USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 634 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 62 SER OG : rot -18:sc= -0.0633 USER MOD Set 1.2: A 64 LYS NZ :NH3+ -157:sc= -0.166 (180deg=-0.641) USER MOD Set 2.1: A 10 CYS SG : rot 26:sc= -2.1! USER MOD Set 2.2: A 56 CYS SG : rot -3:sc= 1.7 USER MOD Set 2.3: A 59 CYS SG : rot 69:sc= 1.57 USER MOD Set 3.1: A 19 SER OG : rot -120:sc= 0.386 USER MOD Set 3.2: A 37 ASN : amide:sc= 0.423 K(o=-4.1,f=-2.4) USER MOD Set 3.3: A 39 GLN : amide:sc= -5.31! C(o=-4.1!,f=-2.4!) USER MOD Set 3.4: A 57 THR OG1 : rot -27:sc= 0.389 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -171:sc= -0.0021 (180deg=-0.0857) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -2.64! USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.091 (180deg=-0.443) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 21:sc= 0.446 USER MOD Single : A 25 HIS : no HD1:sc= -0.0244 X(o=-0.024,f=-0.024) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= -0.0405 (180deg=-0.25) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -0.0666 (180deg=-0.496) USER MOD Single : A 30 SER OG : rot -32:sc= 0.492 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0063 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0323) USER MOD Single : A 53 MET CE :methyl 170:sc= -2.37! (180deg=-2.85!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 1.24 (180deg=1.1) USER MOD Single : A 66 LYS NZ :NH3+ 154:sc= -0.146 (180deg=-1.16) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.323) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00195 X(o=-0.0019,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -20.431 11.586 -17.812 1.00 0.00 N ATOM 2 CA GLN A 1 -19.961 12.875 -18.368 1.00 0.00 C ATOM 3 C GLN A 1 -19.607 13.846 -17.248 1.00 0.00 C ATOM 4 O GLN A 1 -20.489 14.419 -16.604 1.00 0.00 O ATOM 5 CB GLN A 1 -21.029 13.505 -19.267 1.00 0.00 C ATOM 6 CG GLN A 1 -21.360 12.685 -20.502 1.00 0.00 C ATOM 7 CD GLN A 1 -22.405 13.353 -21.372 1.00 0.00 C ATOM 8 OE1 GLN A 1 -23.607 13.140 -21.200 1.00 0.00 O ATOM 9 NE2 GLN A 1 -21.954 14.175 -22.305 1.00 0.00 N ATOM 0 H1 GLN A 1 -20.522 10.889 -18.579 1.00 0.00 H new ATOM 0 H2 GLN A 1 -19.746 11.241 -17.110 1.00 0.00 H new ATOM 0 H3 GLN A 1 -21.356 11.721 -17.356 1.00 0.00 H new ATOM 0 HA GLN A 1 -19.071 12.673 -18.964 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -21.939 13.650 -18.685 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -20.690 14.493 -19.580 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -20.452 12.527 -21.085 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -21.718 11.702 -20.197 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -20.951 14.322 -22.413 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -22.610 14.661 -22.916 1.00 0.00 H new ATOM 20 N GLY A 2 -18.313 14.007 -17.008 1.00 0.00 N ATOM 21 CA GLY A 2 -17.851 14.962 -16.023 1.00 0.00 C ATOM 22 C GLY A 2 -17.731 14.367 -14.635 1.00 0.00 C ATOM 23 O GLY A 2 -16.738 14.592 -13.942 1.00 0.00 O ATOM 0 H GLY A 2 -17.572 13.490 -17.481 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.881 15.353 -16.330 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.539 15.806 -15.992 1.00 0.00 H new ATOM 27 N HIS A 3 -18.731 13.602 -14.226 1.00 0.00 N ATOM 28 CA HIS A 3 -18.763 13.042 -12.885 1.00 0.00 C ATOM 29 C HIS A 3 -18.285 11.598 -12.898 1.00 0.00 C ATOM 30 O HIS A 3 -19.067 10.678 -13.144 1.00 0.00 O ATOM 31 CB HIS A 3 -20.178 13.115 -12.299 1.00 0.00 C ATOM 32 CG HIS A 3 -20.739 14.502 -12.253 1.00 0.00 C ATOM 33 ND1 HIS A 3 -21.714 14.950 -13.119 1.00 0.00 N ATOM 34 CD2 HIS A 3 -20.458 15.544 -11.437 1.00 0.00 C ATOM 35 CE1 HIS A 3 -21.996 16.209 -12.845 1.00 0.00 C ATOM 36 NE2 HIS A 3 -21.251 16.591 -11.828 1.00 0.00 N ATOM 0 H HIS A 3 -19.533 13.354 -14.806 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.094 13.631 -12.259 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.840 12.484 -12.892 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.165 12.704 -11.290 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.742 15.550 -10.628 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.716 16.823 -13.366 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -21.263 17.517 -11.400 1.00 0.00 H new ATOM 45 N MET A 4 -16.996 11.403 -12.645 1.00 0.00 N ATOM 46 CA MET A 4 -16.423 10.068 -12.609 1.00 0.00 C ATOM 47 C MET A 4 -16.371 9.557 -11.169 1.00 0.00 C ATOM 48 O MET A 4 -15.307 9.478 -10.552 1.00 0.00 O ATOM 49 CB MET A 4 -15.023 10.056 -13.240 1.00 0.00 C ATOM 50 CG MET A 4 -14.437 8.662 -13.391 1.00 0.00 C ATOM 51 SD MET A 4 -12.796 8.667 -14.146 1.00 0.00 S ATOM 52 CE MET A 4 -12.432 6.915 -14.169 1.00 0.00 C ATOM 0 H MET A 4 -16.330 12.154 -12.462 1.00 0.00 H new ATOM 0 HA MET A 4 -17.059 9.403 -13.193 1.00 0.00 H new ATOM 0 HB2 MET A 4 -15.071 10.529 -14.221 1.00 0.00 H new ATOM 0 HB3 MET A 4 -14.352 10.659 -12.628 1.00 0.00 H new ATOM 0 HG2 MET A 4 -14.379 8.190 -12.410 1.00 0.00 H new ATOM 0 HG3 MET A 4 -15.109 8.055 -13.998 1.00 0.00 H new ATOM 0 HE1 MET A 4 -11.448 6.754 -14.608 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.443 6.528 -13.150 1.00 0.00 H new ATOM 0 HE3 MET A 4 -13.184 6.395 -14.763 1.00 0.00 H new ATOM 62 N ILE A 5 -17.539 9.258 -10.623 1.00 0.00 N ATOM 63 CA ILE A 5 -17.634 8.726 -9.275 1.00 0.00 C ATOM 64 C ILE A 5 -17.794 7.212 -9.335 1.00 0.00 C ATOM 65 O ILE A 5 -18.889 6.699 -9.586 1.00 0.00 O ATOM 66 CB ILE A 5 -18.817 9.346 -8.494 1.00 0.00 C ATOM 67 CG1 ILE A 5 -18.700 10.875 -8.459 1.00 0.00 C ATOM 68 CG2 ILE A 5 -18.877 8.782 -7.080 1.00 0.00 C ATOM 69 CD1 ILE A 5 -17.441 11.381 -7.785 1.00 0.00 C ATOM 0 H ILE A 5 -18.436 9.375 -11.095 1.00 0.00 H new ATOM 0 HA ILE A 5 -16.716 8.985 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 5 -19.742 9.085 -9.009 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -18.731 11.255 -9.480 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -19.567 11.284 -7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -19.715 9.229 -6.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -19.010 7.701 -7.125 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -17.949 9.012 -6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -17.433 12.471 -7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -17.416 11.033 -6.752 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -16.567 11.004 -8.316 1.00 0.00 H new ATOM 81 N MET A 6 -16.695 6.501 -9.135 1.00 0.00 N ATOM 82 CA MET A 6 -16.697 5.052 -9.250 1.00 0.00 C ATOM 83 C MET A 6 -17.155 4.408 -7.949 1.00 0.00 C ATOM 84 O MET A 6 -16.877 4.917 -6.863 1.00 0.00 O ATOM 85 CB MET A 6 -15.301 4.546 -9.614 1.00 0.00 C ATOM 86 CG MET A 6 -15.291 3.628 -10.825 1.00 0.00 C ATOM 87 SD MET A 6 -16.403 2.222 -10.640 1.00 0.00 S ATOM 88 CE MET A 6 -16.191 1.419 -12.225 1.00 0.00 C ATOM 0 H MET A 6 -15.790 6.905 -8.892 1.00 0.00 H new ATOM 0 HA MET A 6 -17.394 4.776 -10.041 1.00 0.00 H new ATOM 0 HB2 MET A 6 -14.652 5.400 -9.809 1.00 0.00 H new ATOM 0 HB3 MET A 6 -14.881 4.014 -8.760 1.00 0.00 H new ATOM 0 HG2 MET A 6 -15.576 4.197 -11.710 1.00 0.00 H new ATOM 0 HG3 MET A 6 -14.277 3.265 -10.992 1.00 0.00 H new ATOM 0 HE1 MET A 6 -16.816 0.527 -12.268 1.00 0.00 H new ATOM 0 HE2 MET A 6 -16.481 2.104 -13.022 1.00 0.00 H new ATOM 0 HE3 MET A 6 -15.146 1.136 -12.353 1.00 0.00 H new ATOM 98 N ALA A 7 -17.850 3.289 -8.067 1.00 0.00 N ATOM 99 CA ALA A 7 -18.348 2.568 -6.903 1.00 0.00 C ATOM 100 C ALA A 7 -17.203 1.899 -6.156 1.00 0.00 C ATOM 101 O ALA A 7 -17.199 1.833 -4.928 1.00 0.00 O ATOM 102 CB ALA A 7 -19.390 1.544 -7.323 1.00 0.00 C ATOM 0 H ALA A 7 -18.084 2.857 -8.961 1.00 0.00 H new ATOM 0 HA ALA A 7 -18.820 3.282 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -19.753 1.013 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -20.223 2.051 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -18.942 0.833 -8.017 1.00 0.00 H new ATOM 108 N LYS A 8 -16.222 1.415 -6.901 1.00 0.00 N ATOM 109 CA LYS A 8 -15.054 0.785 -6.303 1.00 0.00 C ATOM 110 C LYS A 8 -13.854 1.729 -6.347 1.00 0.00 C ATOM 111 O LYS A 8 -12.769 1.363 -6.791 1.00 0.00 O ATOM 112 CB LYS A 8 -14.728 -0.551 -6.992 1.00 0.00 C ATOM 113 CG LYS A 8 -14.672 -0.488 -8.514 1.00 0.00 C ATOM 114 CD LYS A 8 -15.999 -0.874 -9.155 1.00 0.00 C ATOM 115 CE LYS A 8 -16.334 -2.338 -8.915 1.00 0.00 C ATOM 116 NZ LYS A 8 -17.541 -2.762 -9.675 1.00 0.00 N ATOM 0 H LYS A 8 -16.211 1.446 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.283 0.571 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.768 -0.910 -6.622 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.477 -1.287 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.400 0.521 -8.824 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.889 -1.154 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.794 -0.248 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.955 -0.682 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.485 -2.957 -9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.499 -2.503 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.736 -3.766 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.357 -2.189 -9.