USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1065 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 SER OG : rot 27:sc= 0.157 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0293 F(o=-0.98,f=-0.029) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 61:sc= 0.419 USER MOD Single : A 31 ASN : amide:sc= -17.7! C(o=-18!,f=-20!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -4.6 F(o=-5.6!,f=-4.6) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 26:sc= 0.156 USER MOD Single : B 20 ASN :FLIP amide:sc= -0.0282 F(o=-1,f=-0.028) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot -22:sc= 0.398 USER MOD Single : B 31 ASN : amide:sc= -0.932 K(o=-0.93,f=-2!) USER MOD Single : B 37 HIS :FLIP no HD1:sc= -4.92 F(o=-5.5!,f=-4.9) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 19 SER OG : rot 37:sc= 0.168 USER MOD Single : C 20 ASN :FLIP amide:sc= -0.0325 F(o=-1,f=-0.033) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 4:sc= 0.583! USER MOD Single : C 31 ASN : amide:sc= -0.482 K(o=-0.48,f=-2.1!) USER MOD Single : C 37 HIS :FLIP no HD1:sc= -5.08! C(o=-5.8!,f=-5.1!) USER MOD Single : C 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 19 SER OG : rot 36:sc= 0.163 USER MOD Single : D 20 ASN :FLIP amide:sc= -0.0544 F(o=-1,f=-0.054) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 63:sc= 0.397 USER MOD Single : D 31 ASN : amide:sc= -1.06 K(o=-1.1,f=-2!) USER MOD Single : D 37 HIS :FLIP no HD1:sc= -5.07! C(o=-5.7!,f=-5.1!) USER MOD Single : D 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 -10.303 23.489 4.522 1.00 0.00 N ATOM 2 CA SER A 19 -9.135 22.628 4.187 1.00 0.00 C ATOM 3 C SER A 19 -8.287 23.317 3.123 1.00 0.00 C ATOM 4 O SER A 19 -8.657 24.373 2.609 1.00 0.00 O ATOM 5 CB SER A 19 -9.632 21.279 3.667 1.00 0.00 C ATOM 6 OG SER A 19 -10.497 20.694 4.631 1.00 0.00 O ATOM 0 HA SER A 19 -8.528 22.466 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.159 21.412 2.722 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.788 20.618 3.471 1.00 0.00 H new ATOM 0 HG SER A 19 -10.917 21.400 5.165 1.00 0.00 H new ATOM 14 N ASN A 20 -7.149 22.713 2.797 1.00 0.00 N ATOM 15 CA ASN A 20 -6.255 23.277 1.793 1.00 0.00 C ATOM 16 C ASN A 20 -6.745 22.933 0.389 1.00 0.00 C ATOM 17 O ASN A 20 -7.032 21.774 0.089 1.00 0.00 O ATOM 18 CB ASN A 20 -4.839 22.732 1.988 1.00 0.00 C ATOM 19 CG ASN A 20 -4.239 23.284 3.279 1.00 0.00 C ATOM 20 OD1 ASN A 20 -4.503 24.509 3.642 1.00 0.00 O flip ATOM 21 ND2 ASN A 20 -3.502 22.581 3.970 1.00 0.00 N flip ATOM 0 H ASN A 20 -6.826 21.838 3.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.245 24.361 1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.862 21.643 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.214 23.009 1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.296 21.623 3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.097 22.956 4.828 1.00 0.00 H new ATOM 28 N ASP A 21 -6.835 23.946 -0.465 1.00 0.00 N ATOM 29 CA ASP A 21 -7.291 23.740 -1.834 1.00 0.00 C ATOM 30 C ASP A 21 -6.326 22.826 -2.586 1.00 0.00 C ATOM 31 O ASP A 21 -6.747 21.945 -3.335 1.00 0.00 O ATOM 32 CB ASP A 21 -7.394 25.083 -2.556 1.00 0.00 C ATOM 33 CG ASP A 21 -8.587 25.872 -2.023 1.00 0.00 C ATOM 34 OD1 ASP A 21 -9.418 25.277 -1.357 1.00 0.00 O ATOM 35 OD2 ASP A 21 -8.652 27.063 -2.288 1.00 0.00 O ATOM 0 H ASP A 21 -6.600 24.912 -0.236 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.273 23.268 -1.805 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.477 25.654 -2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.504 24.921 -3.628 1.00 0.00 H new ATOM 40 N SER A 22 -5.031 23.044 -2.379 1.00 0.00 N ATOM 41 CA SER A 22 -4.012 22.235 -3.041 1.00 0.00 C ATOM 42 C SER A 22 -4.151 20.766 -2.650 1.00 0.00 C ATOM 43 O SER A 22 -4.027 19.877 -3.493 1.00 0.00 O ATOM 44 CB SER A 22 -2.619 22.734 -2.658 1.00 0.00 C ATOM 45 OG SER A 22 -2.471 24.082 -3.090 1.00 0.00 O ATOM 0 H SER A 22 -4.664 23.769 -1.763 1.00 0.00 H new ATOM 0 HA SER A 22 -4.149 22.327 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.480 22.668 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.855 22.106 -3.117 1.00 0.00 H new ATOM 0 HG SER A 22 -1.580 24.408 -2.845 1.00 0.00 H new ATOM 51 N SER A 23 -4.406 20.520 -1.370 1.00 0.00 N ATOM 52 CA SER A 23 -4.559 19.155 -0.884 1.00 0.00 C ATOM 53 C SER A 23 -5.812 18.526 -1.479 1.00 0.00 C ATOM 54 O SER A 23 -6.880 18.540 -0.866 1.00 0.00 O ATOM 55 CB SER A 23 -4.662 19.153 0.642 1.00 0.00 C ATOM 56 OG SER A 23 -5.933 19.663 1.026 1.00 0.00 O ATOM 0 H SER A 23 -4.510 21.241 -0.656 1.00 0.00 H new ATOM 0 HA SER A 23 -3.688 18.575 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.532 18.141 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.867 19.762 1.073 1.00 0.00 H new ATOM 0 HG SER A 23 -6.639 19.088 0.664 1.00 0.00 H new ATOM 62 N ASP A 24 -5.676 17.982 -2.683 1.00 0.00 N ATOM 63 CA ASP A 24 -6.806 17.356 -3.360 1.00 0.00 C ATOM 64 C ASP A 24 -7.410 16.248 -2.484 1.00 0.00 C ATOM 65 O ASP A 24 -6.708 15.643 -1.675 1.00 0.00 O ATOM 66 CB ASP A 24 -6.340 16.773 -4.708 1.00 0.00 C ATOM 67 CG ASP A 24 -6.365 17.846 -5.795 1.00 0.00 C ATOM 68 OD1 ASP A 24 -5.656 18.828 -5.649 1.00 0.00 O ATOM 69 OD2 ASP A 24 -7.094 17.670 -6.758 1.00 0.00 O ATOM 0 H ASP A 24 -4.801 17.961 -3.207 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.574 18.109 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.331 16.372 -4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.986 15.943 -4.994 1.00 0.00 H new ATOM 74 N PRO A 25 -8.684 15.970 -2.634 1.00 0.00 N ATOM 75 CA PRO A 25 -9.376 14.910 -1.838 1.00 0.00 C ATOM 76 C PRO A 25 -8.859 13.509 -2.174 1.00 0.00 C ATOM 77 O PRO A 25 -9.032 12.574 -1.391 1.00 0.00 O ATOM 78 CB PRO A 25 -10.860 15.068 -2.223 1.00 0.00 C ATOM 79 CG PRO A 25 -10.839 15.723 -3.567 1.00 0.00 C ATOM 80 CD PRO A 25 -9.610 16.630 -3.574 1.00 0.00 C ATOM 0 HA PRO A 25 -9.203 15.021 -0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.363 14.102 -2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.395 15.677 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.780 14.980 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.749 16.298 -3.735 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.178 16.711 -4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.856 17.641 -3.250 1.00 0.00 H new ATOM 88 N LEU A 26 -8.232 13.372 -3.339 1.00 0.00 N ATOM 89 CA LEU A 26 -7.706 12.075 -3.761 1.00 0.00 C ATOM 90 C LEU A 26 -6.632 11.594 -2.789 1.00 0.00 C ATOM 91 O LEU A 26 -6.598 10.424 -2.417 1.00 0.00 O ATOM 92 CB LEU A 26 -7.112 12.182 -5.173 1.00 0.00 C ATOM 93 CG LEU A 26 -6.549 10.822 -5.629 1.00 0.00 C ATOM 94 CD1 LEU A 26 -7.654 9.752 -5.615 1.00 0.00 C ATOM 95 CD2 LEU A 26 -5.988 10.968 -7.047 1.00 0.00 C ATOM 0 H LEU A 26 -8.076 14.132 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.525 11.356 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.879 12.517 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.321 12.932 -5.185 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.759 10.511 -4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.240 8.797 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.050 9.651 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.456 10.048 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.587 10.011 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.784 11.283 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.194 11.715 -7.049 1.00 0.00 H new ATOM 107 N VAL A 27 -5.752 12.508 -2.388 1.00 0.00 N ATOM 108 CA VAL A 27 -4.677 12.160 -1.465 1.00 0.00 C ATOM 109 C VAL A 27 -5.250 11.713 -0.122 1.00 0.00 C ATOM 110 O VAL A 27 -4.807 10.718 0.455 1.00 0.00 O ATOM 111 CB VAL A 27 -3.756 13.366 -1.264 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.702 13.036 -0.207 1.00 0.00 C ATOM 113 CG2 VAL A 27 -3.065 13.697 -2.586 1.00 0.00 C ATOM 0 H VAL A 27 -5.761 13.484 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.104 11.336 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.343 14.222 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.047 13.896 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.194 12.796 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.112 12.181 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.408 14.556 -2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.478 12.839 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.816 13.932 -3.340 1.00 0.00 H new ATOM 123 N VAL A 28 -6.234 12.455 0.372 1.00 0.00 N ATOM 124 CA VAL A 28 -6.860 12.128 1.648 1.00 0.00 C ATOM 125 C VAL A 28 -7.527 10.757 1.581 1.00 0.00 C ATOM 126 O VAL A 28 -7.404 9.952 2.504 1.00 0.00 O ATOM 127 CB VAL A 28 -7.899 13.193 2.005 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.608 12.802 3.303 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.201 14.542 2.188 1.00 0.00 C ATOM 0 H VAL A 28 -6.614 13.282 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.089 12.103 2.418 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.633 13.269 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.348 13.561 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.105 11.841 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.877 12.725 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.940 15.302 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.467 14.466 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.698 14.820 1.262 1.00 0.00 H new ATOM 139 N ALA A 29 -8.237 10.500 0.487 1.00 0.00 N ATOM 140 CA ALA A 29 -8.922 9.224 0.320 1.00 0.00 C ATOM 141 C ALA A 29 -7.923 8.073 0.348 1.00 0.00 C ATOM 142 O ALA A 29 -8.194 7.020 0.924 1.00 0.00 O ATOM 143 CB ALA A 29 -9.682 9.210 -1.012 1.00 0.00 C ATOM 0 H ALA A 29 -8.352 11.151 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.626 9.100 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.191 8.254 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.416 10.016 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.979 9.351 -1.833 1.00 0.00 H new ATOM 149 N ALA A 30 -6.770 8.276 -0.274 1.00 0.00 N ATOM 150 CA ALA A 30 -5.747 7.238 -0.310 1.00 0.00 C ATOM 151 C ALA A 30 -5.320 6.864 1.106 1.00 0.00 C ATOM 152 O ALA A 30 -5.119 5.689 1.412 1.00 0.00 O ATOM 153 CB ALA A 30 -4.529 7.724 -1.102 1.00 0.00 C ATOM 0 H ALA A 30 -6.520 9.140 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.166 6.358 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.772 6.940 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.830 7.964 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.117 8.614 -0.626 1.00 0.00 H new ATOM 159 N ASN A 31 -5.176 7.867 1.963 1.00 0.00 N ATOM 160 CA ASN A 31 -4.765 7.619 3.339 1.00 0.00 C ATOM 161 C ASN A 31 -5.813 6.786 4.078 1.00 0.00 C ATOM 162 O ASN A 31 -5.477 5.817 4.756 1.00 0.00 O ATOM 163 CB ASN A 31 -4.568 8.951 4.069 1.00 0.00 C ATOM 164 CG ASN A 31 -3.268 9.611 3.621 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.410 8.957 3.032 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.074 10.878 3.867 1.00 0.00 N ATOM 0 H ASN A 31 -5.335 8.848 1.734 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.826 7.065 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.409 9.613 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.547 8.784 5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.208 11.328 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.788 11.418 4.356 1.00 0.00 H new ATOM 173 N ILE A 32 -7.079 7.167 3.940 1.00 0.00 N ATOM 174 CA ILE A 32 -8.164 6.448 4.610 1.00 0.00 C ATOM 175 C ILE A 32 -8.260 5.019 4.088 1.00 0.00 C ATOM 176 O ILE A 32 -8.424 4.073 4.859 1.00 0.00 O ATOM 177 CB ILE A 32 -9.492 7.178 4.383 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.454 8.528 5.104 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.645 6.340 4.944 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.649 9.377 4.668 1.00 0.00 C ATOM 0 H ILE A 32 -7.380 7.962 3.376 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.952 6.414 5.679 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.642 7.332 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.478 8.376 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.523 9.048 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.588 6.862 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.673 5.375 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.496 6.186 6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.620 10.338 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.606 9.541 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.574 8.859 4.919 1.00 0.00 H new ATOM 192 N ILE A 33 -8.159 4.873 2.775 1.00 0.00 N ATOM 193 CA ILE A 33 -8.232 3.558 2.150 1.00 0.00 C ATOM 194 C ILE A 33 -7.078 2.677 2.622 1.00 0.00 C ATOM 195 O ILE A 33 -7.267 1.494 2.902 1.00 0.00 O ATOM 196 CB ILE A 33 -8.199 3.707 0.627 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.490 4.371 0.146 1.00 0.00 C ATOM 198 CG2 ILE A 33 -8.074 2.329 -0.021 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.334 4.781 -1.319 1.00 0.00 C ATOM 0 H ILE A 33 -8.027 5.646 2.122 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.168 3.080 2.441 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.344 4.323 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.329 3.683 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.713 5.245 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.051 2.438 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.154 1.851 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.928 1.714 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.253 5.255 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.506 5.483 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.132 3.898 -1.924 1.00 0.00 H new ATOM 211 N GLY A 34 -5.883 3.254 2.697 1.00 0.00 N ATOM 212 CA GLY A 34 -4.713 2.492 3.123 1.00 0.00 C ATOM 213 C GLY A 34 -4.967 1.807 4.462 1.00 0.00 C ATOM 214 O GLY A 34 -4.651 0.630 4.633 1.00 0.00 O ATOM 0 H GLY A 34 -5.699 4.232 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.466 1.745 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.853 3.156 3.207 1.00 0.00 H new ATOM 218 N ILE A 35 -5.546 2.540 5.407 1.00 0.00 N ATOM 219 CA ILE A 35 -5.844 1.973 6.722 1.00 0.00 C ATOM 220 C ILE A 35 -6.904 0.879 6.603 1.00 0.00 C ATOM 221 O ILE A 35 -6.804 -0.167 7.245 1.00 0.00 O ATOM 222 CB ILE A 35 -6.342 3.060 7.675 1.00 0.00 C ATOM 223 CG1 ILE A 35 -5.341 4.227 7.708 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.511 2.475 9.083 1.00 0.00 C ATOM 225 CD1 ILE A 35 -3.935 3.737 8.066 1.00 0.00 C ATOM 0 H ILE A 35 -5.817 3.517 5.292 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.925 1.542 7.120 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.305 3.431 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.321 4.721 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.667 4.970 8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.866 3.252 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.235 1.661 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.552 2.096 9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.248 4.583 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.953 3.266 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.602 3.013 7.322 1.00 0.00 H new ATOM 237 N LEU A 36 -7.925 1.136 5.783 1.00 0.00 N ATOM 238 CA LEU A 36 -9.011 0.174 5.593 1.00 0.00 C ATOM 239 C LEU A 36 -8.457 -1.152 5.068 1.00 0.00 C ATOM 240 O LEU A 36 -8.921 -2.230 5.444 1.00 0.00 O ATOM 241 CB LEU A 36 -10.049 0.733 4.604 1.00 0.00 C ATOM 242 CG LEU A 36 -11.403 0.006 4.784 1.00 0.00 C ATOM 243 CD1 LEU A 36 -12.237 0.704 5.867 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.187 0.028 3.469 1.00 0.00 C ATOM 0 H LEU A 36 -8.022 1.996 5.