USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1350 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 HIS : no HD1:sc= -0.277 X(o=-26,f=-25) USER MOD Set 1.2: A 25 HIS : no HD1:sc= -14.7! C(o=-26!,f=-27!) USER MOD Set 1.3: B 85 HIS : no HD1:sc= -10.7! C(o=-26!,f=-25!) USER MOD Set 2.1: A 81 THR OG1 : rot -18:sc= -1.95! USER MOD Set 2.2: B 74 MET CE :methyl 150:sc= -0.457 (180deg=-1.98) USER MOD Set 3.1: B 37 ASN : amide:sc= -0.0712 K(o=0.037,f=-3.6!) USER MOD Set 3.2: B 41 SER OG : rot 132:sc= 0.109 USER MOD Set 4.1: A 85 HIS : no HD1:sc= -10.2! C(o=-24!,f=-24!) USER MOD Set 4.2: B 15 HIS : no HD1:sc= -0.267 K(o=-24,f=-24) USER MOD Set 4.3: B 25 HIS : no HD1:sc= -13.8! C(o=-24!,f=-27!) USER MOD Set 5.1: A 74 MET CE :methyl 148:sc= -0.384 (180deg=-1.94) USER MOD Set 5.2: B 81 THR OG1 : rot -20:sc= -1.97! USER MOD Set 6.1: A 37 ASN : amide:sc= -0.0848 K(o=-0.0029,f=-3.7!) USER MOD Set 6.2: A 41 SER OG : rot 131:sc= 0.0819 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 0:sc= 0 USER MOD Single : A 18 SER OG : rot 110:sc= -4.24! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -101:sc= -9.94! (180deg=-11!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= -1.18 (180deg=-2.85!) USER MOD Single : A 38 ASN : amide:sc= -4.43! C(o=-4.4!,f=-11!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0096) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc=-0.00737 (180deg=-0.396) USER MOD Single : A 50 GLN : amide:sc= -6.29! C(o=-6.3!,f=-6.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 175:sc= -0.957 (180deg=-1.16) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 39:sc= -2.72! USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot -173:sc= 0.191 USER MOD Single : A 79 MET CE :methyl 177:sc= 0 (180deg=-0.00258) USER MOD Single : A 82 THR OG1 : rot 21:sc= -1.31 USER MOD Single : A 84 CYS SG : rot 76:sc= 0.999 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.5!) USER MOD Single : B 17 TYR OH : rot 0:sc= 0 USER MOD Single : B 18 SER OG : rot 110:sc= -4.34! USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -99:sc= -9.93! (180deg=-11.1!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ -145:sc= -1.12 (180deg=-2.79!) USER MOD Single : B 38 ASN : amide:sc= -4.55! C(o=-4.6!,f=-11!) USER MOD Single : B 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 48 LYS NZ :NH3+ -164:sc= -0.0269 (180deg=-0.353) USER MOD Single : B 50 GLN : amide:sc= -6.32! C(o=-6.3!,f=-7.1!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl 174:sc= -0.983 (180deg=-1.2) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 CYS SG : rot 31:sc= -2.77! USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 78 SER OG : rot -173:sc= 0.136 USER MOD Single : B 79 MET CE :methyl 175:sc= 0 (180deg=-0.00473) USER MOD Single : B 82 THR OG1 : rot 18:sc= -1.38 USER MOD Single : B 84 CYS SG : rot 80:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.531 1.402 12.673 1.00 0.00 N ATOM 32 CA GLU A 2 -6.480 0.465 12.197 1.00 0.00 C ATOM 33 C GLU A 2 -5.807 1.049 10.957 1.00 0.00 C ATOM 34 O GLU A 2 -4.664 0.760 10.665 1.00 0.00 O ATOM 35 CB GLU A 2 -7.115 -0.883 11.852 1.00 0.00 C ATOM 36 CG GLU A 2 -7.549 -1.582 13.142 1.00 0.00 C ATOM 37 CD GLU A 2 -8.078 -2.978 12.816 1.00 0.00 C ATOM 38 OE1 GLU A 2 -9.102 -3.064 12.160 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.449 -3.940 13.228 1.00 0.00 O ATOM 0 HA GLU A 2 -5.736 0.321 12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.974 -0.736 11.197 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.403 -1.505 11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.707 -1.653 13.830 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.321 -0.997 13.642 1.00 0.00 H new ATOM 46 N LEU A 3 -6.502 1.877 10.222 1.00 0.00 N ATOM 47 CA LEU A 3 -5.888 2.476 9.002 1.00 0.00 C ATOM 48 C LEU A 3 -4.981 3.645 9.415 1.00 0.00 C ATOM 49 O LEU A 3 -4.025 3.960 8.742 1.00 0.00 O ATOM 50 CB LEU A 3 -7.007 2.972 8.049 1.00 0.00 C ATOM 51 CG LEU A 3 -7.270 1.963 6.906 1.00 0.00 C ATOM 52 CD1 LEU A 3 -6.210 2.129 5.810 1.00 0.00 C ATOM 53 CD2 LEU A 3 -7.262 0.509 7.429 1.00 0.00 C ATOM 0 H LEU A 3 -7.462 2.163 10.413 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.290 1.728 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.925 3.129 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.725 3.936 7.626 