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.375 -2.629 -10.693 1.00 0.00 H new ATOM 130 N ARG A 9 -14.067 2.951 -5.883 1.00 0.00 N ATOM 131 CA ARG A 9 -13.012 3.946 -5.821 1.00 0.00 C ATOM 132 C ARG A 9 -12.130 3.725 -4.589 1.00 0.00 C ATOM 133 O ARG A 9 -12.570 3.141 -3.593 1.00 0.00 O ATOM 134 CB ARG A 9 -13.628 5.353 -5.796 1.00 0.00 C ATOM 135 CG ARG A 9 -14.271 5.753 -4.465 1.00 0.00 C ATOM 136 CD ARG A 9 -15.357 4.785 -4.008 1.00 0.00 C ATOM 137 NE ARG A 9 -15.931 5.164 -2.721 1.00 0.00 N ATOM 138 CZ ARG A 9 -15.506 4.691 -1.546 1.00 0.00 C ATOM 139 NH1 ARG A 9 -14.461 3.868 -1.487 1.00 0.00 N ATOM 140 NH2 ARG A 9 -16.112 5.051 -0.425 1.00 0.00 N ATOM 0 H ARG A 9 -14.971 3.278 -5.541 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.384 3.848 -6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.851 6.078 -6.040 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.382 5.418 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.498 5.810 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.699 6.751 -4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.147 4.748 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.939 3.781 -3.935 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.703 5.830 -2.718 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.979 3.594 -2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.143 3.511 -0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.906 5.691 -0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.785 4.688 0.471 1.00 0.00 H new ATOM 154 N CYS A 10 -10.885 4.196 -4.663 1.00 0.00 N ATOM 155 CA CYS A 10 -9.944 4.088 -3.549 1.00 0.00 C ATOM 156 C CYS A 10 -10.478 4.822 -2.322 1.00 0.00 C ATOM 157 O CYS A 10 -11.112 5.870 -2.446 1.00 0.00 O ATOM 158 CB CYS A 10 -8.582 4.668 -3.942 1.00 0.00 C ATOM 159 SG CYS A 10 -7.314 4.524 -2.659 1.00 0.00 S ATOM 0 H CYS A 10 -10.504 4.659 -5.488 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.826 3.032 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.231 4.163 -4.842 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.708 5.721 -4.196 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.592 3.517 -1.885 1.00 0.00 H new ATOM 165 N GLU A 11 -10.205 4.282 -1.141 1.00 0.00 N ATOM 166 CA GLU A 11 -10.695 4.877 0.100 1.00 0.00 C ATOM 167 C GLU A 11 -9.766 5.994 0.574 1.00 0.00 C ATOM 168 O GLU A 11 -10.086 6.730 1.503 1.00 0.00 O ATOM 169 CB GLU A 11 -10.828 3.809 1.190 1.00 0.00 C ATOM 170 CG GLU A 11 -11.698 2.630 0.782 1.00 0.00 C ATOM 171 CD GLU A 11 -11.986 1.678 1.925 1.00 0.00 C ATOM 172 OE1 GLU A 11 -11.130 0.815 2.217 1.00 0.00 O ATOM 173 OE2 GLU A 11 -13.085 1.768 2.516 1.00 0.00 O ATOM 0 H GLU A 11 -9.649 3.436 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.678 5.306 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.835 3.444 1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.247 4.266 2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.641 3.003 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.205 2.084 -0.022 1.00 0.00 H new ATOM 180 N VAL A 12 -8.619 6.117 -0.078 1.00 0.00 N ATOM 181 CA VAL A 12 -7.624 7.109 0.310 1.00 0.00 C ATOM 182 C VAL A 12 -7.686 8.335 -0.594 1.00 0.00 C ATOM 183 O VAL A 12 -7.952 9.447 -0.135 1.00 0.00 O ATOM 184 CB VAL A 12 -6.204 6.513 0.255 1.00 0.00 C ATOM 185 CG1 VAL A 12 -5.159 7.543 0.671 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.107 5.277 1.140 1.00 0.00 C ATOM 0 H VAL A 12 -8.353 5.543 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.851 7.410 1.333 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.004 6.222 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.167 7.095 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.204 8.399 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.359 7.873 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.097 4.871 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.336 5.548 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.818 4.526 0.796 1.00 0.00 H new ATOM 196 N CYS A 13 -7.431 8.126 -1.878 1.00 0.00 N ATOM 197 CA CYS A 13 -7.415 9.217 -2.842 1.00 0.00 C ATOM 198 C CYS A 13 -8.797 9.411 -3.466 1.00 0.00 C ATOM 199 O CYS A 13 -9.306 10.527 -3.546 1.00 0.00 O ATOM 200 CB CYS A 13 -6.372 8.934 -3.926 1.00 0.00 C ATOM 201 SG CYS A 13 -6.270 10.185 -5.229 1.00 0.00 S ATOM 0 H CYS A 13 -7.232 7.209 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.148 10.138 -2.324 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.394 8.842 -3.454 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.597 7.971 -4.384 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.356 9.844 -6.088 1.00 0.00 H new ATOM 207 N GLY A 14 -9.402 8.315 -3.897 1.00 0.00 N ATOM 208 CA GLY A 14 -10.709 8.392 -4.519 1.00 0.00 C ATOM 209 C GLY A 14 -10.663 8.048 -5.993 1.00 0.00 C ATOM 210 O GLY A 14 -11.700 7.886 -6.635 1.00 0.00 O ATOM 0 H GLY A 14 -9.013 7.375 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.392 7.712 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.110 9.398 -4.395 1.00 0.00 H new ATOM 214 N LYS A 15 -9.458 7.936 -6.537 1.00 0.00 N ATOM 215 CA LYS A 15 -9.293 7.580 -7.941 1.00 0.00 C ATOM 216 C LYS A 15 -9.510 6.083 -8.135 1.00 0.00 C ATOM 217 O LYS A 15 -9.474 5.311 -7.170 1.00 0.00 O ATOM 218 CB LYS A 15 -7.910 7.997 -8.452 1.00 0.00 C ATOM 219 CG LYS A 15 -7.626 9.479 -8.271 1.00 0.00 C ATOM 220 CD LYS A 15 -6.313 9.889 -8.915 1.00 0.00 C ATOM 221 CE LYS A 15 -6.422 9.933 -10.432 1.00 0.00 C ATOM 222 NZ LYS A 15 -7.409 10.946 -10.892 1.00 0.00 N ATOM 0 H LYS A 15 -8.585 8.085 -6.031 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.042 8.118 -8.522 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.147 7.421 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.829 7.745 -9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.440 10.060 -8.705 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.598 9.716 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.015 10.869 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.531 9.187 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.445 10.159 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.712 8.950 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.220 11.188 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.370 10.558 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.328 11.801 -10.306 1.00 0.00 H new ATOM 236 N ALA A 16 -9.742 5.678 -9.376 1.00 0.00 N ATOM 237 CA ALA A 16 -10.042 4.288 -9.687 1.00 0.00 C ATOM 238 C ALA A 16 -8.785 3.422 -9.639 1.00 0.00 C ATOM 239 O ALA A 16 -7.691 3.869 -9.999 1.00 0.00 O ATOM 240 CB ALA A 16 -10.705 4.191 -11.054 1.00 0.00 C ATOM 0 H ALA A 16 -9.728 6.296 -10.187 1.00 0.00 H new ATOM 0 HA ALA A 16 -10.730 3.912 -8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.926 3.147 -11.278 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.631 4.765 -11.051 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.033 4.591 -11.813 1.00 0.00 H new ATOM 246 N PRO A 17 -8.926 2.171 -9.179 1.00 0.00 N ATOM 247 CA PRO A 17 -7.831 1.216 -9.121 1.00 0.00 C ATOM 248 C PRO A 17 -7.710 0.397 -10.408 1.00 0.00 C ATOM 249 O PRO A 17 -8.400 -0.607 -10.593 1.00 0.00 O ATOM 250 CB PRO A 17 -8.231 0.338 -7.938 1.00 0.00 C ATOM 251 CG PRO A 17 -9.726 0.316 -7.972 1.00 0.00 C ATOM 252 CD PRO A 17 -10.172 1.588 -8.656 1.00 0.00 C ATOM 0 HA PRO A 17 -6.855 1.689 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.818 -0.666 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.862 0.748 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.086 -0.559 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.134 0.258 -6.963 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.882 1.382 -9.457 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.666 2.264 -7.958 1.00 0.00 H new ATOM 260 N ARG A 18 -6.848 0.854 -11.308 1.00 0.00 N ATOM 261 CA ARG A 18 -6.645 0.176 -12.583 1.00 0.00 C ATOM 262 C ARG A 18 -5.767 -1.063 -12.401 1.00 0.00 C ATOM 263 O ARG A 18 -5.886 -2.040 -13.149 1.00 0.00 O ATOM 264 CB ARG A 18 -5.991 1.127 -13.594 1.00 0.00 C ATOM 265 CG ARG A 18 -4.581 1.551 -13.204 1.00 0.00 C ATOM 266 CD ARG A 18 -3.956 2.476 -14.232 1.00 0.00 C ATOM 267 NE ARG A 18 -2.566 2.788 -13.895 1.00 0.00 N ATOM 268 CZ ARG A 18 -2.105 4.016 -13.668 1.00 0.00 C ATOM 269 NH1 ARG A 18 -2.908 5.068 -13.770 1.00 0.00 N ATOM 270 NH2 ARG A 18 -0.833 4.194 -13.346 1.00 0.00 N ATOM 0 H ARG A 18 -6.279 1.690 -11.179 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.619 -0.135 -12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.959 0.642 -14.570 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.613 2.016 -13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.609 2.052 -12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.956 0.665 -13.087 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.997 2.009 -15.216 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.533 3.399 -14.292 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.907 2.013 -13.830 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.887 4.939 -14.024 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.546 6.005 -13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.208 3.391 -13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.478 5.134 -13.172 1.00 0.00 H new ATOM 284 N SER A 19 -4.898 -1.007 -11.391 1.00 0.00 N ATOM 285 CA SER A 19 -3.911 -2.055 -11.149 1.00 0.00 C ATOM 286 C SER A 19 -3.026 -2.234 -12.386 1.00 0.00 C ATOM 287 O SER A 19 -2.861 -1.303 -13.175 1.00 0.00 O ATOM 288 CB SER A 19 -4.619 -3.363 -10.782 1.00 0.00 C ATOM 289 OG SER A 19 -5.558 -3.151 -9.740 1.00 0.00 O ATOM 0 H SER A 19 -4.860 -0.238 -10.722 1.00 0.00 H new ATOM 0 HA SER A 19 -3.273 -1.767 -10.313 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.126 -3.766 -11.659 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.884 -4.105 -10.470 1.00 0.00 H new ATOM 0 HG SER A 19 -5.321 -3.706 -8.968 1.00 0.00 H new ATOM 295 N GLY A 20 -2.444 -3.414 -12.544 1.00 0.00 N ATOM 296 CA GLY A 20 -1.652 -3.692 -13.723 1.00 0.00 C ATOM 297 C GLY A 20 -2.380 -4.609 -14.683 1.00 0.00 C ATOM 298 O GLY A 20 -1.754 -5.270 -15.507 1.00 0.00 O ATOM 0 H GLY A 20 -2.506 -4.183 -11.877 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.409 -2.757 -14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.708 -4.150 -13.428 1.00 0.00 H new ATOM 302 N ASN A 21 -3.710 -4.626 -14.577 1.00 0.00 N ATOM 303 CA ASN A 21 -4.551 -5.546 -15.346 1.00 0.00 C ATOM 304 C ASN A 21 -4.192 -6.993 -15.026 1.00 0.00 C ATOM 305 O ASN A 21 -3.761 -7.747 -15.900 1.00 0.00 O ATOM 306 CB ASN A 21 -4.448 -5.286 -16.854 1.00 0.00 C ATOM 307 CG ASN A 21 -5.188 -4.031 -17.283 1.00 0.00 C ATOM 308 OD1 ASN A 21 -4.634 -2.931 -17.274 1.00 0.00 O ATOM 309 ND2 ASN A 21 -6.445 -4.188 -17.667 1.00 0.00 N ATOM 0 H ASN A 21 -4.233 -4.006 -13.959 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.586 -5.367 -15.053 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.398 -5.197 -17.133 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.850 -6.143 -17.395 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.990 -3.381 -17.970 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.868 -5.116 -17.660 1.00 0.00 H new ATOM 316 N THR A 22 -4.378 -7.354 -13.755 1.00 0.00 N ATOM 317 CA THR A 22 -4.062 -8.689 -13.250 1.00 0.00 C ATOM 318 C THR A 22 -2.549 -8.875 -13.088 1.00 0.00 C ATOM 319 O THR A 22 -1.759 -8.330 -13.854 1.00 0.00 O ATOM 320 CB THR A 22 -4.644 -9.798 -14.157 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.030 -9.528 -14.423 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.517 -11.166 -13.500 1.00 0.00 C ATOM 0 H THR A 22 -4.754 -6.725 -13.045 1.00 0.00 H new ATOM 0 HA THR A 22 -4.530 -8.778 -12.270 1.00 0.00 H new ATOM 0 HB THR A 22 -4.079 -9.806 -15.089 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.396 -10.231 -14.999 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.934 -11.927 -14.160 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.465 -11.384 -13.314 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.060 -11.168 -12.555 1.00 0.00 H new ATOM 330 N VAL A 23 -2.156 -9.624 -12.065 1.00 0.00 N ATOM 331 CA VAL A 23 -0.743 -9.859 -11.786 1.00 0.00 C ATOM 332 C VAL A 23 -0.338 -11.273 -12.184 1.00 0.00 C ATOM 333 O VAL A 23 -1.194 -12.107 -12.498 1.00 0.00 O ATOM 334 CB VAL A 23 -0.411 -9.634 -10.294 1.00 0.00 C ATOM 335 CG1 VAL A 23 -0.614 -8.174 -9.914 1.00 0.00 C ATOM 336 CG2 VAL A 23 -1.259 -10.538 -9.409 1.00 0.00 C ATOM 0 H VAL A 23 -2.796 -10.080 -11.414 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.179 -9.140 -12.380 1.00 0.00 H new ATOM 0 HB VAL A 23 0.637 -9.889 -10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.375 -8.036 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.040 -7.546 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.652 -7.893 -10.091 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.008 -10.362 -8.363 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.314 -10.319 -9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.062 -11.580 -9.659 1.00 0.00 H new ATOM 346 N SER A 24 0.966 -11.535 -12.158 1.00 0.00 N ATOM 347 CA SER A 24 1.511 -12.837 -12.522 1.00 0.00 C ATOM 348 C SER A 24 1.252 -13.127 -14.007 1.00 0.00 C ATOM 349 O SER A 24 1.049 -12.209 -14.809 1.00 0.00 O ATOM 350 CB SER A 24 0.915 -13.939 -11.622 1.00 0.00 C ATOM 351 OG SER A 24 1.605 -15.171 -11.776 1.00 0.00 O ATOM 0 H SER A 24 1.672 -10.852 -11.884 1.00 0.00 H new ATOM 0 HA SER A 24 2.590 -12.825 -12.366 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.962 -13.623 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.138 -14.078 -11.866 1.00 0.00 H new ATOM 0 HG SER A 24 2.496 -15.003 -12.148 1.00 0.00 H new ATOM 357 N HIS A 25 1.282 -14.399 -14.376 1.00 0.00 N ATOM 358 CA HIS A 25 1.080 -14.797 -15.762 1.00 0.00 C ATOM 359 C HIS A 25 -0.379 -15.178 -16.006 1.00 0.00 C ATOM 360 O HIS A 25 -0.812 -15.323 -17.148 1.00 0.00 O ATOM 361 CB HIS A 25 2.009 -15.965 -16.113 1.00 0.00 C ATOM 362 CG HIS A 25 1.977 -16.358 -17.562 1.00 0.00 C ATOM 363 ND1 HIS A 25 2.691 -15.700 -18.538 1.00 0.00 N ATOM 364 CD2 HIS A 25 1.312 -17.351 -18.196 1.00 0.00 C ATOM 365 CE1 HIS A 25 2.465 -16.267 -19.705 1.00 0.00 C ATOM 366 NE2 HIS A 25 1.633 -17.274 -19.527 1.00 0.00 N ATOM 0 H HIS A 25 1.445 -15.175 -13.734 1.00 0.00 H new ATOM 0 HA HIS A 25 1.321 -13.952 -16.407 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.030 -15.697 -15.842 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.735 -16.829 -15.507 1.00 0.00 H new ATOM 0 HD2 HIS A 25 0.650 -18.071 -17.738 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.890 -15.959 -20.649 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.285 -17.894 -20.259 1.00 0.00 H new ATOM 375 N SER A 26 -1.134 -15.340 -14.932 1.00 0.00 N ATOM 376 CA SER A 26 -2.530 -15.732 -15.041 1.00 0.00 C ATOM 377 C SER A 26 -3.381 -15.016 -14.000 1.00 0.00 C ATOM 378 O SER A 26 -4.206 -14.168 -14.340 1.00 0.00 O ATOM 379 CB SER A 26 -2.655 -17.249 -14.893 1.00 0.00 C ATOM 380 OG SER A 26 -1.807 -17.729 -13.858 1.00 0.00 O ATOM 0 H SER A 26 -0.805 -15.206 -13.976 1.00 0.00 H new ATOM 0 HA SER A 26 -2.898 -15.442 -16.025 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.689 -17.513 -14.673 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.396 -17.733 -15.835 1.00 0.00 H new ATOM 0 HG SER A 26 -1.904 -18.701 -13.780 1.00 0.00 H new ATOM 386 N ASP A 27 -3.180 -15.364 -12.735 1.00 0.00 N ATOM 387 CA ASP A 27 -3.895 -14.729 -11.634 1.00 0.00 C ATOM 388 C ASP A 27 -3.275 -15.120 -10.297 1.00 0.00 C ATOM 389 O ASP A 27 -2.816 -14.253 -9.549 1.00 0.00 O ATOM 390 CB ASP A 27 -5.401 -15.076 -11.663 1.00 0.00 C ATOM 391 CG ASP A 27 -5.690 -16.566 -11.575 1.00 0.00 C ATOM 392 OD1 ASP A 27 -5.529 -17.272 -12.591 1.00 0.00 O ATOM 393 OD2 ASP A 27 -6.084 -17.039 -10.485 1.00 0.00 O ATOM 0 H ASP A 27 -2.523 -16.088 -12.444 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.804 -13.650 -11.755 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.897 -14.570 -10.835 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.837 -14.685 -12.582 1.00 0.00 H new ATOM 398 N LYS A 28 -3.242 -16.427 -10.019 1.00 0.00 N ATOM 399 CA LYS A 28 -2.704 -16.974 -8.770 1.00 0.00 C ATOM 400 C LYS A 28 -3.564 -16.570 -7.570 1.00 0.00 C ATOM 401 O LYS A 28 -4.266 -17.400 -6.994 1.00 0.00 O ATOM 402 CB LYS A 28 -1.243 -16.552 -8.556 1.00 0.00 C ATOM 403 CG LYS A 28 -0.632 -17.103 -7.277 1.00 0.00 C ATOM 404 CD LYS A 28 0.832 -16.718 -7.139 1.00 0.00 C ATOM 405 CE LYS A 28 1.688 -17.363 -8.219 1.00 0.00 C ATOM 406 NZ LYS A 28 1.659 -18.848 -8.143 1.00 0.00 N ATOM 0 H LYS A 28 -3.591 -17.140 -10.659 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.731 -18.060 -8.855 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.649 -16.886 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.187 -15.464 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.189 -16.729 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.725 -18.189 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.930 -15.634 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.197 -17.020 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.335 -17.044 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.716 -17.015 -8.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.424 -19.241 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.789 -19.148 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.743 -19.196 -8.492 1.00 0.00 H new ATOM 420 N LYS A 29 -3.515 -15.297 -7.200 1.00 0.00 N ATOM 421 CA LYS A 29 -4.277 -14.793 -6.068 1.00 0.00 C ATOM 422 C LYS A 29 -4.987 -13.492 -6.419 1.00 0.00 C ATOM 423 O LYS A 29 -6.189 -13.357 -6.194 1.00 0.00 O ATOM 424 CB LYS A 29 -3.366 -14.557 -4.862 1.00 0.00 C ATOM 425 CG LYS A 29 -2.865 -15.828 -4.199 1.00 0.00 C ATOM 426 CD LYS A 29 -4.017 -16.693 -3.717 1.00 0.00 C ATOM 427 CE LYS A 29 -3.573 -17.650 -2.625 1.00 0.00 C ATOM 428 NZ LYS A 29 -3.192 -16.926 -1.381 1.00 0.00 N ATOM 0 H LYS A 29 -2.951 -14.591 -7.672 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.022 -15.548 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.508 -13.965 -5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.906 -13.965 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.255 -16.392 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.223 -15.572 -3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.819 -16.057 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.424 -17.259 -4.555 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.378 -18.351 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.726 -18.238 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.305 -17.558 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.200 -16.619 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.804 -16.094 -1.262 1.00 0.00 H new ATOM 442 N SER A 30 -4.211 -12.537 -6.944 1.00 0.00 N ATOM 443 CA SER A 30 -4.700 -11.195 -7.283 