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.494 0.001 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.178 1.803 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.693 0.607 3.582 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.205 -1.024 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.188 0.184 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.694 0.687 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.423 1.737 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.139 -0.486 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.371 1.061 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.610 -0.475 2.693 1.00 0.00 H new ATOM 256 N HIS A 37 -7.463 -1.066 4.195 1.00 0.00 N ATOM 257 CA HIS A 37 -6.849 -2.265 3.639 1.00 0.00 C ATOM 258 C HIS A 37 -6.098 -3.046 4.717 1.00 0.00 C ATOM 259 O HIS A 37 -6.162 -4.274 4.759 1.00 0.00 O ATOM 260 CB HIS A 37 -5.878 -1.890 2.523 1.00 0.00 C ATOM 261 CG HIS A 37 -5.262 -3.139 1.962 1.00 0.00 C ATOM 262 ND1 HIS A 37 -4.456 -4.095 2.528 1.00 0.00 N flip ATOM 263 CD2 HIS A 37 -5.449 -3.532 0.648 1.00 0.00 C flip ATOM 264 CE1 HIS A 37 -4.143 -5.062 1.583 1.00 0.00 C flip ATOM 265 NE2 HIS A 37 -4.764 -4.676 0.469 1.00 0.00 N flip ATOM 0 H HIS A 37 -7.067 -0.188 3.859 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.645 -2.893 3.238 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.401 -1.344 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -5.102 -1.229 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.037 -3.015 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -3.528 -5.939 1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -4.725 -5.186 -0.413 1.00 0.00 H new ATOM 273 N LEU A 38 -5.360 -2.331 5.562 1.00 0.00 N ATOM 274 CA LEU A 38 -4.567 -2.978 6.609 1.00 0.00 C ATOM 275 C LEU A 38 -5.445 -3.776 7.574 1.00 0.00 C ATOM 276 O LEU A 38 -5.119 -4.912 7.916 1.00 0.00 O ATOM 277 CB LEU A 38 -3.750 -1.908 7.381 1.00 0.00 C ATOM 278 CG LEU A 38 -2.254 -2.006 7.041 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.548 -0.720 7.458 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.629 -3.191 7.790 1.00 0.00 C ATOM 0 H LEU A 38 -5.293 -1.313 5.545 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.886 -3.682 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.119 -0.913 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.892 -2.041 8.454 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.141 -2.153 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.488 -0.792 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.985 0.124 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.666 -0.572 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.569 -3.257 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.746 -3.045 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.128 -4.113 7.492 1.00 0.00 H new ATOM 292 N ILE A 39 -6.547 -3.189 8.011 1.00 0.00 N ATOM 293 CA ILE A 39 -7.436 -3.878 8.937 1.00 0.00 C ATOM 294 C ILE A 39 -8.007 -5.137 8.285 1.00 0.00 C ATOM 295 O ILE A 39 -8.120 -6.180 8.924 1.00 0.00 O ATOM 296 CB ILE A 39 -8.556 -2.934 9.379 1.00 0.00 C ATOM 297 CG1 ILE A 39 -9.225 -2.333 8.148 1.00 0.00 C ATOM 298 CG2 ILE A 39 -7.959 -1.809 10.225 1.00 0.00 C ATOM 299 CD1 ILE A 39 -10.394 -1.439 8.564 1.00 0.00 C ATOM 0 H ILE A 39 -6.846 -2.251 7.745 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.871 -4.181 9.819 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.292 -3.486 9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.499 -1.753 7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.581 -3.129 7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.752 -1.133 10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.471 -2.233 11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.228 -1.258 9.634 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.863 -1.016 7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.126 -2.030 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.027 -0.633 9.199 1.00 0.00 H new ATOM 311 N LEU A 40 -8.378 -5.035 7.017 1.00 0.00 N ATOM 312 CA LEU A 40 -8.931 -6.184 6.310 1.00 0.00 C ATOM 313 C LEU A 40 -7.853 -7.235 6.032 1.00 0.00 C ATOM 314 O LEU A 40 -8.082 -8.431 6.214 1.00 0.00 O ATOM 315 CB LEU A 40 -9.579 -5.716 4.995 1.00 0.00 C ATOM 316 CG LEU A 40 -10.979 -5.124 5.275 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.358 -4.139 4.166 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.028 -6.247 5.319 1.00 0.00 C ATOM 0 H LEU A 40 -8.308 -4.182 6.462 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.689 -6.648 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.948 -4.967 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.662 -6.554 4.303 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.953 -4.609 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.346 -3.725 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.626 -3.332 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.372 -4.658 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.011 -5.819 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.045 -6.767 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.773 -6.952 6.110 1.00 0.00 H new ATOM 330 N TRP A 41 -6.681 -6.785 5.583 1.00 0.00 N ATOM 331 CA TRP A 41 -5.582 -7.698 5.278 1.00 0.00 C ATOM 332 C TRP A 41 -4.998 -8.327 6.547 1.00 0.00 C ATOM 333 O TRP A 41 -4.766 -9.538 6.596 1.00 0.00 O ATOM 334 CB TRP A 41 -4.495 -6.950 4.494 1.00 0.00 C ATOM 335 CG TRP A 41 -3.253 -7.779 4.421 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.014 -8.755 3.518 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.064 -7.695 5.256 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.766 -9.295 3.766 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.140 -8.670 4.825 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.705 -6.875 6.341 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.094 -8.829 5.446 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.458 -7.029 6.967 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.437 -8.006 6.518 1.00 0.00 C ATOM 0 H TRP A 41 -6.470 -5.800 5.424 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.973 -8.512 4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.851 -6.724 3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.278 -5.997 4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.687 -9.063 2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.358 -10.062 3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.393 -6.122 6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.783 -9.586 5.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.189 -6.392 7.797 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.395 -8.123 7.002 1.00 0.00 H new ATOM 354 N ILE A 42 -4.743 -7.507 7.556 1.00 0.00 N ATOM 355 CA ILE A 42 -4.168 -8.006 8.801 1.00 0.00 C ATOM 356 C ILE A 42 -5.128 -8.997 9.465 1.00 0.00 C ATOM 357 O ILE A 42 -4.709 -10.031 9.982 1.00 0.00 O ATOM 358 CB ILE A 42 -3.872 -6.826 9.746 1.00 0.00 C ATOM 359 CG1 ILE A 42 -2.909 -7.272 10.867 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.179 -6.321 10.364 1.00 0.00 C ATOM 361 CD1 ILE A 42 -1.455 -7.148 10.392 1.00 0.00 C ATOM 0 H ILE A 42 -4.922 -6.503 7.541 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.235 -8.525 8.583 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.405 -6.024 9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.063 -6.659 11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.121 -8.303 11.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.967 -5.486 11.032 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.852 -5.991 9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.650 -7.126 10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.783 -7.465 11.190 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.303 -7.780 9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.245 -6.111 10.131 1.00 0.00 H new ATOM 373 N LEU A 43 -6.418 -8.671 9.436 1.00 0.00 N ATOM 374 CA LEU A 43 -7.433 -9.536 10.023 1.00 0.00 C ATOM 375 C LEU A 43 -7.468 -10.881 9.300 1.00 0.00 C ATOM 376 O LEU A 43 -7.657 -11.921 9.921 1.00 0.00 O ATOM 377 CB LEU A 43 -8.811 -8.864 9.951 1.00 0.00 C ATOM 378 CG LEU A 43 -8.943 -7.808 11.067 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.205 -6.969 10.829 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.027 -8.493 12.451 1.00 0.00 C ATOM 0 H LEU A 43 -6.782 -7.817 9.014 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.179 -9.707 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.945 -8.394 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.596 -9.613 10.054 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.064 -7.163 11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.299 -6.222 11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.133 -6.470 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.081 -7.618 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.120 -7.734 13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.896 -9.150 12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.124 -9.079 12.622 1.00 0.00 H new ATOM 392 N ASP A 44 -7.289 -10.857 7.985 1.00 0.00 N ATOM 393 CA ASP A 44 -7.309 -12.094 7.210 1.00 0.00 C ATOM 394 C ASP A 44 -6.206 -13.035 7.689 1.00 0.00 C ATOM 395 O ASP A 44 -6.425 -14.238 7.827 1.00 0.00 O ATOM 396 CB ASP A 44 -7.114 -11.781 5.723 1.00 0.00 C ATOM 397 CG ASP A 44 -8.374 -11.128 5.164 1.00 0.00 C ATOM 398 OD1 ASP A 44 -9.399 -11.199 5.822 1.00 0.00 O ATOM 399 OD2 ASP A 44 -8.297 -10.565 4.084 1.00 0.00 O ATOM 0 H ASP A 44 -7.131 -10.010 7.439 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.274 -12.581 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.260 -11.117 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.894 -12.697 5.175 1.00 0.00 H new ATOM 404 N ARG A 45 -5.025 -12.483 7.947 1.00 0.00 N ATOM 405 CA ARG A 45 -3.904 -13.290 8.420 1.00 0.00 C ATOM 406 C ARG A 45 -4.071 -13.667 9.890 1.00 0.00 C ATOM 407 O ARG A 45 -3.450 -14.616 10.369 1.00 0.00 O ATOM 408 CB ARG A 45 -2.595 -12.522 8.240 1.00 0.00 C ATOM 409 CG ARG A 45 -2.258 -12.440 6.752 1.00 0.00 C ATOM 410 CD ARG A 45 -0.970 -11.640 6.570 1.00 0.00 C ATOM 411 NE ARG A 45 -0.616 -11.578 5.156 1.00 0.00 N ATOM 412 CZ ARG A 45 0.103 -12.539 4.584 1.00 0.00 C ATOM 413 NH1 ARG A 45 0.495 -13.569 5.286 1.00 0.00 N ATOM 414 NH2 ARG A 45 0.410 -12.457 3.319 1.00 0.00 N ATOM 0 H ARG A 45 -4.819 -11.490 7.838 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.881 -14.206 7.830 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.687 -11.520 8.659 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.790 -13.021 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.139 -13.441 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.075 -11.965 6.208 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.099 -10.632 6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.162 -12.103 7.136 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.926 -10.783 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.249 -13.636 6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.047 -14.306 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.099 -11.656 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.962 -13.194 2.879 1.00 0.00 H new ATOM 428 N LEU A 46 -4.897 -12.908 10.609 1.00 0.00 N ATOM 429 CA LEU A 46 -5.118 -13.169 12.028 1.00 0.00 C ATOM 430 C LEU A 46 -5.740 -14.545 12.234 1.00 0.00 C ATOM 431 O LEU A 46 -5.320 -15.302 13.109 1.00 0.00 O ATOM 432 CB LEU A 46 -6.036 -12.084 12.619 1.00 0.00 C ATOM 433 CG LEU A 46 -6.221 -12.289 14.149 1.00 0.00 C ATOM 434 CD1 LEU A 46 -6.256 -10.928 14.854 1.00 0.00 C ATOM 435 CD2 LEU A 46 -7.546 -13.021 14.441 1.00 0.00 C ATOM 0 H LEU A 46 -5.419 -12.115 10.236 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.156 -13.147 12.539 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.611 -11.099 12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.007 -12.113 12.124 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.385 -12.885 14.516 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.386 -11.077 15.926 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.320 -10.400 14.672 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.087 -10.339 14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.658 -13.155 15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.379 -12.431 14.060 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.539 -13.995 13.952 1.00 0.00 H new ATOM 447 N PHE A 47 -6.744 -14.863 11.426 1.00 0.00 N ATOM 448 CA PHE A 47 -7.418 -16.151 11.539 1.00 0.00 C ATOM 449 C PHE A 47 -6.449 -17.291 11.246 1.00 0.00 C ATOM 450 O PHE A 47 -6.421 -18.294 11.960 1.00 0.00 O ATOM 451 CB PHE A 47 -8.594 -16.214 10.563 1.00 0.00 C ATOM 452 CG PHE A 47 -9.637 -15.201 10.974 1.00 0.00 C ATOM 453 CD1 PHE A 47 -10.520 -15.485 12.022 1.00 0.00 C ATOM 454 CD2 PHE A 47 -9.716 -13.972 10.307 1.00 0.00 C ATOM 455 CE1 PHE A 47 -11.482 -14.541 12.403 1.00 0.00 C ATOM 456 CE2 PHE A 47 -10.676 -13.029 10.688 1.00 0.00 C ATOM 457 CZ PHE A 47 -11.560 -13.313 11.736 1.00 0.00 C ATOM 0 H PHE A 47 -7.107 -14.254 10.693 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.788 -16.257 12.559 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.251 -16.010 9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.025 -17.215 10.558 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.460 -16.432 12.537 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.035 -13.752 9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.164 -14.761 13.211 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.735 -12.081 10.174 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.302 -12.585 12.030 1.00 0.00 H new ATOM 467 N PHE A 48 -5.657 -17.132 10.189 1.00 0.00 N ATOM 468 CA PHE A 48 -4.686 -18.151 9.799 1.00 0.00 C ATOM 469 C PHE A 48 -3.469 -17.509 9.144 1.00 0.00 C ATOM 470 O PHE A 48 -3.557 -16.418 8.583 1.00 0.00 O ATOM 471 CB PHE A 48 -5.336 -19.137 8.826 1.00 0.00 C ATOM 472 CG PHE A 48 -5.833 -18.393 7.611 1.00 0.00 C ATOM 473 CD1 PHE A 48 -4.994 -18.215 6.503 1.00 0.00 C ATOM 474 CD2 PHE A 48 -7.135 -17.880 7.591 1.00 0.00 C ATOM 475 CE1 PHE A 48 -5.457 -17.523 5.378 1.00 0.00 C ATOM 476 CE2 PHE A 48 -7.598 -17.187 6.464 1.00 0.00 C ATOM 477 CZ PHE A 48 -6.759 -17.010 5.359 1.00 0.00 C ATOM 0 H PHE A 48 -5.668 -16.308 9.588 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.360 -18.682 10.693 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.616 -19.899 8.529 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.163 -19.653 9.313 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.990 -18.612 6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.783 -18.018 8.444 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.810 -17.385 4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.602 -16.790 6.449 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.116 -16.477 4.490 1.00 0.00 H new ATOM 487 N LYS A 49 -2.331 -18.192 9.227 1.00 0.00 N ATOM 488 CA LYS A 49 -1.098 -17.678 8.641 1.00 0.00 C ATOM 489 C LYS A 49 -0.860 -16.235 9.075 1.00 0.00 C ATOM 490 O LYS A 49 -0.705 -15.394 8.205 1.00 0.00 O ATOM 491 CB LYS A 49 -1.173 -17.749 7.115 1.00 0.00 C ATOM 492 CG LYS A 49 -1.175 -19.213 6.672 1.00 0.00 C ATOM 493 CD LYS A 49 -1.269 -19.284 5.147 1.00 0.00 C ATOM 494 CE LYS A 49 -1.287 -20.746 4.702 1.00 0.00 C ATOM 495 NZ LYS A 49 -1.377 -20.814 3.215 1.00 0.00 N ATOM 496 OXT LYS A 49 -0.832 -15.992 10.271 1.00 0.00 O ATOM 0 H LYS A 49 -2.237 -19.096 9.691 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.269 -18.293 8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.075 -17.250 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.325 -17.226 6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.267 -19.709 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.016 -19.740 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.171 -18.778 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.422 -18.766 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.385 -21.253 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.134 -21.263 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.389 -21.809 2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.250 -20.345 2.