66 5.050 7.606 -3.393 1.00 0.00 N ATOM 992 CA VAL A 66 3.928 6.699 -3.568 1.00 0.00 C ATOM 993 C VAL A 66 3.850 6.269 -5.035 1.00 0.00 C ATOM 994 O VAL A 66 3.418 7.042 -5.889 1.00 0.00 O ATOM 995 CB VAL A 66 2.640 7.356 -3.068 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.413 6.543 -3.484 1.00 0.00 C ATOM 997 CG2 VAL A 66 2.679 7.555 -1.552 1.00 0.00 C ATOM 0 H VAL A 66 4.833 8.457 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 66 4.069 5.798 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 66 2.563 8.339 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.511 7.032 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.372 6.477 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.481 5.540 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.752 8.024 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.791 6.588 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.522 8.195 -1.291 1.00 0.00 H new ATOM 1007 N SER A 67 4.273 5.038 -5.281 1.00 0.00 N ATOM 1008 CA SER A 67 4.256 4.497 -6.629 1.00 0.00 C ATOM 1009 C SER A 67 3.301 3.304 -6.702 1.00 0.00 C ATOM 1010 O SER A 67 3.591 2.238 -6.160 1.00 0.00 O ATOM 1011 CB SER A 67 5.660 4.081 -7.073 1.00 0.00 C ATOM 1012 OG SER A 67 5.688 2.747 -7.575 1.00 0.00 O ATOM 0 H SER A 67 4.630 4.400 -4.570 1.00 0.00 H new ATOM 0 HA SER A 67 3.906 5.276 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.014 4.766 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.347 4.166 -6.231 1.00 0.00 H new ATOM 0 HG SER A 67 5.630 2.764 -8.553 1.00 0.00 H new ATOM 1018 N PRO A 68 2.152 3.529 -7.394 1.00 0.00 N ATOM 1019 CA PRO A 68 1.153 2.485 -7.545 1.00 0.00 C ATOM 1020 C PRO A 68 1.603 1.438 -8.565 1.00 0.00 C ATOM 1021 O PRO A 68 0.829 0.558 -8.940 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.116 3.212 -7.960 1.00 0.00 C ATOM 1023 CG PRO A 68 0.332 4.570 -8.476 1.00 0.00 C ATOM 1024 CD PRO A 68 1.776 4.778 -8.049 1.00 0.00 C ATOM 0 HA PRO A 68 0.991 1.922 -6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.649 2.657 -8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.798 3.320 -7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.245 4.613 -9.562 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.303 5.360 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.417 4.984 -8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.870 5.625 -7.370 1.00 0.00 H new ATOM 1032 N SER A 69 2.853 1.567 -8.986 1.00 0.00 N ATOM 1033 CA SER A 69 3.415 0.643 -9.956 1.00 0.00 C ATOM 1034 C SER A 69 4.936 0.582 -9.799 1.00 0.00 C ATOM 1035 O SER A 69 5.591 1.613 -9.654 1.00 0.00 O ATOM 1036 CB SER A 69 3.045 1.050 -11.384 1.00 0.00 C ATOM 1037 OG SER A 69 2.832 -0.082 -12.223 1.00 0.00 O ATOM 0 H SER A 69 3.492 2.298 -8.673 1.00 0.00 H new ATOM 0 HA SER A 69 2.996 -0.346 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.143 1.662 -11.365 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.840 1.667 -11.803 1.00 0.00 H new ATOM 0 HG SER A 69 3.067 0.146 -13.147 1.00 0.00 H new ATOM 1043 N LEU A 70 5.454 -0.637 -9.835 1.00 0.00 N ATOM 1044 CA LEU A 70 6.885 -0.846 -9.699 1.00 0.00 C ATOM 1045 C LEU A 70 7.569 -0.548 -11.034 1.00 0.00 C ATOM 1046 O LEU A 70 8.321 -1.375 -11.549 1.00 0.00 O ATOM 1047 CB LEU A 70 7.173 -2.249 -9.160 1.00 0.00 C ATOM 1048 CG LEU A 70 6.412 -3.394 -9.831 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.255 -3.143 -11.332 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.079 -4.740 -9.542 1.00 0.00 C ATOM 0 H LEU A 70 4.908 -1.490 -9.956 1.00 0.00 H new ATOM 0 HA LEU A 70 7.302 -0.156 -8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.241 -2.442 -9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.943 -2.262 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 70 5.410 -3.433 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.711 -3.972 -11.785 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.703 -2.217 -11.490 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.240 -3.061 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.518 -5.537 -10.031 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.100 -4.729 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.095 -4.915 -8.466 1.00 0.00 H new ATOM 1062 N GLU A 71 7.284 0.635 -11.557 1.00 0.00 N ATOM 1063 CA GLU A 71 7.862 1.053 -12.823 1.00 0.00 C ATOM 1064 C GLU A 71 9.025 2.018 -12.583 1.00 0.00 C ATOM 1065 O GLU A 71 9.035 3.128 -13.114 1.00 0.00 O ATOM 1066 CB GLU A 71 6.803 1.685 -13.728 1.00 0.00 C ATOM 1067 CG GLU A 71 5.881 0.617 -14.321 1.00 0.00 C ATOM 1068 CD GLU A 71 4.650 1.255 -14.970 1.00 0.00 C ATOM 1069 OE1 GLU A 71 3.722 1.601 -14.208 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.666 1.381 -16.214 1.00 0.00 O ATOM 0 H GLU A 71 6.660 1.318 -11.127 1.00 0.00 H new ATOM 0 HA GLU A 71 8.247 0.170 -13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.214 2.403 -13.158 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.289 2.238 -14.532 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.426 0.032 -15.062 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.567 -0.073 -13.538 1.00 0.00 H new ATOM 1077 N GLY A 72 9.976 1.561 -11.783 1.00 0.00 N ATOM 1078 CA GLY A 72 11.141 2.370 -11.466 1.00 0.00 C ATOM 1079 C GLY A 72 11.874 1.819 -10.241 1.00 0.00 C ATOM 1080 O GLY A 72 13.078 2.024 -10.090 1.00 0.00 O ATOM 0 H GLY A 72 9.964 0.640 -11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.818 2.390 -12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.834 3.399 -11.278 1.00 0.00 H new ATOM 1084 N LEU A 73 11.118 1.131 -9.398 1.00 0.00 N ATOM 1085 CA LEU A 73 11.682 0.549 -8.192 1.00 0.00 C ATOM 1086 C LEU A 73 13.058 -0.038 -8.509 1.00 0.00 C ATOM 1087 O LEU A 73 13.162 -1.037 -9.219 1.00 0.00 O ATOM 1088 CB LEU A 73 10.709 -0.460 -7.579 1.00 0.00 C ATOM 1089 CG LEU A 73 9.676 0.111 -6.604 1.00 0.00 C ATOM 1090 CD1 LEU A 73 10.222 0.130 -5.176 1.00 0.00 C ATOM 1091 CD2 LEU A 73 9.202 1.493 -7.056 1.00 0.00 C ATOM 0 H LEU A 73 10.120 0.964 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 73 11.830 1.316 -7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.178 -0.960 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.288 -1.223 -7.058 1.00 0.00 H new ATOM 0 HG LEU A 73 8.805 -0.544 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.468 0.540 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.469 -0.886 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.118 0.749 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.469 1.876 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.053 2.173 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.746 1.416 -8.043 1.00 0.00 H new ATOM 1103 N THR A 74 14.081 0.607 -7.966 1.00 0.00 N ATOM 1104 CA THR A 74 15.447 0.161 -8.182 1.00 0.00 C ATOM 1105 C THR A 74 15.758 -1.049 -7.300 1.00 0.00 C ATOM 1106 O THR A 74 14.867 -1.594 -6.649 1.00 0.00 O ATOM 1107 CB THR A 74 16.377 1.350 -7.934 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.328 1.540 -6.523 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.823 2.656 -8.506 1.00 0.00 C ATOM 0 H THR A 74 13.991 1.435 -7.377 1.00 0.00 H new ATOM 0 HA THR A 74 15.596 -0.177 -9.207 1.00 0.00 H new ATOM 0 HB THR A 74 17.353 1.146 -8.375 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.580 2.462 -6.308 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.522 3.468 -8.303 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.689 2.554 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.863 2.879 -8.041 1.00 0.00 H new ATOM 1117 N GLU A 75 17.026 -1.434 -7.305 1.00 0.00 N ATOM 1118 CA GLU A 75 17.466 -2.570 -6.513 1.00 0.00 C ATOM 1119 C GLU A 75 17.381 -2.241 -5.021 1.00 0.00 C ATOM 1120 O GLU A 75 16.934 -3.065 -4.225 1.00 0.00 O ATOM 1121 CB GLU A 75 18.885 -2.993 -6.901 1.00 0.00 C ATOM 1122 CG GLU A 75 18.863 -4.253 -7.768 1.00 0.00 C ATOM 1123 CD GLU A 75 19.818 -4.117 -8.957 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.004 -4.464 -8.774 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.339 -3.669 -10.021 1.00 0.00 O ATOM 0 H GLU A 75 17.762 -0.979 -7.845 1.00 0.00 H new ATOM 0 HA GLU A 75 16.803 -3.410 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.375 -2.183 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.473 -3.176 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.145 -5.117 -7.167 1.00 0.00 H new ATOM 0 HG3 GLU A 75 17.850 -4.433 -8.129 1.00 0.00 H new ATOM 1132 N LYS A 76 17.818 -1.036 -4.687 1.00 0.00 N ATOM 1133 CA LYS A 76 17.797 -0.588 -3.305 1.00 0.00 C ATOM 1134 C LYS A 76 16.394 -0.791 -2.729 1.00 0.00 C ATOM 1135 O LYS A 76 16.237 -1.386 -1.664 1.00 0.00 O ATOM 1136 CB LYS A 76 18.302 0.852 -3.200 1.00 0.00 C ATOM 1137 CG LYS A 76 17.145 1.848 -3.303 1.00 0.00 C ATOM 1138 CD LYS A 76 17.616 3.270 -2.992 1.00 0.00 C ATOM 1139 CE LYS A 76 17.836 4.068 -4.278 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.958 5.020 -4.112 1.00 0.00 N ATOM 0 H LYS A 76 18.189 -0.356 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 76 18.480 -1.185 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.822 0.990 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 76 19.025 1.046 -3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.719 1.813 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.353 1.564 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.877 3.774 -2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.543 3.233 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.047 3.388 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 76 16.926 4.610 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.094 5.554 -4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.742 5.680 -3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.828 4.496 -3.887 1.00 0.00 H new ATOM 1154 N GLU A 77 15.411 -0.285 -3.459 1.00 0.00 N ATOM 1155 CA GLU A 77 14.026 -0.403 -3.033 1.00 0.00 C ATOM 1156 C GLU A 77 13.509 -1.818 -3.298 1.00 0.00 C ATOM 1157 O GLU A 77 12.807 -2.392 -2.467 1.00 0.00 O ATOM 1158 CB GLU A 77 13.149 0.640 -3.727 1.00 0.00 C ATOM 1159 CG GLU A 77 13.609 0.873 -5.168 1.00 0.00 C ATOM 1160 CD GLU A 77 14.269 2.245 -5.319 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.765 2.752 -4.289 1.00 0.00 O ATOM 1162 OE2 GLU A 77 14.264 2.755 -6.459 1.00 0.00 O ATOM 0 H GLU A 77 15.545 0.207 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 77 13.978 -0.214 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.111 0.308 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.187 1.578 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.313 0.093 -5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.756 0.800 -5.842 1.00 0.00 H new ATOM 1169 N ILE A 78 13.876 -2.341 -4.459 1.00 0.00 N ATOM 1170 CA ILE A 78 13.457 -3.678 -4.844 1.00 0.00 C ATOM 1171 C ILE A 78 13.805 -4.659 -3.723 1.00 0.00 C ATOM 1172 O ILE A 78 13.133 -5.675 -3.551 1.00 0.00 O ATOM 1173 CB ILE A 78 14.055 -4.057 -6.200 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.246 -3.446 -7.346 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.185 -5.575 -6.337 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.469 -4.523 -8.105 1.00 0.00 C ATOM 0 H ILE A 78 14.459 -1.863 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 78 12.376 -3.715 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 78 15.061 -3.641 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.553 -2.703 -6.951 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.915 -2.925 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.613 -5.817 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.835 -5.957 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.200 -6.034 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.903 -4.061 -8.914 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.167 -5.251 -8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.783 -5.026 -7.423 1.00 0.00 H new ATOM 1188 N ASN A 79 14.855 -4.320 -2.989 1.00 0.00 N ATOM 1189 CA ASN A 79 15.300 -5.159 -1.889 1.00 0.00 C ATOM 1190 C ASN A 79 14.504 -4.808 -0.630 1.00 0.00 C ATOM 1191 O ASN A 79 14.005 -5.695 0.060 1.00 0.00 O ATOM 1192 CB ASN A 79 16.783 -4.931 -1.588 1.00 0.00 C ATOM 1193 CG ASN A 79 17.663 -5.849 -2.439 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.716 -7.053 -2.247 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.347 -5.217 -3.387 1.00 0.00 N ATOM 0 H ASN A 79 15.410 -3.477 -3.134 1.00 0.00 H new ATOM 0 HA ASN A 79 15.145 -6.199 -2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 79 17.041 -3.890 -1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.976 -5.114 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.962 -5.742 -4.008 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.257 -4.207 -3.494 1.00 0.00 H