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.257 2.169 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.401 1.416 5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.254 3.143 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.221 1.947 6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.450 -0.176 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.291 0.287 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.040 0.389 8.183 1.00 0.00 H new ATOM 65 N GLU A 4 -5.261 4.281 10.518 1.00 0.00 N ATOM 66 CA GLU A 4 -4.397 5.413 10.954 1.00 0.00 C ATOM 67 C GLU A 4 -3.091 4.852 11.514 1.00 0.00 C ATOM 68 O GLU A 4 -2.052 5.476 11.438 1.00 0.00 O ATOM 69 CB GLU A 4 -5.115 6.232 12.035 1.00 0.00 C ATOM 70 CG GLU A 4 -4.138 7.243 12.677 1.00 0.00 C ATOM 71 CD GLU A 4 -3.424 6.603 13.873 1.00 0.00 C ATOM 72 OE1 GLU A 4 -3.989 6.619 14.954 1.00 0.00 O ATOM 73 OE2 GLU A 4 -2.323 6.110 13.689 1.00 0.00 O ATOM 0 H GLU A 4 -6.046 4.068 11.133 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.186 6.062 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.962 6.761 11.598 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.515 5.566 12.800 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.405 7.570 11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.682 8.130 13.001 1.00 0.00 H new ATOM 80 N LYS A 5 -3.135 3.672 12.063 1.00 0.00 N ATOM 81 CA LYS A 5 -1.900 3.062 12.615 1.00 0.00 C ATOM 82 C LYS A 5 -0.968 2.702 11.455 1.00 0.00 C ATOM 83 O LYS A 5 0.216 2.977 11.484 1.00 0.00 O ATOM 84 CB LYS A 5 -2.279 1.795 13.401 1.00 0.00 C ATOM 85 CG LYS A 5 -2.715 2.177 14.829 1.00 0.00 C ATOM 86 CD LYS A 5 -3.594 1.055 15.452 1.00 0.00 C ATOM 87 CE LYS A 5 -5.081 1.450 15.431 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.382 2.304 16.615 1.00 0.00 N ATOM 0 H LYS A 5 -3.977 3.103 12.153 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.394 3.760 13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.087 1.269 12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.430 1.113 13.440 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.836 2.345 15.451 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.273 3.113 14.806 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.452 0.126 14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.278 0.867 16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.313 1.988 14.512 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.706 0.557 15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.387 2.572 16.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.175 1.775 17.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.794 3.161 16.583 1.00 0.00 H new ATOM 102 N ALA A 6 -1.498 2.084 10.438 1.00 0.00 N ATOM 103 CA ALA A 6 -0.660 1.691 9.269 1.00 0.00 C ATOM 104 C ALA A 6 -0.073 2.928 8.594 1.00 0.00 C ATOM 105 O ALA A 6 1.120 3.034 8.397 1.00 0.00 O ATOM 106 CB ALA A 6 -1.530 0.941 8.258 1.00 0.00 C ATOM 0 H ALA A 6 -2.484 1.832 10.365 1.00 0.00 H new ATOM 0 HA ALA A 6 0.154 1.054 9.617 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.923 0.651 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.946 0.049 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.342 1.588 7.926 1.00 0.00 H new ATOM 112 N MET A 7 -0.906 3.851 8.219 1.00 0.00 N ATOM 113 CA MET A 7 -0.405 5.072 7.531 1.00 0.00 C ATOM 114 C MET A 7 0.702 5.728 8.354 1.00 0.00 C ATOM 115 O MET A 7 1.663 6.240 7.816 1.00 0.00 O ATOM 116 CB MET A 7 -1.559 6.072 7.347 1.00 0.00 C ATOM 117 CG MET A 7 -2.557 5.553 6.300 1.00 0.00 C ATOM 118 SD MET A 7 -3.387 6.958 5.507 1.00 0.00 S ATOM 119 CE MET A 7 -5.063 6.681 6.145 1.00 0.00 C ATOM 0 H MET A 7 -1.916 3.815 8.358 1.00 0.00 H new ATOM 0 HA MET A 7 -0.005 4.786 6.558 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.068 6.228 8.298 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.164 7.039 7.034 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.037 4.954 5.552 1.00 0.00 H new ATOM 0 HG3 MET A 7 -3.292 4.903 6.774 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.730 7.454 5.764 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.419 5.703 5.821 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.049 6.719 7.234 1.00 0.00 H new ATOM 129 N VAL A 8 0.582 5.727 9.649 1.00 0.00 N ATOM 130 CA VAL A 8 1.641 6.366 10.482 1.00 0.00 C ATOM 131 C VAL A 8 2.857 5.445 10.528 1.00 0.00 C ATOM 132 O