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.555 -20.335 2.795 1.00 0.00 H new TER 510 LYS A 49 ATOM 511 N SER B 19 -2.833 22.057 -13.512 1.00 0.00 N ATOM 512 CA SER B 19 -2.560 21.356 -12.226 1.00 0.00 C ATOM 513 C SER B 19 -1.436 22.074 -11.488 1.00 0.00 C ATOM 514 O SER B 19 -0.843 23.018 -12.009 1.00 0.00 O ATOM 515 CB SER B 19 -2.156 19.909 -12.514 1.00 0.00 C ATOM 516 OG SER B 19 -3.175 19.279 -13.278 1.00 0.00 O ATOM 0 HA SER B 19 -3.456 21.361 -11.605 1.00 0.00 H new ATOM 0 HB2 SER B 19 -1.211 19.885 -13.057 1.00 0.00 H new ATOM 0 HB3 SER B 19 -2.001 19.370 -11.579 1.00 0.00 H new ATOM 0 HG SER B 19 -3.667 19.956 -13.789 1.00 0.00 H new ATOM 524 N ASN B 20 -1.149 21.621 -10.271 1.00 0.00 N ATOM 525 CA ASN B 20 -0.093 22.229 -9.469 1.00 0.00 C ATOM 526 C ASN B 20 1.272 21.703 -9.897 1.00 0.00 C ATOM 527 O ASN B 20 1.476 20.494 -10.007 1.00 0.00 O ATOM 528 CB ASN B 20 -0.322 21.919 -7.988 1.00 0.00 C ATOM 529 CG ASN B 20 -1.555 22.658 -7.480 1.00 0.00 C ATOM 530 OD1 ASN B 20 -1.818 23.856 -7.925 1.00 0.00 O flip ATOM 531 ND2 ASN B 20 -2.297 22.131 -6.650 1.00 0.00 N flip ATOM 0 H ASN B 20 -1.629 20.841 -9.822 1.00 0.00 H new ATOM 0 HA ASN B 20 -0.118 23.308 -9.622 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -0.450 20.845 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN B 20 0.552 22.214 -7.408 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -2.090 21.194 -6.303 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.118 22.631 -6.310 1.00 0.00 H new ATOM 538 N ASP B 21 2.205 22.619 -10.138 1.00 0.00 N ATOM 539 CA ASP B 21 3.548 22.236 -10.553 1.00 0.00 C ATOM 540 C ASP B 21 4.233 21.417 -9.461 1.00 0.00 C ATOM 541 O ASP B 21 4.905 20.426 -9.745 1.00 0.00 O ATOM 542 CB ASP B 21 4.376 23.486 -10.855 1.00 0.00 C ATOM 543 CG ASP B 21 3.896 24.130 -12.152 1.00 0.00 C ATOM 544 OD1 ASP B 21 3.175 23.474 -12.887 1.00 0.00 O ATOM 545 OD2 ASP B 21 4.255 25.271 -12.393 1.00 0.00 O ATOM 0 H ASP B 21 2.057 23.625 -10.054 1.00 0.00 H new ATOM 0 HA ASP B 21 3.472 21.626 -11.453 1.00 0.00 H new ATOM 0 HB2 ASP B 21 4.290 24.197 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP B 21 5.430 23.222 -10.939 1.00 0.00 H new ATOM 550 N SER B 22 4.057 21.843 -8.213 1.00 0.00 N ATOM 551 CA SER B 22 4.661 21.144 -7.084 1.00 0.00 C ATOM 552 C SER B 22 4.154 19.707 -7.003 1.00 0.00 C ATOM 553 O SER B 22 4.923 18.782 -6.744 1.00 0.00 O ATOM 554 CB SER B 22 4.335 21.875 -5.782 1.00 0.00 C ATOM 555 OG SER B 22 4.870 23.190 -5.835 1.00 0.00 O ATOM 0 H SER B 22 3.505 22.663 -7.960 1.00 0.00 H new ATOM 0 HA SER B 22 5.741 21.126 -7.231 1.00 0.00 H new ATOM 0 HB2 SER B 22 3.256 21.915 -5.634 1.00 0.00 H new ATOM 0 HB3 SER B 22 4.753 21.334 -4.933 1.00 0.00 H new ATOM 0 HG SER B 22 4.661 23.662 -5.002 1.00 0.00 H new ATOM 561 N SER B 23 2.856 19.530 -7.223 1.00 0.00 N ATOM 562 CA SER B 23 2.259 18.200 -7.173 1.00 0.00 C ATOM 563 C SER B 23 2.789 17.345 -8.316 1.00 0.00 C ATOM 564 O SER B 23 2.169 17.249 -9.375 1.00 0.00 O ATOM 565 CB SER B 23 0.737 18.307 -7.277 1.00 0.00 C ATOM 566 OG SER B 23 0.384 18.647 -8.611 1.00 0.00 O ATOM 0 H SER B 23 2.202 20.283 -7.436 1.00 0.00 H new ATOM 0 HA SER B 23 2.524 17.733 -6.224 1.00 0.00 H new ATOM 0 HB2 SER B 23 0.274 17.362 -6.995 1.00 0.00 H new ATOM 0 HB3 SER B 23 0.365 19.063 -6.585 1.00 0.00 H new ATOM 0 HG SER B 23 1.150 19.068 -9.055 1.00 0.00 H new ATOM 572 N ASP B 24 3.949 16.732 -8.098 1.00 0.00 N ATOM 573 CA ASP B 24 4.564 15.894 -9.121 1.00 0.00 C ATOM 574 C ASP B 24 3.596 14.783 -9.554 1.00 0.00 C ATOM 575 O ASP B 24 2.745 14.357 -8.772 1.00 0.00 O ATOM 576 CB ASP B 24 5.862 15.278 -8.570 1.00 0.00 C ATOM 577 CG ASP B 24 7.033 16.244 -8.751 1.00 0.00 C ATOM 578 OD1 ASP B 24 6.972 17.330 -8.197 1.00 0.00 O ATOM 579 OD2 ASP B 24 7.971 15.883 -9.441 1.00 0.00 O ATOM 0 H ASP B 24 4.478 16.799 -7.229 1.00 0.00 H new ATOM 0 HA ASP B 24 4.797 16.508 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP B 24 5.739 15.041 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.073 14.341 -9.085 1.00 0.00 H new ATOM 584 N PRO B 25 3.707 14.308 -10.774 1.00 0.00 N ATOM 585 CA PRO B 25 2.821 13.225 -11.301 1.00 0.00 C ATOM 586 C PRO B 25 3.048 11.894 -10.581 1.00 0.00 C ATOM 587 O PRO B 25 2.193 11.009 -10.617 1.00 0.00 O ATOM 588 CB PRO B 25 3.202 13.130 -12.790 1.00 0.00 C ATOM 589 CG PRO B 25 4.595 13.669 -12.865 1.00 0.00 C ATOM 590 CD PRO B 25 4.688 14.744 -11.785 1.00 0.00 C ATOM 0 HA PRO B 25 1.765 13.446 -11.147 1.00 0.00 H new ATOM 0 HB2 PRO B 25 3.157 12.100 -13.145 1.00 0.00 H new ATOM 0 HB3 PRO B 25 2.520 13.711 -13.410 1.00 0.00 H new ATOM 0 HG2 PRO B 25 5.328 12.881 -12.695 1.00 0.00 H new ATOM 0 HG3 PRO B 25 4.799 14.087 -13.851 1.00 0.00 H new ATOM 0 HD2 PRO B 25 5.693 14.806 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO B 25 4.445 15.731 -12.180 1.00 0.00 H new ATOM 598 N LEU B 26 4.205 11.757 -9.937 1.00 0.00 N ATOM 599 CA LEU B 26 4.527 10.524 -9.225 1.00 0.00 C ATOM 600 C LEU B 26 3.530 10.286 -8.092 1.00 0.00 C ATOM 601 O LEU B 26 3.067 9.167 -7.886 1.00 0.00 O ATOM 602 CB LEU B 26 5.951 10.600 -8.653 1.00 0.00 C ATOM 603 CG LEU B 26 6.301 9.309 -7.894 1.00 0.00 C ATOM 604 CD1 LEU B 26 6.189 8.090 -8.829 1.00 0.00 C ATOM 605 CD2 LEU B 26 7.732 9.419 -7.360 1.00 0.00 C ATOM 0 H LEU B 26 4.927 12.476 -9.894 1.00 0.00 H new ATOM 0 HA LEU B 26 4.467 9.694 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU B 26 6.665 10.758 -9.461 1.00 0.00 H new ATOM 0 HB3 LEU B 26 6.034 11.456 -7.983 1.00 0.00 H new ATOM 0 HG LEU B 26 5.603 9.177 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU B 26 6.440 7.184 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU B 26 5.170 8.014 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU B 26 6.878 8.208 -9.665 1.00 0.00 H new ATOM 0 HD21 LEU B 26 7.990 8.508 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU B 26 8.422 9.555 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU B 26 7.804 10.273 -6.686 1.00 0.00 H new ATOM 617 N VAL B 27 3.212 11.346 -7.357 1.00 0.00 N ATOM 618 CA VAL B 27 2.276 11.238 -6.245 1.00 0.00 C ATOM 619 C VAL B 27 0.894 10.823 -6.747 1.00 0.00 C ATOM 620 O VAL B 27 0.244 9.956 -6.163 1.00 0.00 O ATOM 621 CB VAL B 27 2.179 12.576 -5.511 1.00 0.00 C ATOM 622 CG1 VAL B 27 1.108 12.492 -4.421 1.00 0.00 C ATOM 623 CG2 VAL B 27 3.533 12.900 -4.873 1.00 0.00 C ATOM 0 H VAL B 27 3.585 12.283 -7.510 1.00 0.00 H new ATOM 0 HA VAL B 27 2.642 10.476 -5.557 1.00 0.00 H new ATOM 0 HB VAL B 27 1.909 13.360 -6.219 1.00 0.00 H new ATOM 0 HG11 VAL B 27 1.043 13.448 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.145 12.259 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.373 11.709 -3.710 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.469 13.853 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.800 12.114 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL B 27 4.295 12.964 -5.650 1.00 0.00 H new ATOM 633 N VAL B 28 0.453 11.449 -7.833 1.00 0.00 N ATOM 634 CA VAL B 28 -0.852 11.138 -8.405 1.00 0.00 C ATOM 635 C VAL B 28 -0.903 9.683 -8.863 1.00 0.00 C ATOM 636 O VAL B 28 -1.886 8.983 -8.622 1.00 0.00 O ATOM 637 CB VAL B 28 -1.130 12.062 -9.592 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.463 11.679 -10.237 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.199 13.511 -9.103 1.00 0.00 C ATOM 0 H VAL B 28 0.975 12.169 -8.332 1.00 0.00 H new ATOM 0 HA VAL B 28 -1.613 11.290 -7.639 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.330 11.962 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.661 12.338 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.416 10.647 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.264 11.779 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.397 14.171 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.999 13.610 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.250 13.785 -8.643 1.00 0.00 H new ATOM 649 N ALA B 29 0.158 9.236 -9.526 1.00 0.00 N ATOM 650 CA ALA B 29 0.217 7.862 -10.014 1.00 0.00 C ATOM 651 C ALA B 29 0.104 6.877 -8.855 1.00 0.00 C ATOM 652 O ALA B 29 -0.558 5.847 -8.968 1.00 0.00 O ATOM 653 CB ALA B 29 1.536 7.626 -10.757 1.00 0.00 C ATOM 0 H ALA B 29 0.982 9.799 -9.737 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.618 7.703 -10.696 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.572 6.598 -11.118 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.605 8.310 -11.603 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.372 7.802 -10.080 1.00 0.00 H new ATOM 659 N ALA B 30 0.751 7.198 -7.743 1.00 0.00 N ATOM 660 CA ALA B 30 0.714 6.323 -6.579 1.00 0.00 C ATOM 661 C ALA B 30 -0.722 6.134 -6.102 1.00 0.00 C ATOM 662 O ALA B 30 -1.120 5.031 -5.728 1.00 0.00 O ATOM 663 CB ALA B 30 1.558 6.919 -5.450 1.00 0.00 C ATOM 0 H ALA B 30 1.302 8.048 -7.622 1.00 0.00 H new ATOM 0 HA ALA B 30 1.123 5.353 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.525 6.259 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.590 7.027 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.161 7.897 -5.176 1.00 0.00 H new ATOM 669 N ASN B 31 -1.494 7.214 -6.108 1.00 0.00 N ATOM 670 CA ASN B 31 -2.879 7.141 -5.665 1.00 0.00 C ATOM 671 C ASN B 31 -3.692 6.224 -6.579 1.00 0.00 C ATOM 672 O ASN B 31 -4.442 5.372 -6.106 1.00 0.00 O ATOM 673 CB ASN B 31 -3.498 8.544 -5.672 1.00 0.00 C ATOM 674 CG ASN B 31 -2.980 9.351 -4.486 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.437 8.787 -3.537 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.117 10.649 -4.485 1.00 0.00 N ATOM 0 H ASN B 31 -1.189 8.139 -6.411 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.897 6.734 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.252 9.054 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.585 8.471 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.774 11.197 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.567 11.115 -5.273 1.00 0.00 H new ATOM 683 N ILE B 32 -3.539 6.400 -7.889 1.00 0.00 N ATOM 684 CA ILE B 32 -4.272 5.586 -8.856 1.00 0.00 C ATOM 685 C ILE B 32 -3.866 4.118 -8.738 1.00 0.00 C ATOM 686 O ILE B 32 -4.713 3.226 -8.760 1.00 0.00 O ATOM 687 CB ILE B 32 -3.999 6.091 -10.276 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.609 7.484 -10.441 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.638 5.139 -11.293 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.117 8.110 -11.748 1.00 0.00 C ATOM 0 H ILE B 32 -2.918 7.095 -8.304 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.338 5.670 -8.644 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.923 6.135 -10.445 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.697 7.417 -10.445 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.332 8.115 -9.597 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.442 5.500 -12.303 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.213 4.142 -11.176 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.714 5.096 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.553 9.102 -11.863 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.030 8.192 -11.726 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.417 7.483 -12.587 1.00 0.00 H new ATOM 702 N ILE B 33 -2.567 3.884 -8.613 1.00 0.00 N ATOM 703 CA ILE B 33 -2.050 2.526 -8.488 1.00 0.00 C ATOM 704 C ILE B 33 -2.582 1.868 -7.217 1.00 0.00 C ATOM 705 O ILE B 33 -2.959 0.696 -7.228 1.00 0.00 O ATOM 706 CB ILE B 33 -0.519 2.553 -8.470 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.002 2.979 -9.846 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.018 1.162 -8.139 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.496 3.294 -9.748 1.00 0.00 C ATOM 0 H ILE B 33 -1.854 4.613 -8.595 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.385 1.941 -9.345 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.183 3.262 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.167 2.184 -10.573 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.543 3.855 -10.199 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.108 1.186 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.349 0.854 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.321 0.452 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.869 3.597 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.651 4.103 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.034 2.407 -9.414 1.00 0.00 H new ATOM 721 N GLY B 34 -2.599 2.621 -6.120 1.00 0.00 N ATOM 722 CA GLY B 34 -3.075 2.080 -4.851 1.00 0.00 C ATOM 723 C GLY B 34 -4.469 1.476 -5.003 1.00 0.00 C ATOM 724 O GLY B 34 -4.730 0.377 -4.518 1.00 0.00 O ATOM 0 H GLY B 34 -2.293 3.593 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.382 1.319 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -3.097 2.870 -4.100 1.00 0.00 H new ATOM 728 N ILE B 35 -5.357 2.189 -5.689 1.00 0.00 N ATOM 729 CA ILE B 35 -6.716 1.693 -5.902 1.00 0.00 C ATOM 730 C ILE B 35 -6.695 0.445 -6.786 1.00 0.00 C ATOM 731 O ILE B 35 -7.417 -0.517 -6.532 1.00 0.00 O ATOM 732 CB ILE B 35 -7.584 2.767 -6.559 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.515 4.069 -5.743 1.00 0.00 C ATOM 734 CG2 ILE B 35 -9.035 2.278 -6.641 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.893 3.823 -4.280 1.00 0.00 C ATOM 0 H ILE B 35 -5.166 3.101 -6.103 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.139 1.439 -4.930 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.213 2.961 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -6.508 4.483 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.188 4.809 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.652 3.045 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -9.078 1.365 -7.235 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.408 2.076 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.836 4.760 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -8.909 3.432 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -7.204 3.101 -3.843 1.00 0.00 H new ATOM 747 N LEU B 36 -5.867 0.481 -7.832 1.00 0.00 N ATOM 748 CA LEU B 36 -5.765 -0.644 -8.760 1.00 0.00 C ATOM 749 C LEU B 36 -5.342 -1.910 -8.014 1.00 0.00 C ATOM 750 O LEU B 36 -5.810 -3.012 -8.311 1.00 0.00 O ATOM 751 CB LEU B 36 -4.745 -0.327 -9.867 1.00 0.00 C ATOM 752 CG LEU B 36 -4.996 -1.230 -11.100 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.029 -0.581 -12.029 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.689 -1.432 -11.875 1.00 0.00 C ATOM 0 H LEU B 36 -5.262 1.271 -8.056 