1.00 0.00 C ATOM 444 C SER A 30 -4.955 -10.372 -6.019 1.00 0.00 C ATOM 445 O SER A 30 -5.310 -9.198 -6.099 1.00 0.00 O ATOM 446 CB SER A 30 -5.966 -11.268 -8.153 1.00 0.00 C ATOM 447 OG SER A 30 -6.407 -9.975 -8.544 1.00 0.00 O ATOM 0 H SER A 30 -3.221 -12.674 -7.147 1.00 0.00 H new ATOM 0 HA SER A 30 -3.925 -10.695 -7.863 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.764 -11.868 -9.040 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.759 -11.772 -7.601 1.00 0.00 H new ATOM 0 HG SER A 30 -6.190 -9.329 -7.840 1.00 0.00 H new ATOM 453 N GLU A 31 -4.735 -11.004 -4.864 1.00 0.00 N ATOM 454 CA GLU A 31 -4.926 -10.384 -3.552 1.00 0.00 C ATOM 455 C GLU A 31 -6.375 -9.957 -3.324 1.00 0.00 C ATOM 456 O GLU A 31 -6.820 -8.930 -3.831 1.00 0.00 O ATOM 457 CB GLU A 31 -3.975 -9.199 -3.350 1.00 0.00 C ATOM 458 CG GLU A 31 -2.516 -9.610 -3.252 1.00 0.00 C ATOM 459 CD GLU A 31 -2.294 -10.719 -2.241 1.00 0.00 C ATOM 460 OE1 GLU A 31 -2.486 -10.480 -1.031 1.00 0.00 O ATOM 461 OE2 GLU A 31 -1.928 -11.841 -2.651 1.00 0.00 O ATOM 0 H GLU A 31 -4.416 -11.971 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.687 -11.144 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.094 -8.501 -4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.257 -8.666 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.168 -9.939 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.915 -8.744 -2.975 1.00 0.00 H new ATOM 468 N ARG A 32 -7.088 -10.769 -2.538 1.00 0.00 N ATOM 469 CA ARG A 32 -8.492 -10.525 -2.190 1.00 0.00 C ATOM 470 C ARG A 32 -9.418 -10.801 -3.375 1.00 0.00 C ATOM 471 O ARG A 32 -9.111 -10.475 -4.518 1.00 0.00 O ATOM 472 CB ARG A 32 -8.715 -9.091 -1.680 1.00 0.00 C ATOM 473 CG ARG A 32 -7.932 -8.726 -0.422 1.00 0.00 C ATOM 474 CD ARG A 32 -8.413 -9.495 0.799 1.00 0.00 C ATOM 475 NE ARG A 32 -7.963 -10.889 0.800 1.00 0.00 N ATOM 476 CZ ARG A 32 -8.643 -11.895 1.355 1.00 0.00 C ATOM 477 NH1 ARG A 32 -9.807 -11.663 1.961 1.00 0.00 N ATOM 478 NH2 ARG A 32 -8.155 -13.129 1.314 1.00 0.00 N ATOM 0 H ARG A 32 -6.706 -11.619 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.736 -11.218 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.446 -8.393 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.778 -8.953 -1.481 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.873 -8.930 -0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.026 -7.656 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.052 -9.000 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.502 -9.469 0.835 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.074 -11.105 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.181 -10.715 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.324 -12.434 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.260 -13.309 0.858 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.675 -13.897 1.738 1.00 0.00 H new ATOM 492 N TRP A 33 -10.543 -11.439 -3.096 1.00 0.00 N ATOM 493 CA TRP A 33 -11.568 -11.642 -4.101 1.00 0.00 C ATOM 494 C TRP A 33 -12.537 -10.467 -4.064 1.00 0.00 C ATOM 495 O TRP A 33 -13.156 -10.107 -5.065 1.00 0.00 O ATOM 496 CB TRP A 33 -12.308 -12.959 -3.848 1.00 0.00 C ATOM 497 CG TRP A 33 -13.193 -13.376 -4.977 1.00 0.00 C ATOM 498 CD1 TRP A 33 -14.495 -13.021 -5.173 1.00 0.00 C ATOM 499 CD2 TRP A 33 -12.842 -14.230 -6.072 1.00 0.00 C ATOM 500 NE1 TRP A 33 -14.974 -13.594 -6.324 1.00 0.00 N ATOM 501 CE2 TRP A 33 -13.979 -14.343 -6.893 1.00 0.00 C ATOM 502 CE3 TRP A 33 -11.675 -14.906 -6.437 1.00 0.00 C ATOM 503 CZ2 TRP A 33 -13.984 -15.104 -8.059 1.00 0.00 C ATOM 504 CZ3 TRP A 33 -11.681 -15.662 -7.594 1.00 0.00 C ATOM 505 CH2 TRP A 33 -12.829 -15.758 -8.392 1.00 0.00 C ATOM 0 H TRP A 33 -10.768 -11.825 -2.179 1.00 0.00 H new ATOM 0 HA TRP A 33 -11.107 -11.699 -5.087 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -11.577 -13.746 -3.661 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -12.909 -12.860 -2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -15.067 -12.381 -4.517 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -15.917 -13.481 -6.695 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -10.786 -14.839 -5.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -14.866 -15.175 -8.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -10.785 -16.188 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -12.802 -16.360 -9.288 1.00 0.00 H new ATOM 516 N PHE A 34 -12.654 -9.870 -2.885 1.00 0.00 N ATOM 517 CA PHE A 34 -13.500 -8.704 -2.696 1.00 0.00 C ATOM 518 C PHE A 34 -12.725 -7.448 -3.070 1.00 0.00 C ATOM 519 O PHE A 34 -11.854 -7.005 -2.318 1.00 0.00 O ATOM 520 CB PHE A 34 -13.975 -8.613 -1.244 1.00 0.00 C ATOM 521 CG PHE A 34 -14.704 -9.839 -0.765 1.00 0.00 C ATOM 522 CD1 PHE A 34 -16.050 -10.012 -1.036 1.00 0.00 C ATOM 523 CD2 PHE A 34 -14.039 -10.819 -0.043 1.00 0.00 C ATOM 524 CE1 PHE A 34 -16.721 -11.138 -0.596 1.00 0.00 C ATOM 525 CE2 PHE A 34 -14.703 -11.945 0.400 1.00 0.00 C ATOM 526 CZ PHE A 34 -16.046 -12.107 0.123 1.00 0.00 C ATOM 0 H PHE A 34 -12.170 -10.178 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.376 -8.796 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.113 -8.440 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -14.630 -7.748 -1.139 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.582 -9.259 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.988 -10.699 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.772 -11.261 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.173 -12.699 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.568 -12.988 0.467 1.00 0.00 H new ATOM 536 N ARG A 35 -13.047 -6.891 -4.235 1.00 0.00 N ATOM 537 CA ARG A 35 -12.326 -5.742 -4.788 1.00 0.00 C ATOM 538 C ARG A 35 -10.855 -6.095 -5.030 1.00 0.00 C ATOM 539 O ARG A 35 -9.969 -5.587 -4.346 1.00 0.00 O ATOM 540 CB ARG A 35 -12.422 -4.516 -3.862 1.00 0.00 C ATOM 541 CG ARG A 35 -13.842 -4.070 -3.543 1.00 0.00 C ATOM 542 CD ARG A 35 -14.627 -3.732 -4.796 1.00 0.00 C ATOM 543 NE ARG A 35 -15.881 -3.052 -4.482 1.00 0.00 N ATOM 544 CZ ARG A 35 -17.084 -3.482 -4.856 1.00 0.00 C ATOM 545 NH1 ARG A 35 -17.224 -4.649 -5.469 1.00 0.00 N ATOM 546 NH2 ARG A 35 -18.151 -2.746 -4.590 1.00 0.00 N ATOM 0 H ARG A 35 -13.813 -7.221 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.796 -5.489 -5.739 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.908 -4.742 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.890 -3.685 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.356 -4.860 -2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -13.810 -3.198 -2.889 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.022 -3.098 -5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.838 -4.646 -5.351 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.832 -2.190 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.405 -5.227 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.150 -4.969 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.048 -1.856 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -19.076 -3.068 -4.873 1.00 0.00 H new ATOM 560 N PRO A 36 -10.578 -6.958 -6.027 1.00 0.00 N ATOM 561 CA PRO A 36 -9.222 -7.458 -6.309 1.00 0.00 C ATOM 562 C PRO A 36 -8.320 -6.399 -6.939 1.00 0.00 C ATOM 563 O PRO A 36 -7.196 -6.686 -7.352 1.00 0.00 O ATOM 564 CB PRO A 36 -9.450 -8.616 -7.294 1.00 0.00 C ATOM 565 CG PRO A 36 -10.928 -8.836 -7.329 1.00 0.00 C ATOM 566 CD PRO A 36 -11.557 -7.528 -6.958 1.00 0.00 C ATOM 0 HA PRO A 36 -8.713 -7.756 -5.392 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.068 -8.368 -8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.928 -9.516 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.250 -9.155 -8.320 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.221 -9.620 -6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.709 -6.889 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.531 -7.665 -6.489 1.00 0.00 H new ATOM 574 N ASN A 37 -8.828 -5.180 -7.038 1.00 0.00 N ATOM 575 CA ASN A 37 -8.057 -4.075 -7.590 1.00 0.00 C ATOM 576 C ASN A 37 -7.688 -3.081 -6.499 1.00 0.00 C ATOM 577 O ASN A 37 -6.879 -2.175 -6.714 1.00 0.00 O ATOM 578 CB ASN A 37 -8.845 -3.366 -8.695 1.00 0.00 C ATOM 579 CG ASN A 37 -9.044 -4.234 -9.920 1.00 0.00 C ATOM 580 OD1 ASN A 37 -10.031 -4.968 -10.027 1.00 0.00 O ATOM 581 ND2 ASN A 37 -8.109 -4.162 -10.852 1.00 0.00 N ATOM 0 H ASN A 37 -9.772 -4.930 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.141 -4.483 -8.018 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.818 -3.065 -8.306 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.321 -2.454 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.188 -4.726 -11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.309 -3.542 -10.725 1.00 0.00 H new ATOM 588 N LEU A 38 -8.281 -3.259 -5.330 1.00 0.00 N ATOM 589 CA LEU A 38 -8.055 -2.359 -4.212 1.00 0.00 C ATOM 590 C LEU A 38 -7.475 -3.107 -3.032 1.00 0.00 C ATOM 591 O LEU A 38 -8.198 -3.755 -2.276 1.00 0.00 O ATOM 592 CB LEU A 38 -9.354 -1.678 -3.792 1.00 0.00 C ATOM 593 CG LEU A 38 -9.748 -0.470 -4.628 1.00 0.00 C ATOM 594 CD1 LEU A 38 -11.196 -0.091 -4.368 1.00 0.00 C ATOM 595 CD2 LEU A 38 -8.839 0.707 -4.321 1.00 0.00 C ATOM 0 H LEU A 38 -8.926 -4.023 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.345 -1.599 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.161 -2.410 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.263 -1.366 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.639 -0.733 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.460 0.775 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.844 -0.928 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.325 0.152 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.135 1.563 -4.928 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.922 0.965 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.807 0.439 -4.550 1.00 0.00 H new ATOM 607 N GLN A 39 -6.173 -3.008 -2.865 1.00 0.00 N ATOM 608 CA GLN A 39 -5.517 -3.693 -1.768 1.00 0.00 C ATOM 609 C GLN A 39 -5.481 -2.798 -0.539 1.00 0.00 C ATOM 610 O GLN A 39 -4.984 -1.672 -0.578 1.00 0.00 O ATOM 611 CB GLN A 39 -4.099 -4.166 -2.135 1.00 0.00 C ATOM 612 CG GLN A 39 -3.614 -3.758 -3.520 1.00 0.00 C ATOM 613 CD GLN A 39 -3.327 -2.275 -3.634 1.00 0.00 C ATOM 614 OE1 GLN A 39 -3.425 -1.692 -4.713 1.00 0.00 O ATOM 615 NE2 GLN A 39 -2.982 -1.651 -2.515 1.00 0.00 N ATOM 0 H GLN A 39 -5.552 -2.466 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.101 -4.586 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.401 -3.776 -1.394 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.066 -5.253 -2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.710 -4.317 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.367 -4.035 -4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.912 -2.172 -1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.786 -0.650 -2.529 1.00 0.00 H new ATOM 624 N LYS A 40 -6.036 -3.299 0.547 1.00 0.00 N ATOM 625 CA LYS A 40 -6.089 -2.555 1.792 1.00 0.00 C ATOM 626 C LYS A 40 -4.710 -2.484 2.439 1.00 0.00 C ATOM 627 O LYS A 40 -4.082 -3.506 2.716 1.00 0.00 O ATOM 628 CB LYS A 40 -7.101 -3.193 2.742 1.00 0.00 C ATOM 629 CG LYS A 40 -6.912 -4.692 2.915 1.00 0.00 C ATOM 630 CD LYS A 40 -7.968 -5.283 3.835 1.00 0.00 C ATOM 631 CE LYS A 40 -7.915 -4.663 5.220 1.00 0.00 C ATOM 632 NZ LYS A 40 -9.114 -5.009 6.023 1.00 0.00 N ATOM 0 H LYS A 40 -6.460 -4.226 0.593 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.410 -1.536 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.026 -2.711 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.107 -3.003 2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.961 -5.181 1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.921 -4.890 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.956 -5.126 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.822 -6.360 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.019 -5.005 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.837 -3.579 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.042 -4.568 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.967 -4.660 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.174 -6.042 6.129 1.00 0.00 H new ATOM 646 N VAL A 41 -4.241 -1.270 2.669 1.00 0.00 N ATOM 647 CA VAL A 41 -2.944 -1.056 3.289 1.00 0.00 C ATOM 648 C VAL A 41 -3.129 -0.392 4.646 1.00 0.00 C ATOM 649 O VAL A 41 -4.145 0.258 4.898 1.00 0.00 O ATOM 650 CB VAL A 41 -2.028 -0.175 2.403 1.00 0.00 C ATOM 651 CG1 VAL A 41 -0.592 -0.182 2.908 1.00 0.00 C ATOM 652 CG2 VAL A 41 -2.082 -0.622 0.952 1.00 0.00 C ATOM 0 H VAL A 41 -4.742 -0.413 2.434 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.465 -2.028 3.410 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.401 0.847 2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.023 0.446 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.563 0.205 3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.207 -1.202 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.430 0.013 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.749 -1.657 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.105 -0.542 0.585 1.00 0.00 H new ATOM 662 N ARG A 42 -2.155 -0.567 5.517 1.00 0.00 N ATOM 663 CA ARG A 42 -2.209 0.014 6.845 1.00 0.00 C ATOM 664 C ARG A 42 -1.680 1.442 6.798 1.00 0.00 C ATOM 665 O ARG A 42 -0.475 1.667 6.655 1.00 0.00 O ATOM 666 CB ARG A 42 -1.385 -0.832 7.817 1.00 0.00 C ATOM 667 CG ARG A 42 -1.572 -0.460 9.279 1.00 0.00 C ATOM 668 CD ARG A 42 -0.675 -1.297 10.177 1.00 0.00 C ATOM 669 NE ARG A 42 -0.806 -2.725 9.898 1.00 0.00 N ATOM 670 CZ ARG A 42 -0.531 -3.686 10.776 1.00 0.00 C ATOM 671 NH1 ARG A 42 -0.150 -3.380 12.009 1.00 0.00 N ATOM 672 NH2 ARG A 42 -0.650 -4.955 10.412 1.00 0.00 N ATOM 0 H ARG A 42 -1.312 -1.110 5.328 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.242 0.032 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.651 -1.881 7.684 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.330 -0.735 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.348 0.597 9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.614 -0.605 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.363 -0.994 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.926 -1.106 11.220 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.129 -3.003 8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.066 -2.403 12.289 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.059 -4.122 12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.950 -5.188 9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.441 -5.698 11.078 1.00 0.00 H new ATOM 686 N VAL A 43 -2.580 2.400 6.902 1.00 0.00 N ATOM 687 CA VAL A 43 -2.216 3.799 6.772 1.00 0.00 C ATOM 688 C VAL A 43 -2.475 4.565 8.064 1.00 0.00 C ATOM 689 O VAL A 43 -3.151 4.072 8.970 1.00 0.00 O ATOM 690 CB VAL A 43 -2.981 4.473 5.610 1.00 0.00 C ATOM 691 CG1 VAL A 43 -2.571 3.872 4.270 1.00 0.00 C ATOM 692 CG2 VAL A 43 -4.484 4.350 5.807 1.00 0.00 C ATOM 0 H VAL A 43 -3.571 2.235 7.077 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.148 3.829 6.556 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.720 5.531 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.122 4.362 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.502 4.018 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.795 2.805 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.000 4.832 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.761 3.296 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.769 4.834 6.741 1.00 0.00 H new ATOM 702 N VAL A 44 -1.929 5.769 8.136 1.00 0.00 N ATOM 703 CA VAL A 44 -2.127 6.636 9.283 1.00 0.00 C ATOM 704 C VAL A 44 -2.744 7.955 8.827 1.00 0.00 C ATOM 705 O VAL A 44 -2.365 8.507 7.790 1.00 0.00 O ATOM 706 CB VAL A 44 -0.802 6.890 10.045 1.00 0.00 C ATOM 707 CG1 VAL A 44 0.233 7.563 9.151 1.00 0.00 C ATOM 708 CG2 VAL A 44 -1.050 7.710 11.305 1.00 0.00 C ATOM 0 H VAL A 44 -1.340 6.169 7.405 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.806 6.137 9.974 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.400 5.922 10.343 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.150 7.727 9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.444 6.924 8.294 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.155 8.520 8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.105 7.876 11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.488 8.670 11.034 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.734 7.171 11.961 1.00 0.00 H new ATOM 718 N LEU A 45 -3.724 8.437 9.572 1.00 0.00 N ATOM 719 CA LEU A 45 -4.413 9.663 9.221 1.00 0.00 C ATOM 720 C LEU A 45 -3.835 10.842 9.995 1.00 0.00 C ATOM 721 O LEU A 45 -3.317 10.666 11.100 1.00 0.00 O ATOM 722 CB LEU A 45 -5.908 9.519 9.508 1.00 0.00 C ATOM 723 CG LEU A 45 -6.603 8.373 8.766 1.00 0.00 C ATOM 724 CD1 LEU A 45 -8.086 8.355 9.089 1.00 0.00 C ATOM 725 CD2 LEU A 45 -6.390 8.489 7.264 1.00 0.00 C ATOM 0 H LEU A 45 -4.060 7.994 10.427 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.273 9.852 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.044 9.373 10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.404 10.454 9.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.160 7.435 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.565 7.535 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.223 8.218 10.162 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.536 9.300 8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.893 7.664 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.801 9.435 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.323 8.452 7.044 1.00 0.00 H new ATOM 737 N PRO A 46 -3.917 12.061 9.430 1.00 0.00 N ATOM 738 CA PRO A 46 -3.370 13.275 10.059 1.00 0.00 C ATOM 739 C PRO A 46 -4.053 13.612 11.382 1.00 0.00 C ATOM 740 O PRO A 46 -3.545 14.404 12.175 1.00 0.00 O ATOM 741 CB PRO A 46 -3.643 14.376 9.026 1.00 0.00 C ATOM 742 CG PRO A 46 -3.892 13.658 7.746 1.00 0.00 C ATOM 743 CD PRO A 46 -4.528 12.354 8.124 1.00 0.00 C ATOM 0 HA PRO A 46 -2.315 13.154 10.306 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.504 14.980 9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.793 15.053 8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.546 14.237 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.962 13.496 7.202 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.612 12.438 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.316 11.573 7.394 1.00 0.00 H new ATOM 751 N ASP A 47 -5.206 13.001 11.611 1.00 0.00 N ATOM 752 CA ASP A 47 -5.958 13.200 12.843 1.00 0.00 C ATOM 753 C ASP A 47 -5.370 12.349 13.966 1.00 0.00 C ATOM 754 O ASP A 47 -5.643 12.575 15.145 1.00 0.00 O ATOM 755 CB