new ATOM 1202 N THR A 80 14.409 -3.512 -0.371 1.00 0.00 N ATOM 1203 CA THR A 80 13.681 -3.033 0.792 1.00 0.00 C ATOM 1204 C THR A 80 12.173 -3.155 0.565 1.00 0.00 C ATOM 1205 O THR A 80 11.448 -3.638 1.433 1.00 0.00 O ATOM 1206 CB THR A 80 14.139 -1.602 1.080 1.00 0.00 C ATOM 1207 OG1 THR A 80 15.516 -1.739 1.417 1.00 0.00 O ATOM 1208 CG2 THR A 80 13.500 -1.026 2.345 1.00 0.00 C ATOM 0 H THR A 80 14.824 -2.779 -0.946 1.00 0.00 H new ATOM 0 HA THR A 80 13.895 -3.641 1.671 1.00 0.00 H new ATOM 0 HB THR A 80 13.896 -0.965 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.061 -1.656 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.859 -0.009 2.503 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.416 -1.015 2.232 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.769 -1.643 3.202 1.00 0.00 H new ATOM 1216 N LEU A 81 11.746 -2.707 -0.607 1.00 0.00 N ATOM 1217 CA LEU A 81 10.337 -2.760 -0.960 1.00 0.00 C ATOM 1218 C LEU A 81 9.854 -4.210 -0.898 1.00 0.00 C ATOM 1219 O LEU A 81 8.903 -4.522 -0.183 1.00 0.00 O ATOM 1220 CB LEU A 81 10.098 -2.090 -2.314 1.00 0.00 C ATOM 1221 CG LEU A 81 8.729 -2.335 -2.952 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.695 -3.682 -3.676 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.611 -2.213 -1.914 1.00 0.00 C ATOM 0 H LEU A 81 12.351 -2.306 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 81 9.743 -2.195 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.234 -1.015 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.866 -2.433 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 81 8.558 -1.563 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.711 -3.831 -4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.453 -3.693 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.897 -4.483 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.648 -2.392 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.765 -2.949 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.622 -1.212 -1.484 1.00 0.00 H new ATOM 1235 N ASN A 82 10.532 -5.059 -1.656 1.00 0.00 N ATOM 1236 CA ASN A 82 10.184 -6.469 -1.697 1.00 0.00 C ATOM 1237 C ASN A 82 9.990 -6.983 -0.269 1.00 0.00 C ATOM 1238 O ASN A 82 8.989 -7.633 0.030 1.00 0.00 O ATOM 1239 CB ASN A 82 11.297 -7.293 -2.348 1.00 0.00 C ATOM 1240 CG ASN A 82 11.170 -7.276 -3.873 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.647 -6.154 -4.360 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 11.525 -8.219 -4.562 1.00 0.00 N flip ATOM 0 H ASN A 82 11.321 -4.797 -2.247 1.00 0.00 H new ATOM 0 HA ASN A 82 9.269 -6.574 -2.281 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.268 -6.894 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.253 -8.321 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.919 -9.051 -4.123 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.428 -8.175 -5.576 1.00 0.00 H new ATOM 1249 N ASP A 83 10.962 -6.673 0.575 1.00 0.00 N ATOM 1250 CA ASP A 83 10.911 -7.095 1.965 1.00 0.00 C ATOM 1251 C ASP A 83 9.681 -6.479 2.635 1.00 0.00 C ATOM 1252 O ASP A 83 9.020 -7.128 3.444 1.00 0.00 O ATOM 1253 CB ASP A 83 12.151 -6.628 2.729 1.00 0.00 C ATOM 1254 CG ASP A 83 12.866 -7.717 3.530 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.182 -8.351 4.363 1.00 0.00 O ATOM 1256 OD2 ASP A 83 14.081 -7.893 3.291 1.00 0.00 O ATOM 0 H ASP A 83 11.791 -6.134 0.323 1.00 0.00 H new ATOM 0 HA ASP A 83 10.865 -8.184 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.857 -6.199 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.860 -5.829 3.411 1.00 0.00 H new ATOM 1261 N TRP A 84 9.413 -5.232 2.275 1.00 0.00 N ATOM 1262 CA TRP A 84 8.275 -4.521 2.831 1.00 0.00 C ATOM 1263 C TRP A 84 7.005 -5.274 2.431 1.00 0.00 C ATOM 1264 O TRP A 84 6.051 -5.345 3.205 1.00 0.00 O ATOM 1265 CB TRP A 84 8.269 -3.059 2.383 1.00 0.00 C ATOM 1266 CG TRP A 84 8.784 -2.081 3.441 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.852 -1.274 3.369 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.205 -1.838 4.740 1.00 0.00 C ATOM 1269 NE1 TRP A 84 10.003 -0.532 4.523 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.970 -0.886 5.383 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.073 -2.403 5.353 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.686 -0.416 6.671 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.803 -1.923 6.640 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.563 -0.965 7.301 1.00 0.00 C ATOM 0 H TRP A 84 9.965 -4.696 1.605 1.00 0.00 H new ATOM 0 HA TRP A 84 8.334 -4.491 3.919 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.880 -2.962 1.486 1.00 0.00 H new ATOM 0 HB3 TRP A 84 7.252 -2.778 2.108 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.511 -1.212 2.516 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.737 0.151 4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.460 -3.149 4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.301 0.330 7.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.944 -2.325 7.156 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.288 -0.646 8.296 1.00 0.00 H new ATOM 1285 N GLU A 85 7.033 -5.818 1.223 1.00 0.00 N ATOM 1286 CA GLU A 85 5.896 -6.563 0.711 1.00 0.00 C ATOM 1287 C GLU A 85 5.647 -7.807 1.566 1.00 0.00 C ATOM 1288 O GLU A 85 4.525 -8.047 2.008 1.00 0.00 O ATOM 1289 CB GLU A 85 6.104 -6.940 -0.757 1.00 0.00 C ATOM 1290 CG GLU A 85 5.439 -8.280 -1.079 1.00 0.00 C ATOM 1291 CD GLU A 85 6.483 -9.390 -1.218 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.441 -9.372 -0.416 1.00 0.00 O ATOM 1293 OE2 GLU A 85 6.300 -10.231 -2.125 1.00 0.00 O ATOM 0 H GLU A 85 7.826 -5.757 0.584 1.00 0.00 H new ATOM 0 HA GLU A 85 5.014 -5.925 0.767 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.690 -6.161 -1.398 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.171 -6.998 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.731 -8.538 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.869 -8.194 -2.004 1.00 0.00 H new ATOM 1300 N THR A 86 6.713 -8.565 1.774 1.00 0.00 N ATOM 1301 CA THR A 86 6.625 -9.779 2.569 1.00 0.00 C ATOM 1302 C THR A 86 6.170 -9.452 3.993 1.00 0.00 C ATOM 1303 O THR A 86 5.516 -10.266 4.642 1.00 0.00 O ATOM 1304 CB THR A 86 7.983 -10.482 2.511 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.943 -11.212 1.288 1.00 0.00 O ATOM 1306 CG2 THR A 86 8.129 -11.562 3.585 1.00 0.00 C ATOM 0 H THR A 86 7.643 -8.363 1.406 1.00 0.00 H new ATOM 0 HA THR A 86 5.873 -10.460 2.169 1.00 0.00 H new ATOM 0 HB THR A 86 8.779 -9.746 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.961 -10.587 0.533 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.110 -12.030 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.027 -11.110 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.354 -12.317 3.450 1.00 0.00 H new ATOM 1314 N LYS A 87 6.535 -8.258 4.437 1.00 0.00 N ATOM 1315 CA LYS A 87 6.173 -7.813 5.771 1.00 0.00 C ATOM 1316 C LYS A 87 4.695 -7.417 5.789 1.00 0.00 C ATOM 1317 O LYS A 87 3.981 -7.712 6.747 1.00 0.00 O ATOM 1318 CB LYS A 87 7.113 -6.700 6.239 1.00 0.00 C ATOM 1319 CG LYS A 87 8.570 -7.165 6.211 1.00 0.00 C ATOM 1320 CD LYS A 87 9.517 -5.988 5.969 1.00 0.00 C ATOM 1321 CE LYS A 87 10.414 -5.748 7.185 1.00 0.00 C ATOM 1322 NZ LYS A 87 9.860 -4.668 8.033 1.00 0.00 N ATOM 0 H LYS A 87 7.078 -7.585 3.896 1.00 0.00 H new ATOM 0 HA LYS A 87 6.295 -8.624 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.994 -5.826 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.845 -6.394 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.819 -7.649 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.703 -7.910 5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.133 -6.186 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.939 -5.089 5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.502 -6.666 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.418 -5.481 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.481 -4.518 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.799 -3.789 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.911 -4.937 8.362 1.00 0.00 H new ATOM 1336 N PHE A 88 4.279 -6.756 4.719 1.00 0.00 N ATOM 1337 CA PHE A 88 2.899 -6.317 4.600 1.00 0.00 C ATOM 1338 C PHE A 88 2.000 -7.460 4.125 1.00 0.00 C ATOM 1339 O PHE A 88 0.897 -7.642 4.640 1.00 0.00 O ATOM 1340 CB PHE A 88 2.875 -5.198 3.557 1.00 0.00 C ATOM 1341 CG PHE A 88 2.720 -3.797 4.151 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.614 -3.346 5.072 