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.742 -0.810 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.822 0.722 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.733 -0.482 -9.494 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.371 -2.193 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.197 -1.225 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.967 -0.443 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.658 0.387 -12.365 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.874 -2.068 -12.741 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.311 -0.466 -12.209 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.951 -1.906 -11.227 1.00 0.00 H new ATOM 766 N HIS B 37 -4.455 -1.748 -7.043 1.00 0.00 N ATOM 767 CA HIS B 37 -3.992 -2.884 -6.256 1.00 0.00 C ATOM 768 C HIS B 37 -5.121 -3.454 -5.399 1.00 0.00 C ATOM 769 O HIS B 37 -5.263 -4.670 -5.278 1.00 0.00 O ATOM 770 CB HIS B 37 -2.835 -2.461 -5.349 1.00 0.00 C ATOM 771 CG HIS B 37 -2.372 -3.649 -4.553 1.00 0.00 C ATOM 772 ND1 HIS B 37 -3.008 -4.423 -3.613 1.00 0.00 N flip ATOM 773 CD2 HIS B 37 -1.099 -4.176 -4.681 1.00 0.00 C flip ATOM 774 CE1 HIS B 37 -2.144 -5.413 -3.162 1.00 0.00 C flip ATOM 775 NE2 HIS B 37 -1.010 -5.220 -3.835 1.00 0.00 N flip ATOM 0 H HIS B 37 -4.044 -0.851 -6.782 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.653 -3.654 -6.949 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -2.014 -2.066 -5.947 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.155 -1.662 -4.680 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.321 -3.817 -5.338 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.348 -6.175 -2.424 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.175 -5.794 -3.723 1.00 0.00 H new ATOM 783 N LEU B 38 -5.898 -2.571 -4.778 1.00 0.00 N ATOM 784 CA LEU B 38 -6.986 -3.006 -3.899 1.00 0.00 C ATOM 785 C LEU B 38 -8.024 -3.844 -4.650 1.00 0.00 C ATOM 786 O LEU B 38 -8.452 -4.887 -4.160 1.00 0.00 O ATOM 787 CB LEU B 38 -7.660 -1.767 -3.251 1.00 0.00 C ATOM 788 CG LEU B 38 -7.312 -1.670 -1.758 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.618 -0.265 -1.247 1.00 0.00 C ATOM 790 CD2 LEU B 38 -8.145 -2.686 -0.964 1.00 0.00 C ATOM 0 H LEU B 38 -5.799 -1.559 -4.864 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.559 -3.639 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.335 -0.862 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.741 -1.831 -3.373 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.251 -1.884 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.370 -0.201 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.026 0.461 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.678 -0.051 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.895 -2.614 0.094 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.205 -2.474 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.927 -3.693 -1.320 1.00 0.00 H new ATOM 802 N ILE B 39 -8.421 -3.394 -5.828 1.00 0.00 N ATOM 803 CA ILE B 39 -9.408 -4.129 -6.607 1.00 0.00 C ATOM 804 C ILE B 39 -8.869 -5.507 -6.984 1.00 0.00 C ATOM 805 O ILE B 39 -9.589 -6.500 -6.942 1.00 0.00 O ATOM 806 CB ILE B 39 -9.786 -3.330 -7.855 1.00 0.00 C ATOM 807 CG1 ILE B 39 -8.518 -2.937 -8.607 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.532 -2.064 -7.433 1.00 0.00 C ATOM 809 CD1 ILE B 39 -8.873 -2.194 -9.894 1.00 0.00 C ATOM 0 H ILE B 39 -8.082 -2.536 -6.263 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.304 -4.272 -6.003 1.00 0.00 H new ATOM 0 HB ILE B 39 -10.422 -3.936 -8.500 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -7.893 -2.306 -7.975 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -7.936 -3.828 -8.842 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.804 -1.490 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -11.434 -2.338 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -9.890 -1.460 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.958 -1.920 -10.420 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -9.479 -2.839 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -9.436 -1.293 -9.650 1.00 0.00 H new ATOM 821 N LEU B 40 -7.599 -5.566 -7.366 1.00 0.00 N ATOM 822 CA LEU B 40 -6.994 -6.836 -7.742 1.00 0.00 C ATOM 823 C LEU B 40 -6.789 -7.738 -6.519 1.00 0.00 C ATOM 824 O LEU B 40 -7.069 -8.934 -6.567 1.00 0.00 O ATOM 825 CB LEU B 40 -5.652 -6.579 -8.449 1.00 0.00 C ATOM 826 CG LEU B 40 -5.897 -6.180 -9.921 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.719 -5.356 -10.440 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.044 -7.440 -10.793 1.00 0.00 C ATOM 0 H LEU B 40 -6.976 -4.761 -7.423 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.670 -7.352 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.107 -5.787 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.031 -7.474 -8.405 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.812 -5.590 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.899 -5.078 -11.479 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.612 -4.455 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.805 -5.947 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.216 -7.148 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.132 -8.034 -10.731 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.888 -8.032 -10.438 1.00 0.00 H new ATOM 840 N TRP B 41 -6.297 -7.155 -5.425 1.00 0.00 N ATOM 841 CA TRP B 41 -6.056 -7.916 -4.204 1.00 0.00 C ATOM 842 C TRP B 41 -7.363 -8.346 -3.532 1.00 0.00 C ATOM 843 O TRP B 41 -7.507 -9.501 -3.124 1.00 0.00 O ATOM 844 CB TRP B 41 -5.200 -7.082 -3.238 1.00 0.00 C ATOM 845 CG TRP B 41 -5.180 -7.722 -1.887 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.358 -8.724 -1.508 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.993 -7.395 -0.724 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.635 -9.052 -0.191 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.632 -8.254 0.334 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.003 -6.443 -0.493 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.250 -8.176 1.579 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.623 -6.359 0.764 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.248 -7.225 1.795 1.00 0.00 C ATOM 0 H TRP B 41 -6.060 -6.165 -5.362 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.520 -8.826 -4.472 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.184 -6.995 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.601 -6.071 -3.164 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.609 -9.192 -2.129 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.161 -9.792 0.327 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.303 -5.774 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.959 -8.848 2.373 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.393 -5.622 0.935 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.731 -7.158 2.759 1.00 0.00 H new ATOM 864 N ILE B 42 -8.300 -7.419 -3.404 1.00 0.00 N ATOM 865 CA ILE B 42 -9.574 -7.725 -2.763 1.00 0.00 C ATOM 866 C ILE B 42 -10.326 -8.789 -3.565 1.00 0.00 C ATOM 867 O ILE B 42 -10.919 -9.706 -2.997 1.00 0.00 O ATOM 868 CB ILE B 42 -10.417 -6.442 -2.645 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.561 -6.647 -1.629 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.006 -6.087 -4.015 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.063 -6.352 -0.208 1.00 0.00 C ATOM 0 H ILE B 42 -8.206 -6.457 -3.731 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.387 -8.117 -1.763 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.778 -5.629 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.397 -5.991 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.931 -7.671 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.603 -5.179 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.197 -5.925 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.637 -6.905 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -11.878 -6.500 0.501 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.242 -7.026 0.037 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.715 -5.321 -0.151 1.00 0.00 H new ATOM 883 N LEU B 43 -10.282 -8.663 -4.887 1.00 0.00 N ATOM 884 CA LEU B 43 -10.950 -9.620 -5.764 1.00 0.00 C ATOM 885 C LEU B 43 -10.337 -11.010 -5.598 1.00 0.00 C ATOM 886 O LEU B 43 -11.043 -12.013 -5.629 1.00 0.00 O ATOM 887 CB LEU B 43 -10.836 -9.167 -7.227 1.00 0.00 C ATOM 888 CG LEU B 43 -11.863 -8.056 -7.517 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.571 -7.436 -8.892 1.00 0.00 C ATOM 890 CD2 LEU B 43 -13.300 -8.633 -7.502 1.00 0.00 C ATOM 0 H LEU B 43 -9.793 -7.912 -5.374 1.00 0.00 H new ATOM 0 HA LEU B 43 -12.004 -9.666 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.828 -8.803 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -11.006 -10.013 -7.893 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.784 -7.291 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.297 -6.650 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.567 -7.012 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.642 -8.206 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -14.014 -7.836 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -13.389 -9.407 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.509 -9.063 -6.522 1.00 0.00 H new ATOM 902 N ASP B 44 -9.023 -11.066 -5.421 1.00 0.00 N ATOM 903 CA ASP B 44 -8.350 -12.348 -5.255 1.00 0.00 C ATOM 904 C ASP B 44 -8.893 -13.075 -4.027 1.00 0.00 C ATOM 905 O ASP B 44 -9.130 -14.283 -4.063 1.00 0.00 O ATOM 906 CB ASP B 44 -6.841 -12.133 -5.105 1.00 0.00 C ATOM 907 CG ASP B 44 -6.243 -11.719 -6.445 1.00 0.00 C ATOM 908 OD1 ASP B 44 -6.914 -11.886 -7.450 1.00 0.00 O ATOM 909 OD2 ASP B 44 -5.120 -11.241 -6.449 1.00 0.00 O ATOM 0 H ASP B 44 -8.410 -10.252 -5.389 1.00 0.00 H new ATOM 0 HA ASP B 44 -8.538 -12.958 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP B 44 -6.646 -11.365 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP B 44 -6.367 -13.049 -4.752 1.00 0.00 H new ATOM 914 N ARG B 45 -9.093 -12.332 -2.941 1.00 0.00 N ATOM 915 CA ARG B 45 -9.616 -12.924 -1.713 1.00 0.00 C ATOM 916 C ARG B 45 -11.116 -13.201 -1.825 1.00 0.00 C ATOM 917 O ARG B 45 -11.662 -14.008 -1.073 1.00 0.00 O ATOM 918 CB ARG B 45 -9.363 -11.986 -0.534 1.00 0.00 C ATOM 919 CG ARG B 45 -7.871 -11.976 -0.208 1.00 0.00 C ATOM 920 CD ARG B 45 -7.612 -11.011 0.946 1.00 0.00 C ATOM 921 NE ARG B 45 -6.194 -11.013 1.289 1.00 0.00 N ATOM 922 CZ ARG B 45 -5.695 -11.901 2.144 1.00 0.00 C ATOM 923 NH1 ARG B 45 -6.475 -12.799 2.684 1.00 0.00 N ATOM 924 NH2 ARG B 45 -4.426 -11.882 2.439 1.00 0.00 N ATOM 0 H ARG B 45 -8.904 -11.331 -2.886 1.00 0.00 H new ATOM 0 HA ARG B 45 -9.100 -13.871 -1.552 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -9.701 -10.979 -0.777 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -9.935 -12.313 0.335 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -7.539 -12.979 0.060 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -7.298 -11.675 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -7.926 -10.005 0.667 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -8.205 -11.301 1.813 1.00 0.00 H new ATOM 0 HE ARG B 45 -5.575 -10.322 0.866 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -7.468 -12.819 2.450 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -6.091 -13.480 3.340 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -3.814 -11.185 2.014 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.045 -12.564 3.095 1.00 0.00 H new ATOM 938 N LEU B 46 -11.778 -12.518 -2.756 1.00 0.00 N ATOM 939 CA LEU B 46 -13.216 -12.694 -2.938 1.00 0.00 C ATOM 940 C LEU B 46 -13.538 -14.125 -3.348 1.00 0.00 C ATOM 941 O LEU B 46 -14.469 -14.737 -2.824 1.00 0.00 O ATOM 942 CB LEU B 46 -13.727 -11.712 -4.007 1.00 0.00 C ATOM 943 CG LEU B 46 -15.271 -11.819 -4.165 1.00 0.00 C ATOM 944 CD1 LEU B 46 -15.864 -10.426 -4.404 1.00 0.00 C ATOM 945 CD2 LEU B 46 -15.633 -12.713 -5.367 1.00 0.00 C ATOM 0 H LEU B 46 -11.347 -11.845 -3.390 1.00 0.00 H new ATOM 0 HA LEU B 46 -13.714 -12.490 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU B 46 -13.455 -10.693 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU B 46 -13.244 -11.923 -4.961 1.00 0.00 H new ATOM 0 HG LEU B 46 -15.677 -12.254 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU B 46 -16.946 -10.505 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU B 46 -15.632 -9.781 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU B 46 -15.437 -10.000 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU B 46 -16.717 -12.775 -5.461 1.00 0.00 H new ATOM 0 HD22 LEU B 46 -15.214 -12.285 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU B 46 -15.224 -13.712 -5.214 1.00 0.00 H new ATOM 957 N PHE B 47 -12.769 -14.653 -4.292 1.00 0.00 N ATOM 958 CA PHE B 47 -12.991 -16.014 -4.768 1.00 0.00 C ATOM 959 C PHE B 47 -12.783 -17.017 -3.641 1.00 0.00 C ATOM 960 O PHE B 47 -13.573 -17.944 -3.466 1.00 0.00 O ATOM 961 CB PHE B 47 -12.037 -16.329 -5.920 1.00 0.00 C ATOM 962 CG PHE B 47 -12.374 -15.453 -7.103 1.00 0.00 C ATOM 963 CD1 PHE B 47 -13.450 -15.781 -7.937 1.00 0.00 C ATOM 964 CD2 PHE B 47 -11.611 -14.309 -7.362 1.00 0.00 C ATOM 965 CE1 PHE B 47 -13.763 -14.962 -9.029 1.00 0.00 C ATOM 966 CE2 PHE B 47 -11.924 -13.490 -8.455 1.00 0.00 C ATOM 967 CZ PHE B 47 -13.001 -13.817 -9.287 1.00 0.00 C ATOM 0 H PHE B 47 -11.993 -14.166 -4.740 1.00 0.00 H new ATOM 0 HA PHE B 47 -14.020 -16.091 -5.120 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -11.006 -16.159 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -12.118 -17.380 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -14.038 -16.665 -7.738 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -10.780 -14.057 -6.719 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -14.593 -15.214 -9.672 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -11.335 -12.607 -8.655 1.00 0.00 H new ATOM 0 HZ PHE B 47 -13.244 -13.185 -10.129 1.00 0.00 H new ATOM 977 N PHE B 48 -11.709 -16.826 -2.877 1.00 0.00 N ATOM 978 CA PHE B 48 -11.393 -17.721 -1.766 1.00 0.00 C ATOM 979 C PHE B 48 -10.679 -16.958 -0.656 1.00 0.00 C ATOM 980 O PHE B 48 -10.034 -15.941 -0.904 1.00 0.00 O ATOM 981 CB PHE B 48 -10.509 -18.869 -2.258 1.00 0.00 C ATOM 982 CG PHE B 48 -9.241 -18.306 -2.860 1.00 0.00 C ATOM 983 CD1 PHE B 48 -9.194 -17.993 -4.222 1.00 0.00 C ATOM 984 CD2 PHE B 48 -8.115 -18.097 -2.055 1.00 0.00 C ATOM 985 CE1 PHE B 48 -8.022 -17.474 -4.781 1.00 0.00 C ATOM 986 CE2 PHE B 48 -6.942 -17.576 -2.615 1.00 0.00 C ATOM 987 CZ PHE B 48 -6.895 -17.264 -3.977 1.00 0.00 C ATOM 0 H PHE B 48 -11.045 -16.062 -3.006 1.00 0.00 H new ATOM 0 HA PHE B 48 -12.323 -18.128 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE B 48 -10.267 -19.536 -1.431 1.00 0.00 H new ATOM 0 HB3 PHE B 48 -11.044 -19.462 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE B 48 -10.063 -18.152 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE B 48 -8.151 -18.337 -1.003 1.00 0.00 H new ATOM 0 HE1 PHE B 48 -7.986 -17.235 -5.834 1.00 0.00 H new ATOM 0 HE2 PHE B 48 -6.073 -17.415 -1.994 1.00 0.00 H new ATOM 0 HZ PHE B 48 -5.990 -16.861 -4.409 1.00 0.00 H new ATOM 997 N LYS B 49 -10.800 -17.459 0.569 1.00 0.00 N ATOM 998 CA LYS B 49 -10.162 -16.817 1.713 1.00 0.00 C ATOM 999 C LYS B 49 -10.475 -15.325 1.734 1.00 0.00 C ATOM 1000 O LYS B 49 -9.540 -14.542 1.770 1.00 0.00 O ATOM 1001 CB LYS B 49 -8.648 -17.022 1.649 1.00 0.00 C ATOM 1002 CG LYS B 49 -8.322 -18.501 1.867 1.00 0.00 C ATOM 1003 CD LYS B 49 -6.808 -18.707 1.790 1.00 0.00 C ATOM 1004 CE LYS B 49 -6.483 -20.188 1.989 1.00 0.00 C ATOM 1005 NZ LYS B 49 -5.007 -20.387 1.912 1.00 0.00 N ATOM 1006 OXT LYS B 49 -11.648 -14.985 1.711 1.00 0.00 O ATOM 0 H LYS B 49 -11.330 -18.301 0.794 1.00 0.00 H new ATOM 0 HA LYS B 49 -10.552 -17.271 2.624 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -8.267 -16.694 0.682 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -8.156 -16.415 2.409 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -8.695 -18.827 2.838 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -8.821 -19.109 1.113 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -6.433 -18.368 0.824 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -6.310 -18.109 2.553 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -6.857 -20.527 2.955 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -6.982 -20.787 1.