VAL A 8 3.987 5.879 10.435 1.00 0.00 O ATOM 133 CB VAL A 8 1.094 6.607 11.904 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.248 6.762 12.910 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.241 7.880 11.912 1.00 0.00 C ATOM 0 H VAL A 8 -0.195 5.316 10.166 1.00 0.00 H new ATOM 0 HA VAL A 8 1.934 7.324 10.052 1.00 0.00 H new ATOM 0 HB VAL A 8 0.488 5.749 12.195 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.841 6.931 13.907 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.852 5.855 12.914 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.869 7.610 12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.147 8.052 12.916 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.853 8.730 11.609 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.591 7.765 11.217 1.00 0.00 H new ATOM 145 N ALA A 9 2.627 4.183 10.683 1.00 0.00 N ATOM 146 CA ALA A 9 3.759 3.231 10.751 1.00 0.00 C ATOM 147 C ALA A 9 4.586 3.297 9.462 1.00 0.00 C ATOM 148 O ALA A 9 5.793 3.149 9.485 1.00 0.00 O ATOM 149 CB ALA A 9 3.214 1.819 10.937 1.00 0.00 C ATOM 0 H ALA A 9 1.700 3.765 10.766 1.00 0.00 H new ATOM 0 HA ALA A 9 4.400 3.495 11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.043 1.113 10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.638 1.770 11.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.571 1.563 10.095 1.00 0.00 H new ATOM 155 N LEU A 10 3.958 3.499 8.330 1.00 0.00 N ATOM 156 CA LEU A 10 4.742 3.544 7.059 1.00 0.00 C ATOM 157 C LEU A 10 5.404 4.917 6.873 1.00 0.00 C ATOM 158 O LEU A 10 6.568 4.998 6.578 1.00 0.00 O ATOM 159 CB LEU A 10 3.809 3.239 5.866 1.00 0.00 C ATOM 160 CG LEU A 10 3.811 1.735 5.556 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.129 0.972 6.691 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.057 1.493 4.252 1.00 0.00 C ATOM 0 H LEU A 10 2.952 3.633 8.232 1.00 0.00 H new ATOM 0 HA LEU A 10 5.529 2.792 7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.796 3.568 6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.135 3.798 4.989 1.00 0.00 H new ATOM 0 HG LEU A 10 4.838 1.384 5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.133 -0.095 6.466 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.667 1.149 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.100 1.317 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.054 0.427 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.030 1.845 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.547 2.035 3.443 1.00 0.00 H new ATOM 174 N ILE A 11 4.679 5.986 7.027 1.00 0.00 N ATOM 175 CA ILE A 11 5.284 7.341 6.825 1.00 0.00 C ATOM 176 C ILE A 11 6.631 7.414 7.551 1.00 0.00 C ATOM 177 O ILE A 11 7.522 8.140 7.154 1.00 0.00 O ATOM 178 CB ILE A 11 4.334 8.411 7.381 1.00 0.00 C ATOM 179 CG1 ILE A 11 3.128 8.549 6.447 1.00 0.00 C ATOM 180 CG2 ILE A 11 5.055 9.763 7.472 1.00 0.00 C ATOM 181 CD1 ILE A 11 2.033 9.377 7.128 1.00 0.00 C ATOM 0 H ILE A 11 3.692 5.986 7.284 1.00 0.00 H new ATOM 0 HA ILE A 11 5.441 7.516 5.761 1.00 0.00 H new ATOM 0 HB ILE A 11 4.006 8.112 8.376 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.431 9.027 5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.743 7.563 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.371 10.514 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.916 9.672 8.134 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.390 10.064 6.479 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.178 9.471 6.458 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.721 8.881 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.420 10.368 7.364 1.00 0.00 H new ATOM 193 N ASP A 12 6.787 6.671 8.608 1.00 0.00 N ATOM 194 CA ASP A 12 8.078 6.701 9.353 1.00 0.00 C ATOM 195 C ASP A 12 9.118 5.860 8.610 1.00 0.00 C ATOM 196 O ASP A 12 10.209 6.310 8.329 1.00 0.00 O ATOM 197 CB ASP A 12 7.868 6.135 10.759 1.00 0.00 C ATOM 198 CG ASP A 12 9.195 6.149 11.519 1.00 0.00 C ATOM 199 OD1 ASP A 12 10.177 6.603 10.954 1.00 0.00 O ATOM 200 OD2 ASP A 12 9.209 5.707 12.657 1.00 0.00 O ATOM 0 H ASP A 12 6.079 6.044 8.990 1.00 0.00 H new ATOM 0 HA ASP A 12 8.432 7.729 9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.125 6.727 11.293 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.482 5.117 10.699 1.00 0.00 H new ATOM 205 N VAL A 13 8.782 4.646 8.288 1.00 0.00 N ATOM 206 CA VAL A 13 9.740 3.769 7.554 1.00 0.00 