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.688 -3.002 3.760 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.471 -2.046 5.624 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.545 -1.701 4.312 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.439 -1.251 5.232 1.00 0.00 C ATOM 0 H PHE A 88 4.873 -6.514 3.926 1.00 0.00 H new ATOM 0 HA PHE A 88 2.530 -5.979 5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.797 -5.236 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.055 -5.380 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.433 -3.977 5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.977 -3.360 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.181 -1.688 6.355 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.726 -1.069 4.001 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.330 -0.262 5.652 1.00 0.00 H new ATOM 1356 N GLU A 89 2.503 -8.201 3.149 1.00 0.00 N ATOM 1357 CA GLU A 89 1.759 -9.321 2.599 1.00 0.00 C ATOM 1358 C GLU A 89 1.656 -10.447 3.630 1.00 0.00 C ATOM 1359 O GLU A 89 0.640 -11.137 3.701 1.00 0.00 O ATOM 1360 CB GLU A 89 2.400 -9.822 1.303 1.00 0.00 C ATOM 1361 CG GLU A 89 2.290 -11.344 1.190 1.00 0.00 C ATOM 1362 CD GLU A 89 3.431 -12.033 1.939 1.00 0.00 C ATOM 1363 OE1 GLU A 89 4.566 -11.981 1.418 1.00 0.00 O ATOM 1364 OE2 GLU A 89 3.143 -12.597 3.018 1.00 0.00 O ATOM 0 H GLU A 89 3.418 -8.047 2.725 1.00 0.00 H new ATOM 0 HA GLU A 89 0.752 -8.980 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.913 -9.354 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.449 -9.526 1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.333 -11.674 1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.310 -11.637 0.140 1.00 0.00 H new ATOM 1371 N ALA A 90 2.721 -10.597 4.404 1.00 0.00 N ATOM 1372 CA ALA A 90 2.763 -11.627 5.428 1.00 0.00 C ATOM 1373 C ALA A 90 2.252 -11.048 6.749 1.00 0.00 C ATOM 1374 O ALA A 90 2.682 -11.468 7.822 1.00 0.00 O ATOM 1375 CB ALA A 90 4.186 -12.175 5.543 1.00 0.00 C ATOM 0 H ALA A 90 3.561 -10.022 4.342 1.00 0.00 H new ATOM 0 HA ALA A 90 2.114 -12.461 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.217 -12.948 6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.490 -12.601 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.866 -11.367 5.813 1.00 0.00 H new ATOM 1381 N LYS A 91 1.343 -10.092 6.627 1.00 0.00 N ATOM 1382 CA LYS A 91 0.769 -9.451 7.798 1.00 0.00 C ATOM 1383 C LYS A 91 -0.638 -8.952 7.463 1.00 0.00 C ATOM 1384 O LYS A 91 -1.598 -9.277 8.160 1.00 0.00 O ATOM 1385 CB LYS A 91 1.702 -8.356 8.320 1.00 0.00 C ATOM 1386 CG LYS A 91 2.926 -8.962 9.010 1.00 0.00 C ATOM 1387 CD LYS A 91 3.537 -7.976 10.007 1.00 0.00 C ATOM 1388 CE LYS A 91 4.845 -8.521 10.586 1.00 0.00 C ATOM 1389 NZ LYS A 91 5.487 -7.510 11.456 1.00 0.00 N ATOM 0 H LYS A 91 0.990 -9.746 5.735 1.00 0.00 H new ATOM 0 HA LYS A 91 0.668 -10.167 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.023 -7.722 7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.164 -7.718 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.640 -9.878 9.527 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.670 -9.237 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.723 -7.022 9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.830 -7.784 10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.647 -9.428 11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.522 -8.795 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.373 -7.895 11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.694 -6.655 10.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.846 -7.268 12.239 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.716 -8.171 6.396 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.989 -7.624 5.961 1.00 0.00 C ATOM 1405 C TYR A 92 -2.668 -8.551 4.950 1.00 0.00 C ATOM 1406 O TYR A 92 -2.028 -9.032 4.016 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.665 -6.294 5.277 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.190 -5.201 6.236 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.771 -5.074 7.481 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.180 -4.341 5.855 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.324 -4.045 8.383 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.267 -3.312 6.757 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.327 -3.215 7.977 1.00 0.00 C ATOM 1414 OH TYR A 92 0.096 -2.243 8.829 1.00 0.00 O ATOM 0 H TYR A 92 0.082 -7.904 5.820 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.665 -7.505 6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.895 -6.462 4.524 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.553 -5.942 4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.561 -5.747 7.779 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.275 -4.440 4.880 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.771 -3.935 9.360 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.056 -2.632 6.472 1.00 0.00 H new ATOM 0 HH TYR A 92 0.813 -1.727 8.406 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.989 -8.781 5.178 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.761 -9.643 4.299 1.00 0.00 C ATOM 1426 C PRO A 93 -5.076 -8.937 2.978 1.00 0.00 C ATOM 1427 O PRO A 93 -5.435 -7.761 2.969 1.00 0.00 O ATOM 1428 CB PRO A 93 -6.007 -10.000 5.093 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.109 -8.961 6.197 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.779 -8.229 6.274 1.00 0.00 C ATOM 0 HA PRO A 93 -4.218 -10.543 4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.893 -9.984 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.931 -11.005 5.508 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.918 -8.261 5.989 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.338 -9.438 7.150 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.912 -7.153 6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.292 -8.393 7.235 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.929 -9.686 1.895 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.193 -9.147 0.572 1.00 0.00 C ATOM 1440 C VAL A 94 -6.691 -9.246 0.275 1.00 0.00 C ATOM 1441 O VAL A 94 -7.207 -10.334 0.024 1.00 0.00 O ATOM 1442 CB VAL A 94 -4.329 -9.864 -0.468 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -4.488 -9.225 -1.848 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -2.861 -9.885 -0.039 1.00 0.00 C ATOM 0 H VAL A 94 -4.631 -10.661 1.907 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.922 -8.092 0.529 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.673 -10.896 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.863 -9.754 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.531 -9.286 -2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.183 -8.179 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.268 -10.400 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.499 -8.863 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.768 -10.407 0.913 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.347 -8.095 0.314 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.775 -8.039 0.052 1.00 0.00 C ATOM 1456 C VAL A 95 -9.012 -8.015 -1.459 1.00 0.00 C ATOM 1457 O VAL A 95 -10.000 -8.562 -1.945 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.392 -6.839 0.773 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.151 -6.922 2.282 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -8.857 -5.523 0.204 1.00 0.00 C ATOM 0 H VAL A 95 -6.916 -7.195 0.523 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.270 -8.927 0.444 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.469 -6.864 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.600 -6.057 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.602 -7.834 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.079 -6.934 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.312 -4.686 0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.775 -5.486 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.103 -5.458 -0.856 1.00 0.00 H new ATOM 1470 N GLY A 96 -8.088 -7.374 -2.161 1.00 0.00 N ATOM 1471 CA GLY A 96 -8.184 -7.272 -3.607 1.00 0.00 C ATOM 1472 C GLY A 96 -6.809 -7.026 -4.231 1.00 0.00 C ATOM 1473 O GLY A 96 -5.783 -7.317 -3.617 1.00 0.00 O ATOM 0 H GLY A 96 -7.270 -6.920 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.613 -8.189 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.859 -6.459 -3.874 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.832 -6.494 -5.444 1.00 0.00 N