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -4.785 -21.394 2.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -4.663 -20.079 0.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -4.542 -19.827 2.655 1.00 0.00 H new TER 1020 LYS B 49 ATOM 1021 N SER C 19 15.216 20.186 -5.616 1.00 0.00 N ATOM 1022 CA SER C 19 13.880 19.639 -5.242 1.00 0.00 C ATOM 1023 C SER C 19 13.223 20.563 -4.223 1.00 0.00 C ATOM 1024 O SER C 19 13.831 21.530 -3.765 1.00 0.00 O ATOM 1025 CB SER C 19 14.055 18.242 -4.644 1.00 0.00 C ATOM 1026 OG SER C 19 14.748 17.417 -5.572 1.00 0.00 O ATOM 0 HA SER C 19 13.246 19.574 -6.126 1.00 0.00 H new ATOM 0 HB2 SER C 19 14.610 18.302 -3.708 1.00 0.00 H new ATOM 0 HB3 SER C 19 13.082 17.809 -4.411 1.00 0.00 H new ATOM 0 HG SER C 19 15.431 17.947 -6.034 1.00 0.00 H new ATOM 1034 N ASN C 20 11.977 20.261 -3.874 1.00 0.00 N ATOM 1035 CA ASN C 20 11.246 21.074 -2.908 1.00 0.00 C ATOM 1036 C ASN C 20 11.651 20.703 -1.485 1.00 0.00 C ATOM 1037 O ASN C 20 11.661 19.528 -1.117 1.00 0.00 O ATOM 1038 CB ASN C 20 9.741 20.860 -3.083 1.00 0.00 C ATOM 1039 CG ASN C 20 9.276 21.464 -4.406 1.00 0.00 C ATOM 1040 OD1 ASN C 20 9.816 22.572 -4.834 1.00 0.00 O flip ATOM 1041 ND2 ASN C 20 8.392 20.912 -5.061 1.00 0.00 N flip ATOM 0 H ASN C 20 11.455 19.466 -4.242 1.00 0.00 H new ATOM 0 HA ASN C 20 11.488 22.122 -3.082 1.00 0.00 H new ATOM 0 HB2 ASN C 20 9.512 19.795 -3.060 1.00 0.00 H new ATOM 0 HB3 ASN C 20 9.202 21.320 -2.255 1.00 0.00 H new ATOM 0 HD21 ASN C 20 7.972 20.046 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN C 20 8.079 21.321 -5.942 1.00 0.00 H new ATOM 1048 N ASP C 21 11.983 21.712 -0.688 1.00 0.00 N ATOM 1049 CA ASP C 21 12.386 21.483 0.694 1.00 0.00 C ATOM 1050 C ASP C 21 11.240 20.864 1.489 1.00 0.00 C ATOM 1051 O ASP C 21 11.449 19.951 2.289 1.00 0.00 O ATOM 1052 CB ASP C 21 12.808 22.804 1.339 1.00 0.00 C ATOM 1053 CG ASP C 21 14.147 23.261 0.770 1.00 0.00 C ATOM 1054 OD1 ASP C 21 14.811 22.451 0.143 1.00 0.00 O ATOM 1055 OD2 ASP C 21 14.490 24.415 0.967 1.00 0.00 O ATOM 0 H ASP C 21 11.981 22.691 -0.973 1.00 0.00 H new ATOM 0 HA ASP C 21 13.229 20.793 0.700 1.00 0.00 H new ATOM 0 HB2 ASP C 21 12.049 23.565 1.158 1.00 0.00 H new ATOM 0 HB3 ASP C 21 12.886 22.682 2.419 1.00 0.00 H new ATOM 1060 N SER C 22 10.031 21.366 1.260 1.00 0.00 N ATOM 1061 CA SER C 22 8.855 20.856 1.962 1.00 0.00 C ATOM 1062 C SER C 22 8.644 19.378 1.655 1.00 0.00 C ATOM 1063 O SER C 22 8.321 18.591 2.545 1.00 0.00 O ATOM 1064 CB SER C 22 7.615 21.647 1.541 1.00 0.00 C ATOM 1065 OG SER C 22 7.785 23.012 1.899 1.00 0.00 O ATOM 0 H SER C 22 9.839 22.119 0.600 1.00 0.00 H new ATOM 0 HA SER C 22 9.017 20.972 3.034 1.00 0.00 H new ATOM 0 HB2 SER C 22 7.460 21.558 0.466 1.00 0.00 H new ATOM 0 HB3 SER C 22 6.728 21.240 2.026 1.00 0.00 H new ATOM 0 HG SER C 22 6.993 23.522 1.629 1.00 0.00 H new ATOM 1071 N SER C 23 8.827 19.006 0.392 1.00 0.00 N ATOM 1072 CA SER C 23 8.654 17.618 -0.017 1.00 0.00 C ATOM 1073 C SER C 23 9.731 16.748 0.621 1.00 0.00 C ATOM 1074 O SER C 23 10.766 16.478 0.013 1.00 0.00 O ATOM 1075 CB SER C 23 8.742 17.507 -1.539 1.00 0.00 C ATOM 1076 OG SER C 23 10.095 17.685 -1.944 1.00 0.00 O ATOM 0 H SER C 23 9.093 19.641 -0.360 1.00 0.00 H new ATOM 0 HA SER C 23 7.673 17.275 0.312 1.00 0.00 H new ATOM 0 HB2 SER C 23 8.377 16.533 -1.866 1.00 0.00 H new ATOM 0 HB3 SER C 23 8.108 18.259 -2.008 1.00 0.00 H new ATOM 0 HG SER C 23 10.665 17.770 -1.152 1.00 0.00 H new ATOM 1082 N ASP C 24 9.480 16.318 1.853 1.00 0.00 N ATOM 1083 CA ASP C 24 10.438 15.487 2.571 1.00 0.00 C ATOM 1084 C ASP C 24 10.760 14.221 1.761 1.00 0.00 C ATOM 1085 O ASP C 24 9.931 13.752 0.982 1.00 0.00 O ATOM 1086 CB ASP C 24 9.858 15.103 3.943 1.00 0.00 C ATOM 1087 CG ASP C 24 10.139 16.200 4.971 1.00 0.00 C ATOM 1088 OD1 ASP C 24 9.674 17.310 4.764 1.00 0.00 O ATOM 1089 OD2 ASP C 24 10.813 15.913 5.945 1.00 0.00 O ATOM 0 H ASP C 24 8.628 16.529 2.372 1.00 0.00 H new ATOM 0 HA ASP C 24 11.361 16.050 2.714 1.00 0.00 H new ATOM 0 HB2 ASP C 24 8.783 14.943 3.858 1.00 0.00 H new ATOM 0 HB3 ASP C 24 10.295 14.162 4.278 1.00 0.00 H new ATOM 1094 N PRO C 25 11.938 13.662 1.933 1.00 0.00 N ATOM 1095 CA PRO C 25 12.357 12.428 1.199 1.00 0.00 C ATOM 1096 C PRO C 25 11.530 11.208 1.608 1.00 0.00 C ATOM 1097 O PRO C 25 11.475 10.216 0.881 1.00 0.00 O ATOM 1098 CB PRO C 25 13.839 12.256 1.584 1.00 0.00 C ATOM 1099 CG PRO C 25 13.981 12.971 2.890 1.00 0.00 C ATOM 1100 CD PRO C 25 12.997 14.138 2.839 1.00 0.00 C ATOM 0 HA PRO C 25 12.207 12.518 0.123 1.00 0.00 H new ATOM 0 HB2 PRO C 25 14.103 11.203 1.679 1.00 0.00 H new ATOM 0 HB3 PRO C 25 14.496 12.682 0.826 1.00 0.00 H new ATOM 0 HG2 PRO C 25 13.756 12.307 3.725 1.00 0.00 H new ATOM 0 HG3 PRO C 25 15.002 13.327 3.031 1.00 0.00 H new ATOM 0 HD2 PRO C 25 12.603 14.373 3.828 1.00 0.00 H new ATOM 0 HD3 PRO C 25 13.470 15.044 2.461 1.00 0.00 H new ATOM 1108 N LEU C 26 10.896 11.283 2.778 1.00 0.00 N ATOM 1109 CA LEU C 26 10.085 10.171 3.266 1.00 0.00 C ATOM 1110 C LEU C 26 8.921 9.900 2.316 1.00 0.00 C ATOM 1111 O LEU C 26 8.612 8.750 2.009 1.00 0.00 O ATOM 1112 CB LEU C 26 9.543 10.489 4.667 1.00 0.00 C ATOM 1113 CG LEU C 26 8.681 9.326 5.194 1.00 0.00 C ATOM 1114 CD1 LEU C 26 9.506 8.027 5.244 1.00 0.00 C ATOM 1115 CD2 LEU C 26 8.181 9.676 6.597 1.00 0.00 C ATOM 0 H LEU C 26 10.928 12.092 3.398 1.00 0.00 H new ATOM 0 HA LEU C 26 10.714 9.282 3.315 1.00 0.00 H new ATOM 0 HB2 LEU C 26 10.372 10.672 5.350 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.949 11.403 4.634 1.00 0.00 H new ATOM 0 HG LEU C 26 7.834 9.172 4.525 1.00 0.00 H new ATOM 0 HD11 LEU C 26 8.883 7.215 5.618 1.00 0.00 H new ATOM 0 HD12 LEU C 26 9.859 7.782 4.242 1.00 0.00 H new ATOM 0 HD13 LEU C 26 10.361 8.164 5.907 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.569 8.859 6.980 1.00 0.00 H new ATOM 0 HD22 LEU C 26 9.033 9.832 7.259 1.00 0.00 H new ATOM 0 HD23 LEU C 26 7.584 10.587 6.554 1.00 0.00 H new ATOM 1127 N VAL C 27 8.274 10.968 1.858 1.00 0.00 N ATOM 1128 CA VAL C 27 7.141 10.830 0.948 1.00 0.00 C ATOM 1129 C VAL C 27 7.586 10.188 -0.364 1.00 0.00 C ATOM 1130 O VAL C 27 6.921 9.295 -0.889 1.00 0.00 O ATOM 1131 CB VAL C 27 6.525 12.202 0.674 1.00 0.00 C ATOM 1132 CG1 VAL C 27 5.414 12.068 -0.371 1.00 0.00 C ATOM 1133 CG2 VAL C 27 5.939 12.760 1.973 1.00 0.00 C ATOM 0 H VAL C 27 8.512 11.930 2.099 1.00 0.00 H new ATOM 0 HA VAL C 27 6.394 10.188 1.414 1.00 0.00 H new ATOM 0 HB VAL C 27 7.293 12.878 0.298 1.00 0.00 H new ATOM 0 HG11 VAL C 27 4.976 13.047 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL C 27 5.830 11.667 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL C 27 4.643 11.394 0.002 1.00 0.00 H new ATOM 0 HG21 VAL C 27 5.498 13.739 1.783 1.00 0.00 H new ATOM 0 HG22 VAL C 27 5.171 12.083 2.346 1.00 0.00 H new ATOM 0 HG23 VAL C 27 6.730 12.857 2.717 1.00 0.00 H new ATOM 1143 N VAL C 28 8.714 10.653 -0.891 1.00 0.00 N ATOM 1144 CA VAL C 28 9.238 10.121 -2.142 1.00 0.00 C ATOM 1145 C VAL C 28 9.570 8.638 -1.997 1.00 0.00 C ATOM 1146 O VAL C 28 9.256 7.835 -2.876 1.00 0.00 O ATOM 1147 CB VAL C 28 10.494 10.891 -2.550 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.084 10.278 -3.820 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.130 12.355 -2.813 1.00 0.00 C ATOM 0 H VAL C 28 9.279 11.392 -0.474 1.00 0.00 H new ATOM 0 HA VAL C 28 8.476 10.236 -2.913 1.00 0.00 H new ATOM 0 HB VAL C 28 11.229 10.835 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.979 10.829 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.344 9.236 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.350 10.331 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.024 12.906 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.394 12.408 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.712 12.794 -1.907 1.00 0.00 H new ATOM 1159 N ALA C 29 10.209 8.284 -0.887 1.00 0.00 N ATOM 1160 CA ALA C 29 10.580 6.893 -0.645 1.00 0.00 C ATOM 1161 C ALA C 29 9.341 6.006 -0.617 1.00 0.00 C ATOM 1162 O ALA C 29 9.357 4.891 -1.132 1.00 0.00 O ATOM 1163 CB ALA C 29 11.323 6.777 0.690 1.00 0.00 C ATOM 0 H ALA C 29 10.479 8.933 -0.147 1.00 0.00 H new ATOM 0 HA ALA C 29 11.231 6.563 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.597 5.737 0.865 1.00 0.00 H new ATOM 0 HB2 ALA C 29 12.224 7.389 0.659 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.677 7.122 1.497 1.00 0.00 H new ATOM 1169 N ALA C 30 8.270 6.505 -0.014 1.00 0.00 N ATOM 1170 CA ALA C 30 7.036 5.736 0.071 1.00 0.00 C ATOM 1171 C ALA C 30 6.520 5.398 -1.321 1.00 0.00 C ATOM 1172 O ALA C 30 6.048 4.287 -1.563 1.00 0.00 O ATOM 1173 CB ALA C 30 5.975 6.537 0.834 1.00 0.00 C ATOM 0 H ALA C 30 8.230 7.428 0.419 1.00 0.00 H new ATOM 0 HA ALA C 30 7.242 4.807 0.603 1.00 0.00 H new ATOM 0 HB1 ALA C 30 5.054 5.957 0.894 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.335 6.752 1.840 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.780 7.473 0.311 1.00 0.00 H new ATOM 1179 N ASN C 31 6.606 6.358 -2.233 1.00 0.00 N ATOM 1180 CA ASN C 31 6.136 6.137 -3.595 1.00 0.00 C ATOM 1181 C ASN C 31 6.956 5.044 -4.282 1.00 0.00 C ATOM 1182 O ASN C 31 6.399 4.144 -4.907 1.00 0.00 O ATOM 1183 CB ASN C 31 6.250 7.437 -4.398 1.00 0.00 C ATOM 1184 CG ASN C 31 5.146 8.407 -3.993 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.160 8.003 -3.375 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.252 9.669 -4.307 1.00 0.00 N ATOM 0 H ASN C 31 6.992 7.286 -2.058 1.00 0.00 H new ATOM 0 HA ASN C 31 5.094 5.818 -3.552 1.00 0.00 H new ATOM 0 HB2 ASN C 31 7.225 7.893 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.181 7.221 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.517 10.324 -4.041 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.070 10.000 -4.819 1.00 0.00 H new ATOM 1193 N ILE C 32 8.278 5.126 -4.159 1.00 0.00 N ATOM 1194 CA ILE C 32 9.159 4.139 -4.778 1.00 0.00 C ATOM 1195 C ILE C 32 8.925 2.758 -4.177 1.00 0.00 C ATOM 1196 O ILE C 32 8.858 1.759 -4.894 1.00 0.00 O ATOM 1197 CB ILE C 32 10.623 4.550 -4.584 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.895 5.829 -5.379 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.545 3.437 -5.090 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.258 6.399 -4.983 1.00 0.00 C ATOM 0 H ILE C 32 8.761 5.860 -3.640 1.00 0.00 H new ATOM 0 HA ILE C 32 8.935 4.096 -5.844 1.00 0.00 H new ATOM 0 HB ILE C 32 10.813 4.723 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.875 5.616 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.113 6.563 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.584 3.734 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.351 2.521 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.357 3.262 -6.149 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.450 7.310 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.261 6.628 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE C 32 13.036 5.666 -5.199 1.00 0.00 H new ATOM 1212 N ILE C 33 8.801 2.714 -2.858 1.00 0.00 N ATOM 1213 CA ILE C 33 8.571 1.455 -2.161 1.00 0.00 C ATOM 1214 C ILE C 33 7.240 0.843 -2.593 1.00 0.00 C ATOM 1215 O ILE C 33 7.146 -0.366 -2.808 1.00 0.00 O ATOM 1216 CB ILE C 33 8.581 1.693 -0.647 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.996 2.059 -0.194 1.00 0.00 C ATOM 1218 CG2 ILE C 33 8.134 0.424 0.074 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.950 2.577 1.244 1.00 0.00 C ATOM 0 H ILE C 33 8.855 3.532 -2.250 1.00 0.00 H new ATOM 0 HA ILE C 33 9.369 0.757 -2.417 1.00 0.00 H new ATOM 0 HB ILE C 33 7.899 2.509 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.647 1.187 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.416 2.819 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE C 33 8.142 0.595 1.150 1.00 0.00 H new ATOM 0 HG22 ILE C 33 7.125 0.161 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.815 -0.391 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.957 2.838 1.569 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.312 3.460 1.293 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.548 1.803 1.897 1.00 0.00 H new ATOM 1231 N GLY C 34 6.211 1.675 -2.705 1.00 0.00 N ATOM 1232 CA GLY C 34 4.893 1.185 -3.097 1.00 0.00 C ATOM 1233 C GLY C 34 4.970 0.387 -4.395 1.00 0.00 C ATOM 1234 O GLY C 34 4.390 -0.691 -4.501 1.00 0.00 O ATOM 0 H GLY C 34 6.261 2.679 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.484 0.558 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.211 2.026 -3.223 1.00 0.00 H new ATOM 1238 N ILE C 35 5.699 0.912 -5.376 1.00 0.00 N ATOM 1239 CA ILE C 35 5.846 0.218 -6.655 1.00 0.00 C ATOM 1240 C ILE C 35 6.623 -1.086 -6.467 1.00 0.00 C ATOM 1241 O ILE C 35 6.276 -2.113 -7.050 1.00 0.00 O ATOM 1242 CB ILE C 35 6.576 1.104 -7.666 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.872 2.468 -7.773 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.595 0.416 -9.036 1.00 0.00 C ATOM 1245 CD1 ILE C 35 4.386 2.296 -8.110 1.00 0.00 C ATOM 0 H ILE C 35 6.192 1.803 -5.314 1.00 0.00 H new ATOM 0 HA ILE C 35 4.849 -0.009 -7.034 1.00 0.00 H new ATOM 0 HB ILE C 35 7.601 1.261 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.975 3.009 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.355 3.071 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.116 1.050 -9.754 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.111 -0.541 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.572 0.250 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE C 35 3.913 3.276 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE C 35 4.287 1.777 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE C 35 3.900 1.713 -7.327 1.00 0.00 H new ATOM 1257 N LEU C 36 7.681 -1.029 -5.658 1.00 0.00 N ATOM 1258 CA LEU C 36 8.514 -2.203 -5.406 1.00 0.00 C ATOM 1259 C LEU C 36 7.667 -3.334 -4.812 1.00 0.00 C ATOM 1260 O LEU C 36 7.863 -4.508 -5.125 1.00 0.00 O ATOM 1261 CB LEU C 36 9.660 -1.848 -4.443 1.00 0.00 C ATOM 1262 CG LEU C 36 10.805 -2.880 -4.574 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.772 -2.454 -5.687 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.580 -2.970 -3.255 1.00 0.00 C ATOM 0 H LEU C 36 7.980 -0.186 -5.168 1.00 0.00 H new ATOM 0 HA LEU C 36 8.939 -2.536 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.034 -0.848 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.291 -1.831 -3.417 1.00 0.00 H new ATOM 0 HG LEU C 36 10.372 -3.851 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.575 -3.187 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU C 36 11.234 -2.394 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.195 -1.478 