C ATOM 207 C VAL A 13 9.785 4.197 6.085 1.00 0.00 C ATOM 208 O VAL A 13 10.765 4.004 5.394 1.00 0.00 O ATOM 209 CB VAL A 13 9.266 2.314 7.669 1.00 0.00 C ATOM 210 CG1 VAL A 13 10.293 1.370 7.041 1.00 0.00 C ATOM 211 CG2 VAL A 13 9.084 1.963 9.148 1.00 0.00 C ATOM 0 H VAL A 13 7.881 4.218 8.501 1.00 0.00 H new ATOM 0 HA VAL A 13 10.740 3.857 7.980 1.00 0.00 H new ATOM 0 HB VAL A 13 8.319 2.202 7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.944 0.341 7.130 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.421 1.620 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.247 1.475 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.747 0.930 9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.034 2.082 9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.341 2.627 9.591 1.00 0.00 H new ATOM 221 N PHE A 14 8.716 4.768 5.610 1.00 0.00 N ATOM 222 CA PHE A 14 8.687 5.202 4.184 1.00 0.00 C ATOM 223 C PHE A 14 9.564 6.452 3.993 1.00 0.00 C ATOM 224 O PHE A 14 10.288 6.564 3.023 1.00 0.00 O ATOM 225 CB PHE A 14 7.240 5.487 3.738 1.00 0.00 C ATOM 226 CG PHE A 14 7.228 6.307 2.456 1.00 0.00 C ATOM 227 CD1 PHE A 14 8.120 6.016 1.410 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.330 7.373 2.325 1.00 0.00 C ATOM 229 CE1 PHE A 14 8.111 6.791 0.247 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.320 8.142 1.157 1.00 0.00 C ATOM 231 CZ PHE A 14 7.214 7.852 0.121 1.00 0.00 C ATOM 0 H PHE A 14 7.865 4.953 6.142 1.00 0.00 H new ATOM 0 HA PHE A 14 9.085 4.398 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.710 4.548 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.710 6.024 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.813 5.193 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.644 7.602 3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.799 6.568 -0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.622 8.960 1.055 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.210 8.451 -0.778 1.00 0.00 H new ATOM 241 N HIS A 15 9.488 7.401 4.887 1.00 0.00 N ATOM 242 CA HIS A 15 10.300 8.645 4.722 1.00 0.00 C ATOM 243 C HIS A 15 11.764 8.401 5.126 1.00 0.00 C ATOM 244 O HIS A 15 12.667 9.035 4.617 1.00 0.00 O ATOM 245 CB HIS A 15 9.700 9.759 5.596 1.00 0.00 C ATOM 246 CG HIS A 15 10.053 11.117 5.037 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.462 12.281 5.508 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.910 11.513 4.037 1.00 0.00 C ATOM 249 CE1 HIS A 15 9.964 13.307 4.800 1.00 0.00 C ATOM 250 NE2 HIS A 15 10.850 12.896 3.889 1.00 0.00 N ATOM 0 H HIS A 15 8.902 7.371 5.721 1.00 0.00 H new ATOM 0 HA HIS A 15 10.280 8.942 3.673 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.617 9.649 5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.074 9.670 6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.535 10.852 3.455 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.685 14.339 4.950 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.371 13.472 3.227 1.00 0.00 H new ATOM 258 N GLN A 16 12.008 7.505 6.043 1.00 0.00 N ATOM 259 CA GLN A 16 13.412 7.247 6.482 1.00 0.00 C ATOM 260 C GLN A 16 14.218 6.615 5.341 1.00 0.00 C ATOM 261 O GLN A 16 15.396 6.872 5.171 1.00 0.00 O ATOM 262 CB GLN A 16 13.392 6.290 7.675 1.00 0.00 C ATOM 263 CG GLN A 16 12.921 7.035 8.928 1.00 0.00 C ATOM 264 CD GLN A 16 14.069 7.875 9.492 1.00 0.00 C ATOM 265 OE1 GLN A 16 15.127 7.955 8.900 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.905 8.505 10.622 1.00 0.00 N ATOM 0 H GLN A 16 11.297 6.940 6.508 1.00 0.00 H new ATOM 0 HA GLN A 16 13.878 8.191 6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.728 5.450 7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.387 5.877 7.839 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.074 7.676 8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.576 6.323 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.017 8.438 11.119 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.665 9.065 11.009 1.00 0.00 H new ATOM 275 N TYR A 17 13.587 5.807 4.543 1.00 0.00 N ATOM 276 CA TYR A 17 14.309 5.167 3.406 1.00 0.00 C ATOM 277 C TYR A 17 14.182 6.060 2.179 1.00 0.00 C ATOM 278 O TYR A 17 15.165 6.488 1.610 1.00 0.00 O ATOM 279 CB TYR A 17 13.695 3.793 3.131 1.00 0.00 C ATOM 280 CG TYR A 17 14.207 2.801 4.156 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.758 2.872 5.479 