ATOM 1478 CA ARG A 97 -5.600 -6.206 -6.159 1.00 0.00 C ATOM 1479 C ARG A 97 -5.679 -4.829 -6.821 1.00 0.00 C ATOM 1480 O ARG A 97 -6.752 -4.401 -7.244 1.00 0.00 O ATOM 1481 CB ARG A 97 -5.324 -7.264 -7.229 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.024 -8.015 -6.935 1.00 0.00 C ATOM 1483 CD ARG A 97 -2.883 -7.503 -7.817 1.00 0.00 C ATOM 1484 NE ARG A 97 -1.581 -7.774 -7.168 1.00 0.00 N ATOM 1485 CZ ARG A 97 -0.393 -7.492 -7.721 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -0.336 -6.929 -8.935 1.00 0.00 N ATOM 1487 NH2 ARG A 97 0.738 -7.773 -7.059 1.00 0.00 N ATOM 0 H ARG A 97 -7.685 -6.255 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.786 -6.218 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.154 -7.969 -7.271 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.260 -6.788 -8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.759 -7.893 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.170 -9.082 -7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.920 -7.988 -8.792 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.997 -6.433 -7.989 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.588 -8.202 -6.242 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.197 -6.715 -9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.568 -6.714 -9.356 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.695 -8.201 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.642 -7.558 -7.480 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.530 -4.174 -6.891 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.456 -2.854 -7.495 1.00 0.00 C ATOM 1503 C VAL A 98 -4.283 -3.000 -9.008 1.00 0.00 C ATOM 1504 O VAL A 98 -3.478 -3.807 -9.470 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.338 -2.041 -6.840 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -2.963 -0.833 -7.701 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.730 -1.607 -5.427 1.00 0.00 C ATOM 0 H VAL A 98 -3.642 -4.532 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.381 -2.303 -7.326 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.460 -2.682 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.166 -0.272 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.621 -1.175 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.835 -0.191 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.917 -1.031 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.629 -0.992 -5.472 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.924 -2.489 -4.816 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.051 -2.205 -9.739 1.00 0.00 N ATOM 1518 CA VAL A 99 -4.992 -2.235 -11.190 1.00 0.00 C ATOM 1519 C VAL A 99 -4.768 -0.815 -11.717 1.00 0.00 C ATOM 1520 O VAL A 99 -3.629 -0.391 -11.904 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.256 -2.888 -11.752 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.042 -4.385 -11.987 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.454 -2.644 -10.832 1.00 0.00 C ATOM 0 H VAL A 99 -5.717 -1.536 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.152 -2.843 -11.525 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.472 -2.425 -12.715 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.956 -4.825 -12.387 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.229 -4.529 -12.698 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.789 -4.869 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.340 -3.119 -11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.250 -3.067 -9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.627 -1.572 -10.737 1.00 0.00 H new ATOM 1533 N SER A 100 -5.874 -0.120 -11.940 1.00 0.00 N ATOM 1534 CA SER A 100 -5.813 1.242 -12.441 1.00 0.00 C ATOM 1535 C SER A 100 -5.548 2.212 -11.288 1.00 0.00 C ATOM 1536 O SER A 100 -5.325 3.401 -11.511 1.00 0.00 O ATOM 1537 CB SER A 100 -7.106 1.621 -13.167 1.00 0.00 C ATOM 1538 OG SER A 100 -6.908 1.765 -14.570 1.00 0.00 O ATOM 0 H SER A 100 -6.817 -0.475 -11.783 1.00 0.00 H new ATOM 0 HA SER A 100 -4.994 1.306 -13.157 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.862 0.857 -12.984 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.491 2.555 -12.758 1.00 0.00 H new ATOM 0 HG SER A 100 -7.757 2.005 -14.997 1.00 0.00 H new