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.385 -3.699 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.002 -1.994 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.906 -3.281 -2.457 1.00 0.00 H new ATOM 1276 N HIS C 37 6.729 -2.971 -3.951 1.00 0.00 N ATOM 1277 CA HIS C 37 5.855 -3.959 -3.334 1.00 0.00 C ATOM 1278 C HIS C 37 4.935 -4.601 -4.372 1.00 0.00 C ATOM 1279 O HIS C 37 4.710 -5.811 -4.346 1.00 0.00 O ATOM 1280 CB HIS C 37 5.005 -3.306 -2.245 1.00 0.00 C ATOM 1281 CG HIS C 37 4.116 -4.343 -1.621 1.00 0.00 C ATOM 1282 ND1 HIS C 37 3.106 -5.116 -2.141 1.00 0.00 N flip ATOM 1283 CD2 HIS C 37 4.210 -4.693 -0.286 1.00 0.00 C flip ATOM 1284 CE1 HIS C 37 2.580 -5.927 -1.145 1.00 0.00 C flip ATOM 1285 NE2 HIS C 37 3.279 -5.635 -0.050 1.00 0.00 N flip ATOM 0 H HIS C 37 6.553 -2.008 -3.665 1.00 0.00 H new ATOM 0 HA HIS C 37 6.484 -4.732 -2.894 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.647 -2.857 -1.487 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.403 -2.503 -2.670 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.903 -4.285 0.434 1.00 0.00 H new ATOM 0 HE1 HIS C 37 1.776 -6.642 -1.238 1.00 0.00 H new ATOM 0 HE2 HIS C 37 3.127 -6.073 0.859 1.00 0.00 H new ATOM 1293 N LEU C 38 4.377 -3.783 -5.260 1.00 0.00 N ATOM 1294 CA LEU C 38 3.449 -4.283 -6.275 1.00 0.00 C ATOM 1295 C LEU C 38 4.109 -5.318 -7.188 1.00 0.00 C ATOM 1296 O LEU C 38 3.525 -6.362 -7.469 1.00 0.00 O ATOM 1297 CB LEU C 38 2.898 -3.096 -7.113 1.00 0.00 C ATOM 1298 CG LEU C 38 1.422 -2.824 -6.775 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.029 -1.434 -7.273 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.535 -3.872 -7.459 1.00 0.00 C ATOM 0 H LEU C 38 4.548 -2.778 -5.299 1.00 0.00 H new ATOM 0 HA LEU C 38 2.625 -4.780 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.491 -2.202 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.997 -3.319 -8.175 1.00 0.00 H new ATOM 0 HG LEU C 38 1.287 -2.878 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU C 38 -0.017 -1.244 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.655 -0.684 -6.790 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.168 -1.382 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.510 -3.677 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.675 -3.818 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.809 -4.866 -7.107 1.00 0.00 H new ATOM 1312 N ILE C 39 5.315 -5.030 -7.650 1.00 0.00 N ATOM 1313 CA ILE C 39 6.014 -5.957 -8.528 1.00 0.00 C ATOM 1314 C ILE C 39 6.282 -7.277 -7.805 1.00 0.00 C ATOM 1315 O ILE C 39 6.146 -8.350 -8.385 1.00 0.00 O ATOM 1316 CB ILE C 39 7.321 -5.327 -9.015 1.00 0.00 C ATOM 1317 CG1 ILE C 39 8.119 -4.831 -7.815 1.00 0.00 C ATOM 1318 CG2 ILE C 39 6.998 -4.141 -9.924 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.462 -4.258 -8.269 1.00 0.00 C ATOM 0 H ILE C 39 5.826 -4.173 -7.436 1.00 0.00 H new ATOM 0 HA ILE C 39 5.387 -6.168 -9.394 1.00 0.00 H new ATOM 0 HB ILE C 39 7.903 -6.068 -9.564 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.552 -4.067 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE C 39 8.284 -5.651 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE C 39 7.925 -3.688 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE C 39 6.417 -4.486 -10.779 1.00 0.00 H new ATOM 0 HG23 ILE C 39 6.421 -3.403 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE C 39 10.020 -3.908 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.034 -5.032 -8.780 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.290 -3.425 -8.950 1.00 0.00 H new ATOM 1331 N LEU C 40 6.674 -7.196 -6.541 1.00 0.00 N ATOM 1332 CA LEU C 40 6.951 -8.400 -5.767 1.00 0.00 C ATOM 1333 C LEU C 40 5.658 -9.154 -5.439 1.00 0.00 C ATOM 1334 O LEU C 40 5.600 -10.377 -5.551 1.00 0.00 O ATOM 1335 CB LEU C 40 7.699 -8.024 -4.478 1.00 0.00 C ATOM 1336 CG LEU C 40 9.195 -7.793 -4.783 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.803 -6.864 -3.726 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.953 -9.131 -4.759 1.00 0.00 C ATOM 0 H LEU C 40 6.806 -6.321 -6.034 1.00 0.00 H new ATOM 0 HA LEU C 40 7.578 -9.062 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.264 -7.123 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.588 -8.818 -3.739 1.00 0.00 H new ATOM 0 HG LEU C 40 9.282 -7.340 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.859 -6.704 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.281 -5.907 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.702 -7.319 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.007 -8.956 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.856 -9.587 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.534 -9.800 -5.511 1.00 0.00 H new ATOM 1350 N TRP C 41 4.628 -8.418 -5.023 1.00 0.00 N ATOM 1351 CA TRP C 41 3.348 -9.030 -4.672 1.00 0.00 C ATOM 1352 C TRP C 41 2.623 -9.576 -5.907 1.00 0.00 C ATOM 1353 O TRP C 41 2.116 -10.700 -5.890 1.00 0.00 O ATOM 1354 CB TRP C 41 2.472 -8.004 -3.937 1.00 0.00 C ATOM 1355 CG TRP C 41 1.071 -8.515 -3.827 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.619 -9.357 -2.872 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.071 -8.203 -4.673 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.723 -9.606 -3.098 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.194 -8.911 -4.194 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.238 -7.384 -5.804 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.433 -8.814 -4.811 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.492 -7.278 -6.426 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.585 -7.994 -5.930 1.00 0.00 C ATOM 0 H TRP C 41 4.654 -7.403 -4.921 1.00 0.00 H new ATOM 0 HA TRP C 41 3.542 -9.877 -4.014 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.877 -7.813 -2.943 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.481 -7.055 -4.473 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.208 -9.768 -2.065 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.294 -10.227 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.604 -6.833 -6.197 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.275 -9.370 -4.427 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.612 -6.641 -7.290 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.548 -7.913 -6.413 1.00 0.00 H new ATOM 1374 N ILE C 42 2.562 -8.777 -6.964 1.00 0.00 N ATOM 1375 CA ILE C 42 1.878 -9.197 -8.182 1.00 0.00 C ATOM 1376 C ILE C 42 2.575 -10.417 -8.787 1.00 0.00 C ATOM 1377 O ILE C 42 1.921 -11.353 -9.249 1.00 0.00 O ATOM 1378 CB ILE C 42 1.856 -8.035 -9.194 1.00 0.00 C ATOM 1379 CG1 ILE C 42 0.807 -8.307 -10.294 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.241 -7.882 -9.831 1.00 0.00 C ATOM 1381 CD1 ILE C 42 -0.575 -7.823 -9.837 1.00 0.00 C ATOM 0 H ILE C 42 2.973 -7.844 -7.005 1.00 0.00 H new ATOM 0 HA ILE C 42 0.852 -9.472 -7.937 1.00 0.00 H new ATOM 0 HB ILE C 42 1.591 -7.115 -8.672 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.093 -7.797 -11.214 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.772 -9.373 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.224 -7.060 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.977 -7.672 -9.055 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.509 -8.805 -10.345 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -1.307 -8.020 -10.620 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.864 -8.352 -8.929 1.00 0.00 H new ATOM 0 HD13 ILE C 42 -0.537 -6.752 -9.636 1.00 0.00 H new ATOM 1393 N LEU C 43 3.905 -10.402 -8.765 1.00 0.00 N ATOM 1394 CA LEU C 43 4.686 -11.511 -9.300 1.00 0.00 C ATOM 1395 C LEU C 43 4.411 -12.786 -8.504 1.00 0.00 C ATOM 1396 O LEU C 43 4.349 -13.873 -9.066 1.00 0.00 O ATOM 1397 CB LEU C 43 6.184 -11.176 -9.256 1.00 0.00 C ATOM 1398 CG LEU C 43 6.549 -10.244 -10.428 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.976 -9.712 -10.231 1.00 0.00 C ATOM 1400 CD2 LEU C 43 6.459 -11.006 -11.772 1.00 0.00 C ATOM 0 H LEU C 43 4.462 -9.637 -8.384 1.00 0.00 H new ATOM 0 HA LEU C 43 4.392 -11.674 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.430 -10.697 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.772 -12.092 -9.312 1.00 0.00 H new ATOM 0 HG LEU C 43 5.846 -9.412 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.236 -9.053 -11.059 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.031 -9.157 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU C 43 8.675 -10.548 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU C 43 6.720 -10.334 -12.590 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.151 -11.848 -11.760 1.00 0.00 H new ATOM 0 HD23 LEU C 43 5.443 -11.374 -11.915 1.00 0.00 H new ATOM 1412 N ASP C 44 4.250 -12.648 -7.193 1.00 0.00 N ATOM 1413 CA ASP C 44 3.985 -13.809 -6.351 1.00 0.00 C ATOM 1414 C ASP C 44 2.691 -14.493 -6.785 1.00 0.00 C ATOM 1415 O ASP C 44 2.622 -15.720 -6.856 1.00 0.00 O ATOM 1416 CB ASP C 44 3.880 -13.378 -4.886 1.00 0.00 C ATOM 1417 CG ASP C 44 5.260 -13.006 -4.355 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.236 -13.349 -5.004 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.323 -12.383 -3.308 1.00 0.00 O ATOM 0 H ASP C 44 4.297 -11.759 -6.696 1.00 0.00 H new ATOM 0 HA ASP C 44 4.809 -14.515 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP C 44 3.204 -12.527 -4.796 1.00 0.00 H new ATOM 0 HB3 ASP C 44 3.457 -14.186 -4.289 1.00 0.00 H new ATOM 1424 N ARG C 45 1.671 -13.694 -7.079 1.00 0.00 N ATOM 1425 CA ARG C 45 0.388 -14.241 -7.513 1.00 0.00 C ATOM 1426 C ARG C 45 0.454 -14.727 -8.960 1.00 0.00 C ATOM 1427 O ARG C 45 -0.373 -15.532 -9.390 1.00 0.00 O ATOM 1428 CB ARG C 45 -0.704 -13.181 -7.385 1.00 0.00 C ATOM 1429 CG ARG C 45 -1.003 -12.939 -5.908 1.00 0.00 C ATOM 1430 CD ARG C 45 -2.068 -11.853 -5.776 1.00 0.00 C ATOM 1431 NE ARG C 45 -2.386 -11.634 -4.369 1.00 0.00 N ATOM 1432 CZ ARG C 45 -3.302 -12.372 -3.748 1.00 0.00 C ATOM 1433 NH1 ARG C 45 -3.930 -13.316 -4.395 1.00 0.00 N ATOM 1434 NH2 ARG C 45 -3.571 -12.153 -2.490 1.00 0.00 N ATOM 0 H ARG C 45 1.705 -12.676 -7.026 1.00 0.00 H new ATOM 0 HA ARG C 45 0.154 -15.091 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG C 45 -0.384 -12.253 -7.859 1.00 0.00 H new ATOM 0 HB3 ARG C 45 -1.606 -13.508 -7.902 1.00 0.00 H new ATOM 0 HG2 ARG C 45 -1.348 -13.861 -5.440 1.00 0.00 H new ATOM 0 HG3 ARG C 45 -0.094 -12.638 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG C 45 -1.712 -10.926 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG C 45 -2.967 -12.145 -6.319 1.00 0.00 H new ATOM 0 HE ARG C 45 -1.898 -10.902 -3.853 1.00 0.00 H new ATOM 0 HH11 ARG C 45 -3.718 -13.488 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG C 45 -4.632 -13.881 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG C 45 -3.079 -11.417 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG C 45 -4.273 -12.718 -2.013 1.00 0.00 H new ATOM 1448 N LEU C 46 1.428 -14.223 -9.715 1.00 0.00 N ATOM 1449 CA LEU C 46 1.572 -14.608 -11.117 1.00 0.00 C ATOM 1450 C LEU C 46 1.855 -16.100 -11.241 1.00 0.00 C ATOM 1451 O LEU C 46 1.264 -16.785 -12.076 1.00 0.00 O ATOM 1452 CB LEU C 46 2.713 -13.801 -11.761 1.00 0.00 C ATOM 1453 CG LEU C 46 2.838 -14.130 -13.276 1.00 0.00 C ATOM 1454 CD1 LEU C 46 3.185 -12.856 -14.056 1.00 0.00 C ATOM 1455 CD2 LEU C 46 3.952 -15.166 -13.517 1.00 0.00 C ATOM 0 H LEU C 46 2.123 -13.554 -9.384 1.00 0.00 H new ATOM 0 HA LEU C 46 0.638 -14.392 -11.635 1.00 0.00 H new ATOM 0 HB2 LEU C 46 2.529 -12.735 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU C 46 3.653 -14.026 -11.257 1.00 0.00 H new ATOM 0 HG LEU C 46 1.885 -14.535 -13.615 1.00 0.00 H new ATOM 0 HD11 LEU C 46 3.272 -13.091 -15.117 1.00 0.00 H new ATOM 0 HD12 LEU C 46 2.398 -12.115 -13.912 1.00 0.00 H new ATOM 0 HD13 LEU C 46 4.132 -12.455 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU C 46 4.023 -15.382 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU C 46 4.903 -14.767 -13.163 1.00 0.00 H new ATOM 0 HD23 LEU C 46 3.720 -16.083 -12.975 1.00 0.00 H new ATOM 1467 N PHE C 47 2.763 -16.598 -10.412 1.00 0.00 N ATOM 1468 CA PHE C 47 3.116 -18.013 -10.448 1.00 0.00 C ATOM 1469 C PHE C 47 1.912 -18.877 -10.099 1.00 0.00 C ATOM 1470 O PHE C 47 1.647 -19.885 -10.756 1.00 0.00 O ATOM 1471 CB PHE C 47 4.254 -18.295 -9.465 1.00 0.00 C ATOM 1472 CG PHE C 47 5.502 -17.577 -9.922 1.00 0.00 C ATOM 1473 CD1 PHE C 47 6.287 -18.120 -10.947 1.00 0.00 C ATOM 1474 CD2 PHE C 47 5.870 -16.367 -9.324 1.00 0.00 C ATOM 1475 CE1 PHE C 47 7.441 -17.449 -11.373 1.00 0.00 C ATOM 1476 CE2 PHE C 47 7.022 -15.695 -9.751 1.00 0.00 C ATOM 1477 CZ PHE C 47 7.807 -16.238 -10.776 1.00 0.00 C ATOM 0 H PHE C 47 3.265 -16.051 -9.713 1.00 0.00 H new ATOM 0 HA PHE C 47 3.442 -18.259 -11.459 1.00 0.00 H new ATOM 0 HB2 PHE C 47 3.976 -17.963 -8.465 1.00 0.00 H new ATOM 0 HB3 PHE C 47 4.440 -19.367 -9.405 1.00 0.00 H new ATOM 0 HD1 PHE C 47 6.003 -19.054 -11.408 1.00 0.00 H new ATOM 0 HD2 PHE C 47 5.265 -15.951 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE C 47 8.048 -17.867 -12.162 1.00 0.00 H new ATOM 0 HE2 PHE C 47 7.305 -14.760 -9.291 1.00 0.00 H new ATOM 0 HZ PHE C 47 8.696 -15.721 -11.106 1.00 0.00 H new ATOM 1487 N PHE C 48 1.187 -18.479 -9.059 1.00 0.00 N ATOM 1488 CA PHE C 48 0.009 -19.222 -8.617 1.00 0.00 C ATOM 1489 C PHE C 48 -1.023 -18.278 -8.009 1.00 0.00 C ATOM 1490 O PHE C 48 -0.679 -17.207 -7.511 1.00 0.00 O ATOM 1491 CB PHE C 48 0.418 -20.275 -7.584 1.00 0.00 C ATOM 1492 CG PHE C 48 1.084 -19.600 -6.408 1.00 0.00 C ATOM 1493 CD1 PHE C 48 0.317 -19.170 -5.317 1.00 0.00 C ATOM 1494 CD2 PHE C 48 2.469 -19.405 -6.409 1.00 0.00 C ATOM 1495 CE1 PHE C 48 0.939 -18.547 -4.227 1.00 0.00 C ATOM 1496 CE2 PHE C 48 3.090 -18.781 -5.320 1.00 0.00 C ATOM 1497 CZ PHE C 48 2.325 -18.353 -4.229 1.00 0.00 C ATOM 0 H PHE C 48 1.393 -17.647 -8.506 1.00 0.00 H new ATOM 0 HA PHE C 48 -0.436 -19.715 -9.481 1.00 0.00 H new ATOM 0 HB2 PHE C 48 -0.458 -20.830 -7.249 1.00 0.00 H new ATOM 0 HB3 PHE C 48 1.099 -20.997 -8.035 1.00 0.00 H new ATOM 0 HD1 PHE C 48 -0.753 -19.319 -5.316 1.00 0.00 H new ATOM 0 HD2 PHE C 48 3.060 -19.736 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE C 48 0.349 -18.216 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE C 48 4.159 -18.630 -5.322 1.00 0.00 H new ATOM 0 HZ PHE C 48 2.804 -17.873 -3.389 1.00 0.00 H new ATOM 1507 N LYS C 49 -2.287 -18.683 -8.058 1.00 0.00 N ATOM 1508 CA LYS C 49 -3.362 -17.864 -7.511 1.00 0.00 C ATOM 1509 C LYS C 49 -3.261 -16.432 -8.026 1.00 0.00 C ATOM 1510 O LYS C 49 -3.206 -15.531 -7.206 1.00 0.00 O ATOM 1511 CB LYS C 49 -3.293 -17.865 -5.983 1.00 0.00 C ATOM 1512 CG LYS C 49 -3.629 -19.263 -5.456 1.00 0.00 C ATOM 1513 CD LYS C 49 -3.547 -19.266 -3.928 1.00 0.00 C ATOM 1514 CE LYS C 49 -3.865 -20.667 -3.402 1.00 0.00 C ATOM 1515 NZ LYS C 49 -3.783 -20.669 -1.915 1.00 0.00 N ATOM 1516 OXT LYS C 49 -3.239 -16.258 -9.232 1.00 0.00 O ATOM 0 H LYS C 49 -2.591 -19.566 -8.467 1.00 0.00 H new ATOM 0 HA LYS C 49 -4.314 -18.286 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS C 49 -2.297 -17.571 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS C 49 -3.992 -17.134 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS C 49 -4.629 -19.554 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS C 49 -2.936 -19.995 -5.869 1.00 0.00 H new ATOM 0 HD2 LYS C 49 -2.551 -18.963 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS C 49 -4.250 -18.543 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS C 49 -4.862 -20.970 -3.722 1.00 0.00 H new ATOM 0 HE3 LYS C 49 -3.163 -21.391 