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.130 1.814 3.783 1.00 0.00 C ATOM 283 CE1 TYR A 17 14.229 1.960 6.430 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.602 0.901 4.734 1.00 0.00 C ATOM 285 CZ TYR A 17 15.151 0.974 6.057 1.00 0.00 C ATOM 286 OH TYR A 17 15.616 0.073 6.993 1.00 0.00 O ATOM 0 H TYR A 17 12.601 5.559 4.626 1.00 0.00 H new ATOM 0 HA TYR A 17 15.364 5.039 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.608 3.852 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.954 3.461 2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 17 13.047 3.632 5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.477 1.758 2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.882 2.016 7.451 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.314 0.141 4.447 1.00 0.00 H new ATOM 0 HH TYR A 17 15.204 0.262 7.862 1.00 0.00 H new ATOM 296 N SER A 18 12.986 6.368 1.777 1.00 0.00 N ATOM 297 CA SER A 18 12.819 7.255 0.601 1.00 0.00 C ATOM 298 C SER A 18 13.630 8.535 0.837 1.00 0.00 C ATOM 299 O SER A 18 13.982 9.243 -0.085 1.00 0.00 O ATOM 300 CB SER A 18 11.337 7.599 0.438 1.00 0.00 C ATOM 301 OG SER A 18 11.089 7.974 -0.910 1.00 0.00 O ATOM 0 H SER A 18 12.120 6.045 2.210 1.00 0.00 H new ATOM 0 HA SER A 18 13.171 6.759 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.721 6.742 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.064 8.413 1.110 1.00 0.00 H new ATOM 0 HG SER A 18 10.558 7.278 -1.351 1.00 0.00 H new ATOM 307 N GLY A 19 13.921 8.832 2.082 1.00 0.00 N ATOM 308 CA GLY A 19 14.703 10.064 2.413 1.00 0.00 C ATOM 309 C GLY A 19 16.173 9.704 2.660 1.00 0.00 C ATOM 310 O GLY A 19 16.996 10.567 2.896 1.00 0.00 O ATOM 0 H GLY A 19 13.648 8.269 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.629 10.782 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.284 10.543 3.298 1.00 0.00 H new ATOM 314 N ARG A 20 16.520 8.444 2.593 1.00 0.00 N ATOM 315 CA ARG A 20 17.944 8.047 2.807 1.00 0.00 C ATOM 316 C ARG A 20 18.818 8.715 1.743 1.00 0.00 C ATOM 317 O ARG A 20 19.883 9.227 2.028 1.00 0.00 O ATOM 318 CB ARG A 20 18.055 6.520 2.681 1.00 0.00 C ATOM 319 CG ARG A 20 19.506 6.052 2.868 1.00 0.00 C ATOM 320 CD ARG A 20 19.609 4.575 2.482 1.00 0.00 C ATOM 321 NE ARG A 20 20.934 4.040 2.903 1.00 0.00 N ATOM 322 CZ ARG A 20 21.148 3.734 4.152 1.00 0.00 C ATOM 323 NH1 ARG A 20 20.211 3.924 5.039 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.301 3.245 4.514 1.00 0.00 N ATOM 0 H ARG A 20 15.880 7.674 2.400 1.00 0.00 H new ATOM 0 HA ARG A 20 18.277 8.361 3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.417 6.044 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.692 6.206 1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.176 6.650 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.816 6.193 3.903 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.809 4.008 2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.485 4.461 1.405 1.00 0.00 H new ATOM 0 HE ARG A 20 21.675 3.913 2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.311 4.312 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.378 3.685 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.035 3.102 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 20 22.469 3.005 5.491 1.00 0.00 H new ATOM 338 N GLU A 21 18.373 8.710 0.520 1.00 0.00 N ATOM 339 CA GLU A 21 19.175 9.343 -0.570 1.00 0.00 C ATOM 340 C GLU A 21 18.300 9.559 -1.804 1.00 0.00 C ATOM 341 O GLU A 21 17.161 9.143 -1.850 1.00 0.00 O ATOM 342 CB GLU A 21 20.384 8.461 -0.934 1.00 0.00 C ATOM 343 CG GLU A 21 19.961 6.991 -1.171 1.00 0.00 C ATOM 344 CD GLU A 21 21.103 6.046 -0.776 1.00 0.00 C ATOM 345 OE1 GLU A 21 22.227 6.513 -0.678 1.00 0.00 O ATOM 346 OE2 GLU A 21 20.834 4.872 -0.581 1.00 0.00 O ATOM 0 H GLU A 21 17.489 8.296 0.224 1.00 0.00 H new ATOM 0 HA GLU A 21 19.541 10.307 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.864 8.852 -1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.122 8.504 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.070 6.762 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.702 6.843 -2.219 1.00 0.00 H new ATOM 353 N GLY A 22 18.822 10.217 -2.805 1.00 0.00 N ATOM 354 CA GLY A 22 18.022 10.467 -4.042 1.00 0.00 C ATOM 355 C GLY A 22 17.342 11.831 -3.943 1.00 0.00 C ATOM 356 O GLY A 22 17.720 12.669 -3.150 1.00 0.00 O ATOM 0 H GLY A 22 19.770 10.593 