ASP A 47 -7.432 12.838 12.618 1.00 0.00 C ATOM 756 CG ASP A 47 -8.326 13.233 13.780 1.00 0.00 C ATOM 757 OD1 ASP A 47 -8.668 14.429 13.885 1.00 0.00 O ATOM 758 OD2 ASP A 47 -8.715 12.351 14.573 1.00 0.00 O ATOM 0 H ASP A 47 -5.645 12.357 10.953 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.891 14.249 13.132 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.786 13.329 11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.515 11.764 12.452 1.00 0.00 H new ATOM 763 N GLY A 48 -4.536 11.381 13.592 1.00 0.00 N ATOM 764 CA GLY A 48 -3.963 10.469 14.562 1.00 0.00 C ATOM 765 C GLY A 48 -4.661 9.125 14.551 1.00 0.00 C ATOM 766 O GLY A 48 -4.518 8.329 15.480 1.00 0.00 O ATOM 0 H GLY A 48 -4.247 11.214 12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.903 10.330 14.348 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.033 10.907 15.558 1.00 0.00 H new ATOM 770 N THR A 49 -5.423 8.880 13.500 1.00 0.00 N ATOM 771 CA THR A 49 -6.150 7.635 13.355 1.00 0.00 C ATOM 772 C THR A 49 -5.289 6.602 12.639 1.00 0.00 C ATOM 773 O THR A 49 -4.453 6.947 11.803 1.00 0.00 O ATOM 774 CB THR A 49 -7.435 7.847 12.542 1.00 0.00 C ATOM 775 OG1 THR A 49 -7.850 9.215 12.644 1.00 0.00 O ATOM 776 CG2 THR A 49 -8.550 6.938 13.035 1.00 0.00 C ATOM 0 H THR A 49 -5.554 9.535 12.729 1.00 0.00 H new ATOM 0 HA THR A 49 -6.405 7.281 14.354 1.00 0.00 H new ATOM 0 HB THR A 49 -7.226 7.601 11.501 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.669 9.348 12.123 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.448 7.109 12.442 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.242 5.897 12.935 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.760 7.155 14.082 1.00 0.00 H new ATOM 784 N ILE A 50 -5.502 5.345 12.969 1.00 0.00 N ATOM 785 CA ILE A 50 -4.781 4.248 12.342 1.00 0.00 C ATOM 786 C ILE A 50 -5.779 3.221 11.834 1.00 0.00 C ATOM 787 O ILE A 50 -6.450 2.559 12.625 1.00 0.00 O ATOM 788 CB ILE A 50 -3.806 3.563 13.327 1.00 0.00 C ATOM 789 CG1 ILE A 50 -2.802 4.574 13.887 1.00 0.00 C ATOM 790 CG2 ILE A 50 -3.080 2.415 12.638 1.00 0.00 C ATOM 791 CD1 ILE A 50 -1.945 4.024 15.008 1.00 0.00 C ATOM 0 H ILE A 50 -6.176 5.052 13.676 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.196 4.657 11.519 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.383 3.161 14.159 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.154 4.914 13.079 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.344 5.447 14.251 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.397 1.941 13.343 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.807 1.682 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.516 2.799 11.788 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.258 4.797 15.354 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.584 3.710 15.834 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.375 3.169 14.644 1.00 0.00 H new ATOM 803 N LYS A 51 -5.888 3.093 10.523 1.00 0.00 N ATOM 804 CA LYS A 51 -6.889 2.218 9.938 1.00 0.00 C ATOM 805 C LYS A 51 -6.361 1.581 8.663 1.00 0.00 C ATOM 806 O LYS A 51 -5.538 2.167 7.960 1.00 0.00 O ATOM 807 CB LYS A 51 -8.164 3.013 9.633 1.00 0.00 C ATOM 808 CG LYS A 51 -9.392 2.149 9.377 1.00 0.00 C ATOM 809 CD LYS A 51 -10.627 2.997 9.112 1.00 0.00 C ATOM 810 CE LYS A 51 -11.885 2.146 9.000 1.00 0.00 C ATOM 811 NZ LYS A 51 -11.822 1.190 7.861 1.00 0.00 N ATOM 0 H LYS A 51 -5.300 3.580 9.847 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.120 1.428 10.653 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.371 3.681 10.469 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.987 3.641 8.760 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.207 1.497 8.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.570 1.504 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.749 3.722 9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.488 3.563 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.030 1.593 9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.751 2.796 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.737 0.706 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.609 1.708 6.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.076 0.487 8.038 1.00 0.00 H new ATOM 825 N ARG A 52 -6.826 0.378 8.377 1.00 0.00 N ATOM 826 CA ARG A 52 -6.492 -0.279 7.129 1.00 0.00 C ATOM 827 C ARG A 52 -7.519 0.102 6.074 1.00 0.00 C ATOM 828 O ARG A 52 -8.717 -0.132 6.246 1.00 0.00 O ATOM 829 CB ARG A 52 -6.450 -1.797 7.290 1.00 0.00 C ATOM 830 CG ARG A 52 -5.476 -2.287 8.349 1.00 0.00 C ATOM 831 CD ARG A 52 -5.431 -3.803 8.377 1.00 0.00 C ATOM 832 NE ARG A 52 -4.695 -4.324 9.532 1.00 0.00 N ATOM 833 CZ ARG A 52 -4.250 -5.580 9.631 1.00 0.00 C ATOM 834 NH1 ARG A 52 -4.439 -6.440 8.636 1.00 0.00 N ATOM 835 NH2 ARG A 52 -3.610 -5.975 10.725 1.00 0.00 N ATOM 0 H ARG A 52 -7.435 -0.162 8.992 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.499 0.049 6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.450 -2.152 7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.183 -2.245 6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.481 -1.893 8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.774 -1.909 9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.449 -4.193 8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.966 -4.166 7.461 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.511 -3.689 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.926 -6.143 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.097 -7.397 8.718 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.457 -5.319 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.271 -6.934 10.799 1.00 0.00 H new ATOM 849 N MET A 53 -7.054 0.699 4.995 1.00 0.00 N ATOM 850 CA MET A 53 -7.955 1.162 3.944 1.00 0.00 C ATOM 851 C MET A 53 -7.488 0.685 2.580 1.00 0.00 C ATOM 852 O MET A 53 -6.291 0.520 2.346 1.00 0.00 O ATOM 853 CB MET A 53 -8.081 2.690 3.942 1.00 0.00 C ATOM 854 CG MET A 53 -8.728 3.258 5.197 1.00 0.00 C ATOM 855 SD MET A 53 -9.195 4.996 5.024 1.00 0.00 S ATOM 856 CE MET A 53 -7.613 5.755 4.657 1.00 0.00 C ATOM 0 H MET A 53 -6.065 0.877 4.818 1.00 0.00 H new ATOM 0 HA MET A 53 -8.936 0.736 4.153 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.089 3.126 3.828 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.665 2.995 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.614 2.672 5.440 1.00 0.00 H new ATOM 0 HG3 MET A 53 -8.038 3.154 6.034 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.768 6.790 4.351 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.982 5.730 5.546 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.125 5.208 3.850 1.00 0.00 H new ATOM 866 N ARG A 54 -8.438 0.480 1.683 1.00 0.00 N ATOM 867 CA ARG A 54 -8.142 -0.029 0.355 1.00 0.00 C ATOM 868 C ARG A 54 -7.548 1.059 -0.523 1.00 0.00 C ATOM 869 O ARG A 54 -8.212 2.047 -0.865 1.00 0.00 O ATOM 870 CB ARG A 54 -9.402 -0.611 -0.277 1.00 0.00 C ATOM 871 CG ARG A 54 -9.842 -1.908 0.375 1.00 0.00 C ATOM 872 CD ARG A 54 -11.287 -2.228 0.053 1.00 0.00 C ATOM 873 NE ARG A 54 -12.205 -1.272 0.673 1.00 0.00 N ATOM 874 CZ ARG A 54 -13.528 -1.303 0.525 1.00 0.00 C ATOM 875 NH1 ARG A 54 -14.088 -2.246 -0.227 1.00 0.00 N ATOM 876 NH2 ARG A 54 -14.284 -0.401 1.144 1.00 0.00 N ATOM 0 H ARG A 54 -9.428 0.660 1.853 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.401 -0.823 0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.209 0.118 -0.205 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.223 -0.785 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.203 -2.723 0.034 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.716 -1.835 1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.429 -2.220 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.522 -3.235 0.398 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.806 -0.535 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.504 -2.943 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.101 -2.272 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.850 0.312 1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.298 -0.422 1.033 1.00 0.00 H new ATOM 890 N VAL A 55 -6.289 0.874 -0.875 1.00 0.00 N ATOM 891 CA VAL A 55 -5.569 1.831 -1.689 1.00 0.00 C ATOM 892 C VAL A 55 -5.432 1.281 -3.098 1.00 0.00 C ATOM 893 O VAL A 55 -5.376 0.068 -3.286 1.00 0.00 O ATOM 894 CB VAL A 55 -4.162 2.123 -1.109 1.00 0.00 C ATOM 895 CG1 VAL A 55 -3.503 3.290 -1.827 1.00 0.00 C ATOM 896 CG2 VAL A 55 -4.239 2.391 0.388 1.00 0.00 C ATOM 0 H VAL A 55 -5.740 0.058 -0.605 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.130 2.766 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.546 1.238 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.517 3.471 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.400 3.054 -2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.118 4.182 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.240 2.593 0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.880 3.254 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.653 1.518 0.893 1.00 0.00 H new ATOM 906 N CYS A 56 -5.410 2.157 -4.088 1.00 0.00 N ATOM 907 CA CYS A 56 -5.237 1.717 -5.462 1.00 0.00 C ATOM 908 C CYS A 56 -3.754 1.603 -5.799 1.00 0.00 C ATOM 909 O CYS A 56 -2.929 2.346 -5.266 1.00 0.00 O ATOM 910 CB CYS A 56 -5.946 2.670 -6.427 1.00 0.00 C ATOM 911 SG CYS A 56 -5.480 4.408 -6.263 1.00 0.00 S ATOM 