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 -3.999 -21.621 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 -2.823 -20.397 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 -4.469 -19.990 -1.529 1.00 0.00 H new TER 1530 LYS C 49 ATOM 1531 N SER D 19 7.504 21.627 12.290 1.00 0.00 N ATOM 1532 CA SER D 19 7.065 20.930 11.050 1.00 0.00 C ATOM 1533 C SER D 19 6.122 21.835 10.266 1.00 0.00 C ATOM 1534 O SER D 19 5.760 22.918 10.728 1.00 0.00 O ATOM 1535 CB SER D 19 6.351 19.631 11.426 1.00 0.00 C ATOM 1536 OG SER D 19 7.213 18.835 12.229 1.00 0.00 O ATOM 0 HA SER D 19 7.932 20.697 10.431 1.00 0.00 H new ATOM 0 HB2 SER D 19 5.432 19.852 11.968 1.00 0.00 H new ATOM 0 HB3 SER D 19 6.067 19.085 10.526 1.00 0.00 H new ATOM 0 HG SER D 19 7.741 19.415 12.816 1.00 0.00 H new ATOM 1544 N ASN D 20 5.726 21.387 9.080 1.00 0.00 N ATOM 1545 CA ASN D 20 4.823 22.167 8.240 1.00 0.00 C ATOM 1546 C ASN D 20 3.379 21.986 8.695 1.00 0.00 C ATOM 1547 O ASN D 20 2.912 20.861 8.877 1.00 0.00 O ATOM 1548 CB ASN D 20 4.957 21.724 6.781 1.00 0.00 C ATOM 1549 CG ASN D 20 6.321 22.135 6.232 1.00 0.00 C ATOM 1550 OD1 ASN D 20 6.851 23.268 6.602 1.00 0.00 O flip ATOM 1551 ND2 ASN D 20 6.915 21.407 5.436 1.00 0.00 N flip ATOM 0 H ASN D 20 6.013 20.494 8.680 1.00 0.00 H new ATOM 0 HA ASN D 20 5.092 23.220 8.328 1.00 0.00 H new ATOM 0 HB2 ASN D 20 4.838 20.643 6.708 1.00 0.00 H new ATOM 0 HB3 ASN D 20 4.165 22.173 6.182 1.00 0.00 H new ATOM 0 HD21 ASN D 20 6.500 20.521 5.147 1.00 0.00 H new ATOM 0 HD22 ASN D 20 7.822 21.690 5.065 1.00 0.00 H new ATOM 1558 N ASP D 21 2.679 23.099 8.878 1.00 0.00 N ATOM 1559 CA ASP D 21 1.288 23.053 9.311 1.00 0.00 C ATOM 1560 C ASP D 21 0.426 22.346 8.269 1.00 0.00 C ATOM 1561 O ASP D 21 -0.447 21.547 8.609 1.00 0.00 O ATOM 1562 CB ASP D 21 0.765 24.473 9.536 1.00 0.00 C ATOM 1563 CG ASP D 21 1.391 25.068 10.795 1.00 0.00 C ATOM 1564 OD1 ASP D 21 1.953 24.310 11.568 1.00 0.00 O ATOM 1565 OD2 ASP D 21 1.299 26.273 10.966 1.00 0.00 O ATOM 0 H ASP D 21 3.049 24.039 8.734 1.00 0.00 H new ATOM 0 HA ASP D 21 1.235 22.496 10.246 1.00 0.00 H new ATOM 0 HB2 ASP D 21 1.000 25.097 8.674 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -0.321 24.458 9.632 1.00 0.00 H new ATOM 1570 N SER D 22 0.678 22.646 6.999 1.00 0.00 N ATOM 1571 CA SER D 22 -0.079 22.034 5.910 1.00 0.00 C ATOM 1572 C SER D 22 0.095 20.520 5.918 1.00 0.00 C ATOM 1573 O SER D 22 -0.866 19.775 5.716 1.00 0.00 O ATOM 1574 CB SER D 22 0.390 22.594 4.569 1.00 0.00 C ATOM 1575 OG SER D 22 0.156 23.996 4.538 1.00 0.00 O ATOM 0 H SER D 22 1.396 23.305 6.698 1.00 0.00 H new ATOM 0 HA SER D 22 -1.134 22.267 6.053 1.00 0.00 H new ATOM 0 HB2 SER D 22 1.451 22.387 4.427 1.00 0.00 H new ATOM 0 HB3 SER D 22 -0.142 22.107 3.752 1.00 0.00 H new ATOM 0 HG SER D 22 0.458 24.359 3.679 1.00 0.00 H new ATOM 1581 N SER D 23 1.323 20.068 6.153 1.00 0.00 N ATOM 1582 CA SER D 23 1.605 18.638 6.184 1.00 0.00 C ATOM 1583 C SER D 23 0.909 17.995 7.377 1.00 0.00 C ATOM 1584 O SER D 23 1.504 17.826 8.441 1.00 0.00 O ATOM 1585 CB SER D 23 3.113 18.408 6.286 1.00 0.00 C ATOM 1586 OG SER D 23 3.550 18.742 7.597 1.00 0.00 O ATOM 0 H SER D 23 2.132 20.666 6.323 1.00 0.00 H new ATOM 0 HA SER D 23 1.232 18.185 5.265 1.00 0.00 H new ATOM 0 HB2 SER D 23 3.350 17.367 6.065 1.00 0.00 H new ATOM 0 HB3 SER D 23 3.636 19.017 5.549 1.00 0.00 H new ATOM 0 HG SER D 23 3.124 18.144 8.246 1.00 0.00 H new ATOM 1592 N ASP D 24 -0.358 17.643 7.192 1.00 0.00 N ATOM 1593 CA ASP D 24 -1.133 17.026 8.263 1.00 0.00 C ATOM 1594 C ASP D 24 -0.433 15.754 8.764 1.00 0.00 C ATOM 1595 O ASP D 24 0.289 15.102 8.011 1.00 0.00 O ATOM 1596 CB ASP D 24 -2.543 16.685 7.747 1.00 0.00 C ATOM 1597 CG ASP D 24 -3.464 17.900 7.865 1.00 0.00 C ATOM 1598 OD1 ASP D 24 -3.167 18.908 7.247 1.00 0.00 O ATOM 1599 OD2 ASP D 24 -4.453 17.801 8.573 1.00 0.00 O ATOM 0 H ASP D 24 -0.868 17.773 6.318 1.00 0.00 H new ATOM 0 HA ASP D 24 -1.213 17.727 9.094 1.00 0.00 H new ATOM 0 HB2 ASP D 24 -2.488 16.362 6.707 1.00 0.00 H new ATOM 0 HB3 ASP D 24 -2.954 15.853 8.318 1.00 0.00 H new ATOM 1604 N PRO D 25 -0.636 15.389 10.010 1.00 0.00 N ATOM 1605 CA PRO D 25 -0.009 14.167 10.604 1.00 0.00 C ATOM 1606 C PRO D 25 -0.536 12.881 9.964 1.00 0.00 C ATOM 1607 O PRO D 25 0.102 11.832 10.054 1.00 0.00 O ATOM 1608 CB PRO D 25 -0.385 14.248 12.095 1.00 0.00 C ATOM 1609 CG PRO D 25 -1.620 15.091 12.133 1.00 0.00 C ATOM 1610 CD PRO D 25 -1.481 16.094 10.990 1.00 0.00 C ATOM 0 HA PRO D 25 1.068 14.136 10.440 1.00 0.00 H new ATOM 0 HB2 PRO D 25 -0.569 13.257 12.511 1.00 0.00 H new ATOM 0 HB3 PRO D 25 0.417 14.695 12.681 1.00 0.00 H new ATOM 0 HG2 PRO D 25 -2.514 14.479 12.009 1.00 0.00 H new ATOM 0 HG3 PRO D 25 -1.714 15.602 13.091 1.00 0.00 H new ATOM 0 HD2 PRO D 25 -2.451 16.357 10.567 1.00 0.00 H new ATOM 0 HD3 PRO D 25 -1.017 17.022 11.325 1.00 0.00 H new ATOM 1618 N LEU D 26 -1.702 12.968 9.328 1.00 0.00 N ATOM 1619 CA LEU D 26 -2.298 11.799 8.689 1.00 0.00 C ATOM 1620 C LEU D 26 -1.392 11.278 7.576 1.00 0.00 C ATOM 1621 O LEU D 26 -1.192 10.073 7.438 1.00 0.00 O ATOM 1622 CB LEU D 26 -3.674 12.159 8.107 1.00 0.00 C ATOM 1623 CG LEU D 26 -4.312 10.934 7.429 1.00 0.00 C ATOM 1624 CD1 LEU D 26 -4.467 9.780 8.436 1.00 0.00 C ATOM 1625 CD2 LEU D 26 -5.688 11.330 6.884 1.00 0.00 C ATOM 0 H LEU D 26 -2.247 13.826 9.242 1.00 0.00 H new ATOM 0 HA LEU D 26 -2.418 11.019 9.441 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -4.327 12.523 8.900 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -3.569 12.968 7.384 1.00 0.00 H new ATOM 0 HG LEU D 26 -3.669 10.598 6.615 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.920 8.922 7.939 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -3.487 9.500 8.822 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.104 10.100 9.261 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -6.150 10.469 6.401 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -6.321 11.668 7.705 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -5.574 12.135 6.158 1.00 0.00 H new ATOM 1637 N VAL D 27 -0.852 12.196 6.779 1.00 0.00 N ATOM 1638 CA VAL D 27 0.025 11.813 5.678 1.00 0.00 C ATOM 1639 C VAL D 27 1.284 11.130 6.209 1.00 0.00 C ATOM 1640 O VAL D 27 1.719 10.107 5.681 1.00 0.00 O ATOM 1641 CB VAL D 27 0.411 13.050 4.866 1.00 0.00 C ATOM 1642 CG1 VAL D 27 1.422 12.663 3.784 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -0.842 13.632 4.208 1.00 0.00 C ATOM 0 H VAL D 27 -1.004 13.200 6.873 1.00 0.00 H new ATOM 0 HA VAL D 27 -0.509 11.112 5.036 1.00 0.00 H new ATOM 0 HB VAL D 27 0.859 13.793 5.526 1.00 0.00 H new ATOM 0 HG11 VAL D 27 1.694 13.547 3.208 1.00 0.00 H new ATOM 0 HG12 VAL D 27 2.314 12.246 4.252 1.00 0.00 H new ATOM 0 HG13 VAL D 27 0.979 11.920 3.121 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -0.572 14.514 3.628 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -1.287 12.886 3.549 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -1.561 13.910 4.978 1.00 0.00 H new ATOM 1653 N VAL D 28 1.865 11.704 7.257 1.00 0.00 N ATOM 1654 CA VAL D 28 3.074 11.145 7.851 1.00 0.00 C ATOM 1655 C VAL D 28 2.805 9.746 8.393 1.00 0.00 C ATOM 1656 O VAL D 28 3.603 8.830 8.199 1.00 0.00 O ATOM 1657 CB VAL D 28 3.564 12.051 8.979 1.00 0.00 C ATOM 1658 CG1 VAL D 28 4.784 11.418 9.653 1.00 0.00 C ATOM 1659 CG2 VAL D 28 3.952 13.416 8.405 1.00 0.00 C ATOM 0 H VAL D 28 1.521 12.551 7.710 1.00 0.00 H new ATOM 0 HA VAL D 28 3.842 11.079 7.080 1.00 0.00 H new ATOM 0 HB VAL D 28 2.768 12.176 9.713 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.132 12.066 10.457 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.510 10.446 10.063 1.00 0.00 H new ATOM 0 HG13 VAL D 28 5.580 11.291 8.919 1.00 0.00 H new ATOM 0 HG21 VAL D 28 4.302 14.063 9.210 1.00 0.00 H new ATOM 0 HG22 VAL D 28 4.747 13.289 7.670 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.084 13.869 7.926 1.00 0.00 H new ATOM 1669 N ALA D 29 1.676 9.586 9.078 1.00 0.00 N ATOM 1670 CA ALA D 29 1.317 8.293 9.648 1.00 0.00 C ATOM 1671 C ALA D 29 1.193 7.240 8.550 1.00 0.00 C ATOM 1672 O ALA D 29 1.607 6.097 8.728 1.00 0.00 O ATOM 1673 CB ALA D 29 -0.012 8.404 10.404 1.00 0.00 C ATOM 0 H ALA D 29 0.999 10.330 9.250 1.00 0.00 H new ATOM 0 HA ALA D 29 2.104 7.991 10.340 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.272 7.434 10.826 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.086 9.135 11.207 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.796 8.723 9.717 1.00 0.00 H new ATOM 1679 N ALA D 30 0.622 7.633 7.419 1.00 0.00 N ATOM 1680 CA ALA D 30 0.450 6.703 6.308 1.00 0.00 C ATOM 1681 C ALA D 30 1.800 6.169 5.849 1.00 0.00 C ATOM 1682 O ALA D 30 1.938 4.983 5.545 1.00 0.00 O ATOM 1683 CB ALA D 30 -0.249 7.406 5.140 1.00 0.00 C ATOM 0 H ALA D 30 0.274 8.576 7.246 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.164 5.868 6.647 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.373 6.705 4.315 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -1.227 7.763 5.463 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.355 8.251 4.810 1.00 0.00 H new ATOM 1689 N ASN D 31 2.794 7.048 5.795 1.00 0.00 N ATOM 1690 CA ASN D 31 4.124 6.640 5.361 1.00 0.00 C ATOM 1691 C ASN D 31 4.723 5.621 6.331 1.00 0.00 C ATOM 1692 O ASN D 31 5.260 4.597 5.912 1.00 0.00 O ATOM 1693 CB ASN D 31 5.040 7.865 5.283 1.00 0.00 C ATOM 1694 CG ASN D 31 4.702 8.697 4.050 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.033 8.214 3.136 1.00 0.00 O ATOM 1696 ND2 ASN D 31 5.128 9.928 3.971 1.00 0.00 N ATOM 0 H ASN D 31 2.707 8.034 6.042 1.00 0.00 H new ATOM 0 HA ASN D 31 4.038 6.179 4.377 1.00 0.00 H new ATOM 0 HB2 ASN D 31 4.927 8.471 6.182 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.082 7.547 5.242 1.00 0.00 H new ATOM 0 HD21 ASN D 31 4.907 10.493 3.151 1.00 0.00 H new ATOM 0 HD22 ASN D 31 5.682 10.326 4.730 1.00 0.00 H new ATOM 1703 N ILE D 32 4.626 5.907 7.626 1.00 0.00 N ATOM 1704 CA ILE D 32 5.171 5.006 8.643 1.00 0.00 C ATOM 1705 C ILE D 32 4.448 3.663 8.612 1.00 0.00 C ATOM 1706 O ILE D 32 5.072 2.606 8.691 1.00 0.00 O ATOM 1707 CB ILE D 32 5.035 5.642 10.029 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.945 6.871 10.110 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.457 4.633 11.104 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.621 7.667 11.376 1.00 0.00 C ATOM 0 H ILE D 32 4.180 6.746 7.996 1.00 0.00 H new ATOM 0 HA ILE D 32 6.226 4.836 8.428 1.00 0.00 H new ATOM 0 HB ILE D 32 3.998 5.935 10.193 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.990 6.562 10.120 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.806 7.497 9.229 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.359 5.089 12.089 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.818 3.752 11.047 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.494 4.340 10.941 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.270 8.541 11.432 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.580 7.989 11.347 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.782 7.039 12.252 1.00 0.00 H new ATOM 1722 N ILE D 33 3.127 3.718 8.500 1.00 0.00 N ATOM 1723 CA ILE D 33 2.321 2.507 8.457 1.00 0.00 C ATOM 1724 C ILE D 33 2.675 1.672 7.228 1.00 0.00 C ATOM 1725 O ILE D 33 2.779 0.448 7.311 1.00 0.00 O ATOM 1726 CB ILE D 33 0.834 2.878 8.436 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.437 3.487 9.783 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.003 1.625 8.184 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.952 4.115 9.666 1.00 0.00 C ATOM 0 H ILE D 33 2.594 4.585 8.438 1.00 0.00 H new ATOM 0 HA ILE D 33 2.529 1.912 9.346 1.00 0.00 H new ATOM 0 HB ILE D 33 0.656 3.602 7.641 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.437 2.719 10.556 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.165 4.241 10.083 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.060 1.890 8.169 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.275 1.189 7.225 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.178 0.901 8.978 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.237 4.549 10.624 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.936 4.895 8.905 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.675 3.349 9.386 1.00 0.00 H new ATOM 1741 N GLY D 34 2.846 2.333 6.088 1.00 0.00 N ATOM 1742 CA GLY D 34 3.172 1.626 4.856 1.00 0.00 C ATOM 1743 C GLY D 34 4.398 0.733 5.045 1.00 0.00 C ATOM 1744 O GLY D 34 4.400 -0.423 4.628 1.00 0.00 O ATOM 0 H GLY D 34 2.765 3.345 5.992 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.321 1.020 4.544 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.361 2.345 4.059 1.00 0.00 H new ATOM 1748 N ILE D 35 5.430 1.268 5.689 1.00 0.00 N ATOM 1749 CA ILE D 35 6.645 0.493 5.934 1.00 0.00 C ATOM 1750 C ILE D 35 6.357 -0.660 6.893 1.00 0.00 C ATOM 1751 O ILE D 35 6.845 -1.775 6.699 1.00 0.00 O ATOM 1752 CB ILE D 35 7.739 1.383 6.526 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.954 2.614 5.630 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.045 0.586 6.644 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.256 2.200 4.185 1.00 0.00 C ATOM 0 H ILE D 35 5.452 2.223 6.047 1.00 0.00 H new ATOM 0 HA ILE D 35 6.988 0.091 4.980 1.00 0.00 H new ATOM 0 HB ILE D 35 7.433 1.717 7.517 1.00 0.00 H new ATOM 0 HG12 ILE D 35 7.065 3.244 5.653 1.00 0.00 H new ATOM 0 HG13 ILE D 35 8.778 3.212 6.020 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.823 1.222 7.066 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.888 -0.275 7.294 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.353 0.244 5.656 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.403 3.091 3.575 1.00 0.00 H new ATOM 0 HD12 ILE D 35 9.160 1.591 4.162 1.00 0.00 H new ATOM 0 HD13 ILE D 35 7.420 1.623 3.789 1.00 0.00 H new ATOM 1767 N LEU D 36 5.568 -0.379 7.932 1.00 0.00 N ATOM 1768 CA LEU D 36 5.229 -1.394 8.928 1.00 0.00 C ATOM 1769 C LEU D 36 4.526 -2.578 8.259 1.00 0.00 C ATOM 1770 O LEU D 36 4.738 -3.735 8.625 1.00 0.00 O ATOM 1771 CB LEU D 36 4.319 -0.792 10.011 1.00 0.00 C ATOM 1772 CG LEU D 36 4.375 -1.652 11.296 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.537 -1.194 12.188 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.066 -1.511 12.079 1.00 0.00 C ATOM 0 H LEU D 36 5.155 0.537 8.104 1.00 0.00 H new ATOM 0 HA LEU D 36 6.150 -1.745 9.393 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.632 0.228 10.234 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.294 -0.738 9.646 1.00 0.00 H new ATOM 0 HG LEU D 36 4.522 -2.693 11.008 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.567 -1.806 13.089 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.476 -1.301 11.645 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.394 -0.149 12.464 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.115 -2.120 12.982 1.00 0.00 H new ATOM 0 HD22 LEU D 36 2.917 -0.467 12.353 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.234 -1.846 11.460 1.00 0.00 H new ATOM 1786 N HIS D 37 3.687 -2.280 7.277 1.00 0.00 N ATOM 1787 CA HIS D 37 2.974 -3.329 6.560 1.00 0.00 C ATOM 1788 C HIS D 37 3.936 -4.187 5.742 1.00 0.00 C ATOM 1789 O HIS D 37 3.801 -5.410 5.695 1.00 0.00 O ATOM 1790 CB HIS D 37 1.934 -2.711 5.626 1.00 0.00 C ATOM 1791 CG HIS D 37 1.207 -3.807 4.899 1.00 0.00 C ATOM 1792 ND1 HIS D 37 1.642 -4.759 4.010 1.00 0.00 N flip ATOM 1793 CD2 HIS D 37 -0.152 -4.022 5.047 1.00 0.00 C flip ATOM 1794 CE1 HIS D 37 0.574 -5.551 3.612 1.00 0.00 C flip ATOM 1795 NE2 HIS D 37 -0.481 -5.066 4.264 1.00 0.00 N flip ATOM 0 H HIS D 37 3.484 -1.332 6.961 1.00 0.00 H new ATOM 0 HA HIS D 37 2.480 -3.962 7.297 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.229 -2.107 6.197 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.419 -2.045 4.912 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -0.824 -3.456 5.675 1.00 0.00 H new ATOM 0 HE1 HIS D 37 0.594 -6.382 2.922 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -1.426 -5.441 4.180 1.00 0.00 H new ATOM 1803 N LEU D 38 4.884 -3.538 5.070 1.00 0.00 N ATOM 1804 CA LEU D 38 5.838 -4.257 4.223 1.00 0.00 C ATOM 1805 C LEU D 38 6.668 -5.260 5.025 1.00 0.00 C ATOM 1806 O LEU D 38 6.845 -6.401 4.600 1.00 0.00 O ATOM 1807 CB LEU D 38 6.766 -3.242 3.504 1.00 0.00 C ATOM 1808 CG LEU D 38 6.432 -3.164 2.004 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.037 -1.894 1.410 1.00 0.00 C ATOM 1810 CD2 LEU D 38 7.013 -4.384 1.279 1.00 0.00 C ATOM 0 H LEU D 38 5.013 -2.527 5.093 1.00 0.00 H new ATOM 0 HA LEU D 38 5.272 -4.823 3.483 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.656 -2.257 3.957 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.807 -3.538 3.635 1.00 0.00 H new ATOM 0 HG LEU D 38 5.349 -3.148 1.881 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.800 -1.840 0.348 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.625 -1.022 1.918 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.119 -1.911 1.539 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.774 -4.324 0.217 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.095 -4.402 1.407 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.583 -5.294 1.697 1.00 0.00 H new ATOM 1822 N ILE D 39 7.171 -4.842 6.174 1.00 0.00 N ATOM 1823 CA ILE D 39 7.976 -5.732 6.997 1.00 0.00 C ATOM 1824 C ILE D 39 7.146 -6.929 7.456 1.00 0.00 C ATOM 1825 O ILE D 39 7.627 -8.060 7.475 1.00 0.00 O ATOM 1826 CB ILE D 39 8.536 -4.964 8.196 1.00 0.00 C ATOM 1827 CG1 ILE D 39 7.397 -4.255 8.919 1.00 0.00 C ATOM 1828 CG2 ILE D 39 9.542 -3.924 7.701 1.00 0.00 C ATOM 1829 CD1 ILE D 39 7.923 -3.540 10.164 1.00 0.00 C ATOM 0 H ILE D 39 7.040 -3.905 6.556 1.00 0.00 H new ATOM 0 HA ILE D 39 8.810 -6.108 6.405 1.00 0.00 H new ATOM 0 HB ILE D 39 9.027 -5.658 8.878 1.00 0.00 H new ATOM 0 HG12 ILE D 39 6.925 -3.535 8.250 1.00 0.00 H new ATOM 0 HG13 ILE D 39 6.631 -4.977 9.202 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.944 -3.374 8.551 1.00 0.00 H new ATOM 0 HG22 ILE D 39 10.355 -4.425 7.176 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.045 -3.231 7.023 1.00 0.00 H new ATOM 0 HD11 ILE D 39 7.099 -3.038 10.671 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.374 -4.268 10.838 1.00 0.00 H new ATOM 0 HD13 ILE D 39 8.672 -2.804 9.872 1.00 0.00 H new ATOM 1841 N LEU D 40 5.899 -6.681 7.835 1.00 0.00 N ATOM 1842 CA LEU D 40 5.028 -7.758 8.283 1.00 0.00 C ATOM 1843 C LEU D 40 4.615 -8.660 7.116 1.00 0.00 C ATOM 1844 O LEU D 40 4.620 -9.885 7.237 1.00 0.00 O ATOM 1845 CB LEU D 40 3.787 -7.165 8.972 1.00 0.00 C ATOM 1846 CG LEU D 40 4.132 -6.745 10.417 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.172 -5.649 10.883 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.006 -7.951 11.365 1.00 0.00 C ATOM 0 H LEU D 40 5.472 -5.755 7.841 1.00 0.00 H new ATOM 0 HA LEU D 40 5.576 -8.373 8.996 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.427 -6.303 8.411 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.981 -7.899 8.981 1.00 0.00 H new ATOM 0 HG LEU D 40 5.156 -6.373 10.434 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.421 -5.357 11.903 1.00 0.00 H new ATOM 0 HD12 LEU D 40 3.261 -4.784 10.226 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.149 -6.024 10.852 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.252 -7.642 12.381 1.00 0.00 H new ATOM 0 HD22 LEU D 40 2.984 -8.330 11.338 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.693 -8.736 11.048 1.00 0.00 H new ATOM 1860 N TRP D 41 4.251 -8.047 5.990 1.00 0.00 N ATOM 1861 CA TRP D 41 3.831 -8.806 4.816 1.00 0.00 C ATOM 1862 C TRP D 41 5.000 -9.559 4.175 1.00 0.00 C ATOM 1863 O TRP D 41 4.878 -10.738 3.837 1.00 0.00 O ATOM 1864 CB TRP D 41 3.175 -7.859 3.799 1.00 0.00 C ATOM 1865 CG TRP D 41 2.999 -8.557 2.486 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.968 -9.368 2.164 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.853 -8.493 1.312 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.150 -9.827 0.871 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.295 -9.310 0.303 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.050 -7.811 1.026 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.906 -9.448 -0.940 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.662 -7.944 -0.230 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.090 -8.763 -1.208 1.00 0.00 C ATOM 0 H TRP D 41 4.239 -7.034 5.868 1.00 0.00 H new ATOM 0 HA TRP D 41 3.106 -9.554 5.137 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.208 -7.523 4.174 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.792 -6.970 3.667 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.138 -9.617 2.809 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.515 -10.469 0.397 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.501 -7.181 1.778 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.465 -10.083 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.578 -7.412 -0.442 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.566 -8.865 -2.172 1.00 0.00 H new ATOM 1884 N ILE D 42 6.120 -8.874 3.996 1.00 0.00 N ATOM 1885 CA ILE D 42 7.287 -9.494 3.377 1.00 0.00 C ATOM 1886 C ILE D 42 7.791 -10.651 4.243 1.00 0.00 C ATOM 1887 O ILE D 42 8.156 -11.710 3.735 1.00 0.00 O ATOM 1888 CB ILE D 42 8.395 -8.442 3.185 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.452 -8.959 2.184 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.064 -8.147 4.532 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.019 -8.638 0.749 1.00 0.00 C ATOM 0 H ILE D 42 6.247 -7.899 4.267 1.00 0.00 H new ATOM 0 HA ILE D 42 7.006 -9.891 2.401 1.00 0.00 H new ATOM 0 HB ILE D 42 7.951 -7.528 2.791 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.418 -8.498 2.392 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.580 -10.035 2.302 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.848 -7.402 4.394 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.320 -7.766 5.232 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.500 -9.063 4.930 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.771 -9.007 0.051 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.064 -9.120 0.541 1.00 0.00 H new ATOM 0 HD13 ILE D 42 8.914 -7.559 0.633 1.00 0.00 H new ATOM 1903 N LEU D 43 7.792 -10.440 5.557 1.00 0.00 N ATOM 1904 CA LEU D 43 8.238 -11.466 6.491 1.00 0.00 C ATOM 1905 C LEU D 43 7.327 -12.690 6.407 1.00 0.00 C ATOM 1906 O LEU D 43 7.790 -13.823 6.503 1.00 0.00 O ATOM 1907 CB LEU D 43 8.247 -10.915 7.922 1.00 0.00 C ATOM 1908 CG LEU D 43 9.502 -10.047 8.146 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.374 -9.297 9.479 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.773 -10.930 8.166 1.00 0.00 C ATOM 0 H LEU D 43 7.490 -9.570 5.996 1.00 0.00 H new ATOM 0 HA LEU D 43 9.252 -11.763 6.223 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.349 -10.323 8.098 1.00 0.00 H new ATOM 0 HB3 LEU D 43 8.231 -11.737 8.637 1.00 0.00 H new ATOM 0 HG LEU D 43 9.586 -9.331 7.328 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.261 -8.683 9.638 1.00 0.00 H new ATOM 0 HD12 LEU D 43 8.491 -8.659 9.454 1.00 0.00 H new ATOM 0 HD13 LEU D 43 9.279 -10.016 10.293 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.650 -10.302 8.325 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.697 -11.659 8.973 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.868 -11.452 7.214 1.00 0.00 H new ATOM 1922 N ASP D 44 6.031 -12.462 6.230 1.00 0.00 N ATOM 1923 CA ASP D 44 5.086 -13.569 6.140 1.00 0.00 C ATOM 1924 C ASP D 44 5.439 -14.470 4.960 1.00 0.00 C ATOM 1925 O ASP D 44 5.399 -15.695 5.071 1.00 0.00 O ATOM 1926 CB ASP D 44 3.664 -13.032 5.975 1.00 0.00 C ATOM 1927 CG ASP D 44 3.186 -12.418 7.289 1.00 0.00 C ATOM 1928 OD1 ASP D 44 3.816 -12.673 8.301 1.00 0.00 O ATOM 1929 OD2 ASP D 44 2.202 -11.700 7.261 1.00 0.00 O ATOM 0 H ASP D 44 5.614 -11.535 6.147 1.00 0.00 H new ATOM 0 HA ASP D 44 5.143 -14.152 7.059 1.00 0.00 H new ATOM 0 HB2 ASP D 44 3.638 -12.284 5.183 1.00 0.00 H new ATOM 0 HB3 ASP D 44 2.994 -13.838 5.675 1.00 0.00 H new ATOM 1934 N ARG D 45 5.790 -13.859 3.832 1.00 0.00 N ATOM 1935 CA ARG D 45 6.154 -14.624 2.643 1.00 0.00 C ATOM 1936 C ARG D 45 7.553 -15.222 2.776 1.00 0.00 C ATOM 1937 O ARG D 45 7.896 -16.176 2.076 1.00 0.00 O ATOM 1938 CB ARG D 45 6.102 -13.726 1.409 1.00 0.00 C ATOM 1939 CG ARG D 45 4.648 -13.401 1.079 1.00 0.00 C ATOM 1940 CD ARG D 45 4.598 -12.473 -0.131 1.00 0.00 C ATOM 1941 NE ARG D 45 3.212 -12.178 -0.479 1.00 0.00 N ATOM 1942 CZ ARG D 45 2.519 -12.980 -1.282 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.073 -14.061 -1.764 1.00 0.00 N ATOM 1944 NH2 ARG D 45 1.284 -12.692 -1.583 1.00 0.00 N ATOM 0 H ARG D 45 5.830 -12.846 3.716 1.00 0.00 H new ATOM 0 HA ARG D 45 5.438 -15.439 2.537 1.00 0.00 H new ATOM 0 HB2 ARG D 45 6.659 -12.807 1.591 1.00 0.00 H new ATOM 0 HB3 ARG D 45 6.576 -14.224 0.563 1.00 0.00 H new ATOM 0 HG2 ARG D 45 4.097 -14.318 0.871 1.00 0.00 H new ATOM 0 HG3 ARG D 45 4.167 -12.927 1.935 1.00 0.00 H new ATOM 0 HD2 ARG D 45 5.131 -11.548 0.088 1.00 0.00 H new ATOM 0 HD3 ARG D 45 5.103 -12.939 -0.978 1.00 0.00 H new ATOM 0 HE ARG D 45 2.767 -11.342 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG D 45 4.038 -14.290 -1.524 1.00 0.00 H new ATOM 0 HH12 ARG D 45 2.541 -14.676 -2.380 1.00 0.00 H new ATOM 0 HH21 ARG D 45 0.849 -11.851 -1.203 1.00 0.00 H new ATOM 0 HH22 ARG D 45 0.752 -13.307 -2.199 1.00 0.00 H new ATOM 1958 N LEU D 46 8.363 -14.652 3.665 1.00 0.00 N ATOM 1959 CA LEU D 46 9.727 -15.133 3.862 1.00 0.00 C ATOM 1960 C LEU D 46 9.725 -16.574 4.359 1.00 0.00 C ATOM 1961 O LEU D 46 10.489 -17.409 3.873 1.00 0.00 O ATOM 1962 CB LEU D 46 10.456 -14.230 4.872 1.00 0.00 C ATOM 1963 CG LEU D 46 11.938 -14.671 5.038 1.00 0.00 C ATOM 1964 CD1 LEU D 46 12.832 -13.436 5.193 1.00 0.00 C ATOM 1965 CD2 LEU D 46 12.104 -15.550 6.295 1.00 0.00 C ATOM 0 H LEU D 46 8.101 -13.863 4.256 1.00 0.00 H new ATOM 0 HA LEU D 46 10.248 -15.100 2.905 1.00 0.00 H new ATOM 0 HB2 LEU D 46 10.416 -13.194 4.536 1.00 0.00 H new ATOM 0 HB3 LEU D 46 9.949 -14.272 5.836 1.00 0.00 H new ATOM 0 HG LEU D 46 12.225 -15.239 4.153 1.00 0.00 H new ATOM 0 HD11 LEU D 46 13.869 -13.750 5.309 1.00 0.00 H new ATOM 0 HD12 LEU D 46 12.740 -12.807 4.308 1.00 0.00 H new ATOM 0 HD13 LEU D 46 12.523 -12.871 6.073 1.00 0.00 H new ATOM 0 HD21 LEU D 46 13.147 -15.849 6.395 1.00 0.00 H new ATOM 0 HD22 LEU D 46 11.803 -14.985 7.177 1.00 0.00 H new ATOM 0 HD23 LEU D 46 11.479 -16.438 6.203 1.00 0.00 H new ATOM 1977 N PHE D 47 8.867 -16.858 5.331 1.00 0.00 N ATOM 1978 CA PHE D 47 8.786 -18.205 5.889 1.00 0.00 C ATOM 1979 C PHE D 47 8.344 -19.201 4.822 1.00 0.00 C ATOM 1980 O PHE D 47 8.906 -20.290 4.707 1.00 0.00 O ATOM 1981 CB PHE D 47 7.797 -18.230 7.055 1.00 0.00 C ATOM 1982 CG PHE D 47 8.334 -17.381 8.183 1.00 0.00 C ATOM 1983 CD1 PHE D 47 9.318 -17.890 9.040 1.00 0.00 C ATOM 1984 CD2 PHE D 47 7.849 -16.082 8.371 1.00 0.00 C ATOM 1985 CE1 PHE D 47 9.819 -17.099 10.080 1.00 0.00 C ATOM 1986 CE2 PHE D 47 8.349 -15.290 9.410 1.00 0.00 C ATOM 1987 CZ PHE D 47 9.334 -15.799 10.266 1.00 0.00 C ATOM 0 H PHE D 47 8.224 -16.184 5.746 1.00 0.00 H new ATOM 0 HA PHE D 47 9.775 -18.489 6.247 1.00 0.00 H new ATOM 0 HB2 PHE D 47 6.826 -17.854 6.732 1.00 0.00 H new ATOM 0 HB3 PHE D 47 7.645 -19.254 7.396 1.00 0.00 H new ATOM 0 HD1 PHE D 47 9.690 -18.894 8.898 1.00 0.00 H new ATOM 0 HD2 PHE D 47 7.087 -15.690 7.713 1.00 0.00 H new ATOM 0 HE1 PHE D 47 10.580 -17.491 10.739 1.00 0.00 H new ATOM 0 HE2 PHE D 47 7.976 -14.287 9.552 1.00 0.00 H new ATOM 0 HZ PHE D 47 9.719 -15.189 11.069 1.00 0.00 H new ATOM 1997 N PHE D 48 7.331 -18.820 4.048 1.00 0.00 N ATOM 1998 CA PHE D 48 6.811 -19.683 2.990 1.00 0.00 C ATOM 1999 C PHE D 48 6.273 -18.849 1.835 1.00 0.00 C ATOM 2000 O PHE D 48 5.872 -17.699 2.020 1.00 0.00 O ATOM 2001 CB PHE D 48 5.697 -20.571 3.552 1.00 0.00 C ATOM 2002 CG PHE D 48 4.593 -19.706 4.113 1.00 0.00 C ATOM 2003 CD1 PHE D 48 3.534 -19.298 3.294 1.00 0.00 C ATOM 2004 CD2 PHE D 48 4.633 -19.310 5.456 1.00 0.00 C ATOM 2005 CE1 PHE D 48 2.511 -18.497 3.819 1.00 0.00 C ATOM 2006 CE2 PHE D 48 3.610 -18.510 5.980 1.00 0.00 C ATOM 2007 CZ PHE D 48 2.551 -18.102 5.161 1.00 0.00 C ATOM 0 H PHE D 48 6.855 -17.922 4.133 1.00 0.00 H new ATOM 0 HA PHE D 48 7.622 -20.308 2.618 1.00 0.00 H new ATOM 0 HB2 PHE D 48 5.303 -21.217 2.768 1.00 0.00 H new ATOM 0 HB3 PHE D 48 6.095 -21.221 4.331 1.00 0.00 H new ATOM 0 HD1 PHE D 48 3.505 -19.600 2.258 1.00 0.00 H new ATOM 0 HD2 PHE D 48 5.452 -19.621 6.087 1.00 0.00 H new ATOM 0 HE1 PHE D 48 1.692 -18.185 3.188 1.00 0.00 H new ATOM 0 HE2 PHE D 48 3.638 -18.208 7.016 1.00 0.00 H new ATOM 0 HZ PHE D 48 1.764 -17.482 5.565 1.00 0.00 H new ATOM 2017 N LYS D 49 6.266 -19.435 0.642 1.00 0.00 N ATOM 2018 CA LYS D 49 5.777 -18.736 -0.541 1.00 0.00 C ATOM 2019 C LYS D 49 6.417 -17.355 -0.650 1.00 0.00 C ATOM 2020 O LYS D 49 5.679 -16.386 -0.728 1.00 0.00 O ATOM 2021 CB LYS D 49 4.255 -18.592 -0.472 1.00 0.00 C ATOM 2022 CG LYS D 49 3.607 -19.972 -0.599 1.00 0.00 C ATOM 2023 CD LYS D 49 2.085 -19.829 -0.513 1.00 0.00 C ATOM 2024 CE LYS D 49 1.434 -21.209 -0.623 1.00 0.00 C ATOM 2025 NZ LYS D 49 -0.046 -21.068 -0.541 1.00 0.00 N ATOM 2026 OXT LYS D 49 7.635 -17.287 -0.654 1.00 0.00 O ATOM 0 H LYS D 49 6.591 -20.386 0.469 1.00 0.00 H new ATOM 0 HA LYS D 49 6.046 -19.319 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS D 49 3.965 -18.127 0.470 1.00 0.00 H new ATOM 0 HB3 LYS D 49 3.904 -17.939 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS D 49 3.887 -20.432 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS D 49 3.967 -20.629 0.193 1.00 0.00 H new ATOM 0 HD2 LYS D 49 1.806 -19.358 0.430 1.00 0.00 H new ATOM 0 HD3 LYS D 49 1.725 -19.181 -1.312 1.00 0.00 H new ATOM 0 HE2 LYS D 49 1.713 -21.681 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS D 49 1.793 -21.857 0.177 1.00 0.00 H new ATOM 0 HZ1 LYS D 49 -0.489 -22.006 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS D 49 -0.304 -20.635 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS D 49 -0.381 -20.464 -1.319 1.00 0.00 H new TER 2040 LYS D 49 HETATM 2041 S 3LW C 100 -0.767 8.708 0.905 1.00 0.00 S HETATM 2042 BR 3LW C 100 -1.894 11.290 1.852 1.00 0.00 BR HETATM 2043 C1 3LW C 100 -0.667 10.170 0.927 1.00 0.00 C HETATM 2044 C2 3LW C 100 0.373 10.625 0.222 1.00 0.00 C HETATM 2045 N2 3LW C 100 -0.110 6.074 0.173 1.00 0.00 N HETATM 2046 C3 3LW C 100 1.021 9.576 -0.293 1.00 0.00 C HETATM 2047 C5 3LW C 100 0.856 7.054 -0.333 1.00 0.00 C HETATM 2048 C10 3LW C 100 0.163 4.628 -0.033 1.00 0.00 C HETATM 2049 C12 3LW C 100 0.410 8.433 0.063 1.00 0.00 C HETATM 2050 C61 3LW C 100 0.211 4.252 -1.543 1.00 0.00 C HETATM 2051 C62 3LW C 100 -0.951 3.761 0.613 1.00 0.00 C HETATM 2052 C63 3LW C 100 1.513 4.177 0.603 1.00 0.00 C HETATM 2053 C71 3LW C 100 0.470 2.743 -1.740 1.00 0.00 C HETATM 2054 C72 3LW C 100 -0.692 2.254 0.406 1.00 0.00 C HETATM 2055 C73 3LW C 100 1.763 2.671 0.391 1.00 0.00 C HETATM 2056 C81 3LW C 100 -0.652 1.926 -1.087 1.00 0.00 C HETATM 2057 C82 3LW C 100 0.642 1.854 1.043 1.00 0.00 C HETATM 2058 C83 3LW C 100 1.812 2.355 -1.109 1.00 0.00 C