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.669 10.434 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.274 9.684 -4.168 1.00 0.00 H new ATOM 360 N ASP A 23 16.342 12.062 -4.745 1.00 0.00 N ATOM 361 CA ASP A 23 15.639 13.372 -4.699 1.00 0.00 C ATOM 362 C ASP A 23 15.273 13.705 -3.252 1.00 0.00 C ATOM 363 O ASP A 23 15.969 14.440 -2.579 1.00 0.00 O ATOM 364 CB ASP A 23 14.369 13.298 -5.547 1.00 0.00 C ATOM 365 CG ASP A 23 14.742 12.974 -6.994 1.00 0.00 C ATOM 366 OD1 ASP A 23 15.673 12.209 -7.188 1.00 0.00 O ATOM 367 OD2 ASP A 23 14.093 13.497 -7.885 1.00 0.00 O ATOM 0 H ASP A 23 15.981 11.399 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 23 16.292 14.150 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.699 12.534 -5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.833 14.246 -5.502 1.00 0.00 H new ATOM 372 N LYS A 24 14.182 13.176 -2.766 1.00 0.00 N ATOM 373 CA LYS A 24 13.775 13.473 -1.364 1.00 0.00 C ATOM 374 C LYS A 24 12.598 12.570 -0.976 1.00 0.00 C ATOM 375 O LYS A 24 12.206 12.504 0.172 1.00 0.00 O ATOM 376 CB LYS A 24 13.367 14.954 -1.269 1.00 0.00 C ATOM 377 CG LYS A 24 12.813 15.290 0.125 1.00 0.00 C ATOM 378 CD LYS A 24 13.813 14.872 1.212 1.00 0.00 C ATOM 379 CE LYS A 24 13.481 15.599 2.518 1.00 0.00 C ATOM 380 NZ LYS A 24 14.276 15.009 3.632 1.00 0.00 N ATOM 0 H LYS A 24 13.557 12.553 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 24 14.603 13.283 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.229 15.586 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.614 15.176 -2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.614 16.359 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.863 14.778 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.772 13.793 1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.829 15.112 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.703 16.662 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.416 15.514 2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.050 15.503 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.043 14.000 3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.290 15.112 3.427 1.00 0.00 H new ATOM 394 N HIS A 25 12.027 11.861 -1.918 1.00 0.00 N ATOM 395 CA HIS A 25 10.877 10.975 -1.565 1.00 0.00 C ATOM 396 C HIS A 25 10.672 9.897 -2.639 1.00 0.00 C ATOM 397 O HIS A 25 9.587 9.714 -3.156 1.00 0.00 O ATOM 398 CB HIS A 25 9.612 11.854 -1.414 1.00 0.00 C ATOM 399 CG HIS A 25 8.809 11.430 -0.210 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.319 11.500 1.079 1.00 0.00 N ATOM 401 CD2 HIS A 25 7.532 10.943 -0.082 1.00 0.00 C ATOM 402 CE1 HIS A 25 8.361 11.066 1.918 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.256 10.718 1.260 1.00 0.00 N ATOM 0 H HIS A 25 12.302 11.857 -2.900 1.00 0.00 H new ATOM 0 HA HIS A 25 11.080 10.461 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.900 12.901 -1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.999 11.776 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 25 6.848 10.763 -0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.474 11.007 2.990 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.388 10.361 1.659 1.00 0.00 H new ATOM 411 N LYS A 26 11.705 9.164 -2.961 1.00 0.00 N ATOM 412 CA LYS A 26 11.584 8.077 -3.976 1.00 0.00 C ATOM 413 C LYS A 26 12.337 6.856 -3.452 1.00 0.00 C ATOM 414 O LYS A 26 13.309 6.980 -2.740 1.00 0.00 O ATOM 415 CB LYS A 26 12.206 8.544 -5.299 1.00 0.00 C ATOM 416 CG LYS A 26 11.733 7.644 -6.458 1.00 0.00 C ATOM 417 CD LYS A 26 10.384 8.144 -7.013 1.00 0.00 C ATOM 418 CE LYS A 26 10.612 9.277 -8.025 1.00 0.00 C ATOM 419 NZ LYS A 26 10.883 8.693 -9.371 1.00 0.00 N ATOM 0 H LYS A 26 12.636 9.273 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 26 10.537 7.828 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.926 9.579 -5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.293 8.516 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.480 7.640 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.631 6.616 -6.110 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.852 7.321 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.755 8.498 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.736 9.924 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.451 9.897 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.038 9.459 -10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.731 8.093 -9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.069 8.119 -9.671 1.00 0.00 H new ATOM 433 N LEU A 27 11.891 5.676 -3.775 1.00 0.00 N ATOM 434 CA LEU A 27 12.591 4.455 -3.263 1.00 0.00 C ATOM 435 C LEU A 27 13.735 4.071 -4.217 1.00 0.00 C ATOM 436 O LEU A 27 13.541 3.883 -5.403 1.00 0.00 O ATOM 437 CB LEU A 27 11.569 3.298 -3.146 1.00 0.00 C ATOM 438 CG LEU A 27 11.941 2.324 -1.996 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.695 1.569 -1.541 1.00 0.00 C ATOM 440 CD2 LEU A 27 12.980 1.310 -2.484 1.00 0.00 C ATOM 0 H LEU A 27 11.079 5.499 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 27 13.017 4.656 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.574 3.707 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.527 2.751 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 27 12.352 2.900 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.958 0.886 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.948 2.279 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.287 1.002 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.235 0.631 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.569 0.740 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.876 1.837 -2.812 1.00 0.00 H new ATOM 452 N LYS A 28 14.926 3.941 -3.687 1.00 0.00 N ATOM 453 CA LYS A 28 16.115 3.553 -4.512 1.00 0.00 C ATOM 454 C LYS A 28 16.419 2.073 -4.248 1.00 0.00 C ATOM 455 O LYS A 28 16.230 1.593 -3.154 1.00 0.00 O ATOM 456 CB LYS A 28 17.332 4.381 -4.066 1.00 0.00 C ATOM 457 CG LYS A 28 17.365 5.751 -4.762 1.00 0.00 C ATOM 458 CD LYS A 28 16.137 6.595 -4.401 1.00 0.00 C ATOM 459 CE LYS A 28 16.022 6.758 -2.881 1.00 0.00 C ATOM 460 NZ LYS A 28 17.380 6.801 -2.278 1.00 0.00 N ATOM 0 H LYS A 28 15.129 4.090 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 28 15.911 3.728 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.302 4.521 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.248 3.835 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.271 6.284 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.406 5.611 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.211 7.575 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.236 6.121 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 28 15.479 7.673 -2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.452 5.930 -2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.606 5.873 -1.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.079 7.033 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.406 7.526 -1.533 1.00 0.00 H new ATOM 474 N LYS A 29 16.900 1.340 -5.217 1.00 0.00 N ATOM 475 CA LYS A 29 17.217 -0.098 -4.955 1.00 0.00 C ATOM 476 C LYS A 29 18.014 -0.207 -3.645 1.00 0.00 C ATOM 477 O LYS A 29 17.712 -1.014 -2.790 1.00 0.00 O ATOM 478 CB LYS A 29 18.041 -0.670 -6.116 1.00 0.00 C ATOM 479 CG LYS A 29 17.170 -0.773 -7.378 1.00 0.00 C ATOM 480 CD LYS A 29 17.799 -1.760 -8.363 1.00 0.00 C ATOM 481 CE LYS A 29 19.194 -1.277 -8.753 1.00 0.00 C ATOM 482 NZ LYS A 29 19.671 -2.044 -9.938 1.00 0.00 N ATOM 0 H LYS A 29 17.086 1.666 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 29 16.291 -0.666 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.903 -0.032 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.427 -1.654 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.165 -1.101 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.072 0.207 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.859 -2.751 -7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.174 -1.851 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.171 -0.211 -8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.883 -1.410 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.621 -1.716 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.707 -3.057 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.018 -1.896 -10.734 1.00 0.00 H new ATOM 496 N SER A 30 19.018 0.618 -3.473 1.00 0.00 N ATOM 497 CA SER A 30 19.817 0.576 -2.208 1.00 0.00 C ATOM 498 C SER A 30 18.859 0.593 -1.013 1.00 0.00 C ATOM 499 O SER A 30 19.228 0.285 0.100 1.00 0.00 O ATOM 500 CB SER A 30 20.733 1.801 -2.135 1.00 0.00 C ATOM 501 OG SER A 30 21.652 1.769 -3.219 1.00 0.00 O ATOM 0 H SER A 30 19.318 1.317 -4.152 1.00 0.00 H new ATOM 0 HA SER A 30 20.423 -0.330 