0 H CYS A 56 -5.508 3.165 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.689 0.731 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.740 2.349 -7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.022 2.582 -6.276 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.642 4.542 -5.278 1.00 0.00 H new ATOM 917 N THR A 57 -3.422 0.665 -6.683 1.00 0.00 N ATOM 918 CA THR A 57 -2.039 0.440 -7.097 1.00 0.00 C ATOM 919 C THR A 57 -1.427 1.704 -7.712 1.00 0.00 C ATOM 920 O THR A 57 -0.210 1.895 -7.682 1.00 0.00 O ATOM 921 CB THR A 57 -1.975 -0.713 -8.113 1.00 0.00 C ATOM 922 OG1 THR A 57 -2.854 -1.766 -7.694 1.00 0.00 O ATOM 923 CG2 THR A 57 -0.560 -1.257 -8.236 1.00 0.00 C ATOM 0 H THR A 57 -4.097 0.044 -7.129 1.00 0.00 H new ATOM 0 HA THR A 57 -1.462 0.179 -6.210 1.00 0.00 H new ATOM 0 HB THR A 57 -2.283 -0.331 -9.086 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.955 -1.739 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.545 -2.071 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.108 -0.462 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.227 -1.628 -7.267 1.00 0.00 H new ATOM 931 N SER A 58 -2.281 2.566 -8.255 1.00 0.00 N ATOM 932 CA SER A 58 -1.843 3.844 -8.795 1.00 0.00 C ATOM 933 C SER A 58 -1.191 4.689 -7.700 1.00 0.00 C ATOM 934 O SER A 58 -0.166 5.330 -7.924 1.00 0.00 O ATOM 935 CB SER A 58 -3.035 4.585 -9.400 1.00 0.00 C ATOM 936 OG SER A 58 -3.728 3.761 -10.322 1.00 0.00 O ATOM 0 H SER A 58 -3.284 2.399 -8.332 1.00 0.00 H new ATOM 0 HA SER A 58 -1.104 3.664 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.713 4.900 -8.607 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.690 5.489 -9.902 1.00 0.00 H new ATOM 0 HG SER A 58 -4.488 4.255 -10.695 1.00 0.00 H new ATOM 942 N CYS A 59 -1.782 4.661 -6.508 1.00 0.00 N ATOM 943 CA CYS A 59 -1.240 5.367 -5.363 1.00 0.00 C ATOM 944 C CYS A 59 -0.020 4.637 -4.812 1.00 0.00 C ATOM 945 O CYS A 59 0.922 5.267 -4.324 1.00 0.00 O ATOM 946 CB CYS A 59 -2.309 5.507 -4.280 1.00 0.00 C ATOM 947 SG CYS A 59 -3.678 6.596 -4.732 1.00 0.00 S ATOM 0 H CYS A 59 -2.644 4.151 -6.315 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.929 6.362 -5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.706 4.519 -4.047 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.842 5.886 -3.371 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.382 6.040 -5.673 1.00 0.00 H new ATOM 953 N LEU A 60 -0.042 3.308 -4.897 1.00 0.00 N ATOM 954 CA LEU A 60 1.076 2.489 -4.440 1.00 0.00 C ATOM 955 C LEU A 60 2.373 2.883 -5.136 1.00 0.00 C ATOM 956 O LEU A 60 3.375 3.182 -4.482 1.00 0.00 O ATOM 957 CB LEU A 60 0.807 1.001 -4.694 1.00 0.00 C ATOM 958 CG LEU A 60 -0.225 0.336 -3.781 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.157 -1.173 -3.951 1.00 0.00 C ATOM 960 CD2 LEU A 60 -0.002 0.729 -2.325 1.00 0.00 C ATOM 0 H LEU A 60 -0.824 2.776 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 60 1.179 2.662 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.477 0.884 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.749 0.461 -4.597 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.219 0.681 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.892 -1.646 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.370 -1.432 -4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.840 -1.524 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.749 0.242 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.994 0.416 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.091 1.810 -2.222 1.00 0.00 H new ATOM 972 N LYS A 61 2.350 2.899 -6.465 1.00 0.00 N ATOM 973 CA LYS A 61 3.542 3.216 -7.245 1.00 0.00 C ATOM 974 C LYS A 61 3.746 4.726 -7.342 1.00 0.00 C ATOM 975 O LYS A 61 4.714 5.195 -7.937 1.00 0.00 O ATOM 976 CB LYS A 61 3.479 2.585 -8.641 1.00 0.00 C ATOM 977 CG LYS A 61 2.369 3.122 -9.533 1.00 0.00 C ATOM 978 CD LYS A 61 2.438 2.506 -10.925 1.00 0.00 C ATOM 979 CE LYS A 61 3.757 2.833 -11.619 1.00 0.00 C ATOM 980 NZ LYS A 61 3.873 2.168 -12.946 1.00 0.00 N ATOM 0 H LYS A 61 1.521 2.697 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 61 4.400 2.789 -6.725 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.435 2.743 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.350 1.508 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.400 2.905 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.450 4.206 -9.607 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.323 1.425 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.608 2.874 -11.528 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.841 3.912 -11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.587 2.522 -10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.855 2.233 -13.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.602 1.168 -12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.243 2.639 -13.626 1.00 0.00 H new ATOM 994 N SER A 62 2.819 5.483 -6.772 1.00 0.00 N ATOM 995 CA SER A 62 2.961 6.927 -6.712 1.00 0.00 C ATOM 996 C SER A 62 3.760 7.308 -5.467 1.00 0.00 C ATOM 997 O SER A 62 4.519 8.281 -5.469 1.00 0.00 O ATOM 998 CB SER A 62 1.582 7.599 -6.703 1.00 0.00 C ATOM 999 OG SER A 62 1.689 9.001 -6.880 1.00 0.00 O ATOM 0 H SER A 62 1.965 5.122 -6.347 1.00 0.00 H new ATOM 0 HA SER A 62 3.497 7.275 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.965 7.177 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.078 7.387 -5.760 1.00 0.00 H new ATOM 0 HG SER A 62 2.606 9.287 -6.683 1.00 0.00 H new ATOM 1005 N GLY A 63 3.605 6.509 -4.416 1.00 0.00 N ATOM 1006 CA GLY A 63 4.342 6.725 -3.186 1.00 0.00 C ATOM 1007 C GLY A 63 4.038 8.061 -2.541 1.00 0.00 C ATOM 1008 O GLY A 63 4.948 8.786 -2.145 1.00 0.00 O ATOM 0 H GLY A 63 2.975 5.707 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.106 5.926 -2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.410 6.662 -3.393 1.00 0.00 H new ATOM 1012 N LYS A 64 2.761 8.393 -2.438 1.00 0.00 N ATOM 1013 CA LYS A 64 2.359 9.648 -1.820 1.00 0.00 C ATOM 1014 C LYS A 64 1.212 9.436 -0.834 1.00 0.00 C ATOM 1015 O LYS A 64 0.355 10.302 -0.658 1.00 0.00 O ATOM 1016 CB LYS A 64 1.996 10.691 -2.893 1.00 0.00 C ATOM 1017 CG LYS A 64 1.125 10.176 -4.035 1.00 0.00 C ATOM 1018 CD LYS A 64 -0.341 10.048 -3.645 1.00 0.00 C ATOM 1019 CE LYS A 64 -1.216 9.791 -4.862 1.00 0.00 C ATOM 1020 NZ LYS A 64 -1.109 10.886 -5.864 1.00 0.00 N ATOM 0 H LYS A 64 1.989 7.816 -2.772 1.00 0.00 H new ATOM 0 HA LYS A 64 3.206 10.034 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.480 11.520 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.918 11.091 -3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.213 10.851 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.496 9.204 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.460 9.233 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.668 10.960 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.927 8.847 -5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.254 9.687 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.960 10.894 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.023 11.799 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.270 10.732 -6.458 1.00 0.00 H new ATOM 1034 N VAL A 65 1.216 8.286 -0.174 1.00 0.00 N ATOM 1035 CA VAL A 65 0.209 7.983 0.831 1.00 0.00 C ATOM 1036 C VAL A 65 0.855 7.933 2.209 1.00 0.00 C ATOM 1037 O VAL A 65 2.036 7.602 2.329 1.00 0.00 O ATOM 1038 CB VAL A 65 -0.511 6.645 0.540 1.00 0.00 C ATOM 1039 CG1 VAL A 65 -1.329 6.751 -0.738 1.00 0.00 C ATOM 1040 CG2 VAL A 65 0.485 5.498 0.442 1.00 0.00 C ATOM 0 H VAL A 65 1.906 7.548 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.539 8.775 0.801 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.185 6.435 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.830 5.802 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.074 7.539 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.670 6.988 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.048 4.570 0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.191 5.697 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.027 5.405 1.383 1.00 0.00 H new ATOM 1050 N LYS A 66 0.095 8.279 3.234 1.00 0.00 N ATOM 1051 CA LYS A 66 0.618 8.283 4.591 1.00 0.00 C ATOM 1052 C LYS A 66 0.481 6.898 5.202 1.00 0.00 C ATOM 1053 O LYS A 66 -0.604 6.475 5.602 1.00 0.00 O ATOM 1054 CB LYS A 66 -0.084 9.344 5.443 1.00 0.00 C ATOM 1055 CG LYS A 66 0.235 10.761 4.993 1.00 0.00 C ATOM 1056 CD LYS A 66 -0.440 11.810 5.861 1.00 0.00 C ATOM 1057 CE LYS A 66 -0.003 13.208 5.462 1.00 0.00 C ATOM 1058 NZ LYS A 66 -0.656 14.253 6.287 1.00 0.00 N ATOM 0 H LYS A 66 -0.882 8.560 3.154 1.00 0.00 H new ATOM 0 HA LYS A 66 1.677 8.541 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.162 9.186 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.212 9.222 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.314 10.913 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.082 10.891 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.523 11.723 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.195 11.633 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.079 13.291 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.240 13.375 4.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.054 15.101 6.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.579 14.496 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.794 13.896 7.254 1.00 0.00 H new ATOM 1072 N LYS A 67 1.598 6.192 5.245 1.00 0.00 N ATOM 1073 CA LYS A 67 1.628 4.800 5.665 1.00 0.00 C ATOM 1074 C LYS A 67 1.962 4.658 7.146 1.00 0.00 C ATOM 1075 O LYS A 67 2.730 5.443 7.702 1.00 0.00 O ATOM 1076 CB LYS A 67 2.676 4.045 4.848 1.00 0.00 C ATOM 1077 CG LYS A 67 2.287 3.778 3.407 1.00 0.00 C ATOM 1078 CD LYS A 67 3.490 3.301 2.616 1.00 0.00 C ATOM 1079 CE LYS A 67 3.120 2.859 1.210 1.00 0.00 C ATOM 1080 NZ LYS A 67 4.325 2.683 0.363 1.00 0.00 N ATOM 0 H LYS A 67 2.511 6.568 4.989 1.00 0.00 H new ATOM 0 HA LYS A 67 0.634 4.384 5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.605 4.615 4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.881 3.093 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.498 3.027 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.885 4.686 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.226 4.103 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.962 2.471 3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.566 1.922 1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.460 3.598 0.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.102 2.049 -0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.627 3.607 -0.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.092 2.270 0.931 1.00 0.00 H new ATOM 1094 N TYR A 68 1.390 3.641 7.773 1.00 0.00 N ATOM 1095 CA TYR A 68 1.749 3.277 9.139 1.00 0.00 C ATOM 1096 C TYR A 68 2.564 1.983 9.092 1.00 0.00 C ATOM 1097 O TYR A 68 2.366 1.066 9.889 1.00 0.00 O ATOM 1098 CB TYR A 68 0.484 3.124 10.002 1.00 0.00 C ATOM 1099 CG TYR A 68 0.752 2.850 11.472 1.00 0.00 C ATOM 1100 CD1 TYR A 68 1.379 3.790 12.281 1.00 0.00 C ATOM 1101 CD2 TYR A 68 0.377 1.642 12.046 1.00 0.00 C ATOM 1102 CE1 TYR A 68 1.627 3.531 13.618 1.00 0.00 C ATOM 1103 CE2 TYR A 68 0.620 1.377 13.380 1.00 0.00 C ATOM 1104 CZ TYR A 68 1.246 2.322 14.162 1.00 0.00 C ATOM 1105 OH TYR A 68 1.493 2.052 15.492 1.00 0.00 O ATOM 0 H TYR A 68 0.671 3.049 7.356 1.00 0.00 H new ATOM 0 HA TYR A 68 2.352 4.061 9.597 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.110 4.034 9.918 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.119 2.311 9.598 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.678 4.738 11.860 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.114 0.896 11.438 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.117 4.272 14.232 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.320 0.432 13.808 1.00 0.00 H new ATOM 0 HH TYR A 68 1.159 1.157 15.712 1.00 0.00 H new ATOM 1115 N VAL A 69 3.494 1.946 8.138 1.00 0.00 N ATOM 1116 CA VAL A 69 4.327 0.773 7.877 1.00 0.00 C ATOM 1117 C VAL A 69 3.488 -0.376 7.321 1.00 0.00 C ATOM 1118 O VAL A 69 2.763 -1.056 8.053 1.00 0.00 O ATOM 1119 CB VAL A 69 5.095 0.297 9.133 1.00 0.00 C ATOM 1120 CG1 VAL A 69 5.940 -0.929 8.815 1.00 0.00 C ATOM 1121 CG2 VAL A 69 5.965 1.414 9.689 1.00 0.00 C ATOM 0 H VAL A 69 3.692 2.734 7.521 1.00 0.00 H new ATOM 0 HA VAL A 69 5.065 1.078 7.135 1.00 0.00 H new ATOM 0 HB VAL A 69 4.363 0.022 9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.472 -1.247 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.294 -1.737 8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.660 -0.682 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.496 1.057 10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.686 1.724 8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.337 2.263 9.962 1.00 0.00 H new ATOM 1131 N GLY A 70 3.581 -0.569 6.014 1.00 0.00 N ATOM 1132 CA GLY A 70 2.854 -1.635 5.365 1.00 0.00 C ATOM 1133 C GLY A 70 3.427 -1.954 4.002 1.00 0.00 C ATOM 1134 O GLY A 70 3.493 -1.074 3.141 1.00 0.00 O ATOM 0 H GLY A 70 4.152 -0.000 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.882 -2.528 5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.807 -1.351 5.262 1.00 0.00 H new ATOM 1138 N GLN A 71 3.845 -3.209 3.822 1.00 0.00 N ATOM 1139 CA GLN A 71 4.455 -3.674 2.575 1.00 0.00 C ATOM 1140 C GLN A 71 5.831 -3.047 2.367 1.00 0.00 C ATOM 1141 O GLN A 71 5.965 -1.975 1.776 1.00 0.00 O ATOM 1142 CB GLN A 71 3.559 -3.399 1.360 1.00 0.00 C ATOM 1143 CG GLN A 71 2.206 -4.089 1.424 1.00 0.00 C ATOM 1144 CD GLN A 71 1.378 -3.855 0.179 1.00 0.00 C ATOM 1145 OE1 GLN A 71 1.436 -4.628 -0.775 1.00 0.00 O ATOM 1146 NE2 GLN A 71 0.611 -2.777 0.170 1.00 0.00 N ATOM 0 H GLN A 71 3.770 -3.932 4.538 1.00 0.00 H new ATOM 0 HA GLN A 71 4.573 -4.754 2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.404 -2.324 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.078 -3.722 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.354 -5.160 1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.658 -3.728 2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.590 -2.159 0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.041 -2.564 -0.648 1.00 0.00 H new ATOM 1155 N VAL A 72 6.849 -3.711 2.886 1.00 0.00 N ATOM 1156 CA VAL A 72 8.221 -3.265 2.708 1.00 0.00 C ATOM 1157 C VAL A 72 8.791 -3.857 1.420 1.00 0.00 C ATOM 1158 O VAL A 72 8.442 -4.980 1.040 1.00 0.00 O ATOM 1159 CB VAL A 72 9.105 -3.649 3.924 1.00 0.00 C ATOM 1160 CG1 VAL A 72 9.204 -5.159 4.083 1.00 0.00 C ATOM 1161 CG2 VAL A 72 10.491 -3.022 3.815 1.00 0.00 C ATOM 0 H VAL A 72 6.751 -4.564 3.436 1.00 0.00 H new ATOM 0 HA VAL A 72 8.222 -2.177 2.635 1.00 0.00 H new ATOM 0 HB VAL A 72 8.624 -3.252 4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.830 -5.394 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.208 -5.575 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.645 -5.591 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.089 -3.308 4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.978 -3.373 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.398 -1.937 3.781 1.00 0.00 H new ATOM 1171 N SER A 73 9.639 -3.084 0.745 1.00 0.00 N ATOM 1172 CA SER A 73 10.223 -3.492 -0.527 1.00 0.00 C ATOM 1173 C SER A 73 9.129 -3.645 -1.589 1.00 0.00 C ATOM 1174 O SER A 73 8.724 -4.759 -1.941 1.00 0.00 O ATOM 1175 CB SER A 73 11.020 -4.792 -0.363 1.00 0.00 C ATOM 1176 OG SER A 73 12.043 -4.644 0.614 1.00 0.00 O ATOM 0 H SER A 73 9.938 -2.162 1.064 1.00 0.00 H new ATOM 0 HA SER A 73 10.914 -2.717 -0.859 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.349 -5.600 -0.072 1.00 0.00 H new ATOM 0 HB3 SER A 73 11.463 -5.074 -1.318 1.00 0.00 H new ATOM 0 HG SER A 73 12.536 -5.486 0.702 1.00 0.00 H new ATOM 1182 N GLU A 74 8.645 -2.507 -2.073 1.00 0.00 N ATOM 1183 CA GLU A 74 7.540 -2.469 -3.024 1.00 0.00 C ATOM 1184 C GLU A 74 8.041 -2.681 -4.446 1.00 0.00 C ATOM 1185 O GLU A 74 9.151 -2.272 -4.798 1.00 0.00 O ATOM 1186 CB GLU A 74 6.820 -1.122 -2.934 1.00 0.00 C ATOM 1187 CG GLU A 74 6.288 -0.802 -1.550 1.00 0.00 C ATOM 1188 CD GLU A 74 5.760 0.611 -1.454 1.00 0.00 C ATOM 1189 OE1 GLU A 74 6.582 1.545 -1.341 1.00 0.00 O ATOM 1190 OE2 GLU A 74 4.528 0.806 -1.488 1.00 0.00 O ATOM 0 H GLU A 74 9.006 -1.588 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 74 6.848 -3.273 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.507 -0.333 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.991 -1.116 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.493 -1.503 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.082 -0.942 -0.816 1.00 0.00 H new ATOM 1197 N VAL A 75 7.223 -3.329 -5.258 1.00 0.00 N ATOM 1198 CA VAL A 75 7.544 -3.528 -6.661 1.00 0.00 C ATOM 1199 C VAL A 75 6.825 -2.489 -7.512 1.00 0.00 C ATOM 1200 O VAL A 75 5.625 -2.611 -7.779 1.00 0.00 O ATOM 1201 CB VAL A 75 7.164 -4.943 -7.149 1.00 0.00 C ATOM 1202 CG1 VAL A 75 7.553 -5.132 -8.605 1.00 0.00 C ATOM 1203 CG2 VAL A 75 7.819 -6.006 -6.281 1.00 0.00 C ATOM 0 H VAL A 75 6.330 -3.727 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 75 8.623 -3.416 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 75 6.083 -5.051 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.276 -6.136 -8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.033 -4.397 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.629 -5.000 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.538 -6.995 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.903 -5.897 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.487 -5.889 -5.249 1.00 0.00 H new ATOM 1213 N GLY A 76 7.556 -1.455 -7.909 1.00 0.00 N ATOM 1214 CA GLY A 76 6.983 -0.399 -8.717 1.00 0.00 C ATOM 1215 C GLY A 76 7.005 -0.739 -10.190 1.00 0.00 C ATOM 1216 O GLY A 76 7.914 -0.336 -10.913 1.00 0.00 O ATOM 0 H GLY A 76 8.543 -1.330 -7.683 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.955 -0.218 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.535 0.526 -8.550 1.00 0.00 H new ATOM 1220 N SER A 77 6.017 -1.501 -10.622 1.00 0.00 N ATOM 1221 CA SER A 77 5.906 -1.890 -12.014 1.00 0.00 C ATOM 1222 C SER A 77 5.284 -0.753 -12.817 1.00 0.00 C ATOM 1223 O SER A 77 4.092 -0.453 -12.601 1.00 0.00 O ATOM 1224 CB SER A 77 5.071 -3.168 -12.141 1.00 0.00 C ATOM 1225 OG SER A 77 5.145 -3.714 -13.451 1.00 0.00 O ATOM 1226 OXT SER A 77 5.991 -0.156 -13.658 1.00 0.00 O ATOM 0 H SER A 77 5.275 -1.864 -10.023 1.00 0.00 H new ATOM 0 HA SER A 77 6.900 -2.094 -12.412 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.421 -3.905 -11.419 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.032 -2.950 -11.895 1.00 0.00 H new ATOM 0 HG SER A 77 4.603 -4.529 -13.497 1.00 0.00 H new TER 1232 SER A 77