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.140 2.715 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.272 1.810 -1.187 1.00 0.00 H new ATOM 0 HG SER A 30 22.238 2.553 -3.175 1.00 0.00 H new ATOM 507 N GLU A 31 17.620 0.920 -1.260 1.00 0.00 N ATOM 508 CA GLU A 31 16.597 0.934 -0.165 1.00 0.00 C ATOM 509 C GLU A 31 15.745 -0.323 -0.259 1.00 0.00 C ATOM 510 O GLU A 31 15.360 -0.888 0.735 1.00 0.00 O ATOM 511 CB GLU A 31 15.725 2.184 -0.272 1.00 0.00 C ATOM 512 CG GLU A 31 16.617 3.418 -0.141 1.00 0.00 C ATOM 513 CD GLU A 31 15.765 4.684 -0.215 1.00 0.00 C ATOM 514 OE1 GLU A 31 14.551 4.562 -0.194 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.343 5.755 -0.293 1.00 0.00 O ATOM 0 H GLU A 31 17.266 1.181 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 31 17.099 0.953 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.200 2.197 -1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.965 2.183 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.158 3.388 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.363 3.424 -0.935 1.00 0.00 H new ATOM 522 N LEU A 32 15.450 -0.778 -1.440 1.00 0.00 N ATOM 523 CA LEU A 32 14.621 -2.009 -1.557 1.00 0.00 C ATOM 524 C LEU A 32 15.422 -3.200 -1.022 1.00 0.00 C ATOM 525 O LEU A 32 14.936 -3.977 -0.223 1.00 0.00 O ATOM 526 CB LEU A 32 14.211 -2.217 -3.036 1.00 0.00 C ATOM 527 CG LEU A 32 12.725 -2.602 -3.139 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.294 -2.607 -4.608 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.515 -3.994 -2.538 1.00 0.00 C ATOM 0 H LEU A 32 15.742 -0.358 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 32 13.709 -1.914 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.395 -1.304 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.826 -2.998 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 32 12.125 -1.876 -2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.241 -2.880 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.440 -1.614 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.894 -3.330 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.462 -4.267 -2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.117 -4.721 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.816 -3.987 -1.490 1.00 0.00 H new ATOM 541 N LYS A 33 16.647 -3.336 -1.433 1.00 0.00 N ATOM 542 CA LYS A 33 17.481 -4.457 -0.928 1.00 0.00 C ATOM 543 C LYS A 33 17.800 -4.192 0.549 1.00 0.00 C ATOM 544 O LYS A 33 17.862 -5.097 1.358 1.00 0.00 O ATOM 545 CB LYS A 33 18.783 -4.500 -1.749 1.00 0.00 C ATOM 546 CG LYS A 33 18.665 -5.512 -2.907 1.00 0.00 C ATOM 547 CD LYS A 33 19.655 -5.148 -4.027 1.00 0.00 C ATOM 548 CE LYS A 33 19.286 -3.794 -4.666 1.00 0.00 C ATOM 549 NZ LYS A 33 19.586 -3.838 -6.126 1.00 0.00 N ATOM 0 H LYS A 33 17.109 -2.717 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 33 16.960 -5.410 -1.023 1.00 0.00 H new ATOM 0 HB2 LYS A 33 19.001 -3.509 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.617 -4.775 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.869 -6.519 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.647 -5.514 -3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.666 -5.101 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.652 -5.928 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.229 -3.580 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.849 -2.990 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.899 -2.899 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.339 -4.533 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.730 -4.113 -6.648 1.00 0.00 H new ATOM 563 N GLU A 34 18.026 -2.955 0.892 1.00 0.00 N ATOM 564 CA GLU A 34 18.370 -2.631 2.314 1.00 0.00 C ATOM 565 C GLU A 34 17.107 -2.628 3.176 1.00 0.00 C ATOM 566 O GLU A 34 17.136 -3.001 4.332 1.00 0.00 O ATOM 567 CB GLU A 34 19.047 -1.264 2.398 1.00 0.00 C ATOM 568 CG GLU A 34 19.527 -1.018 3.830 1.00 0.00 C ATOM 569 CD GLU A 34 20.314 0.293 3.890 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.579 0.850 2.839 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.638 0.716 4.988 1.00 0.00 O ATOM 0 H GLU A 34 17.989 -2.156 0.259 1.00 0.00 H new ATOM 0 HA GLU A 34 19.056 -3.393 2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.890 -1.221 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.349 -0.482 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.674 -0.973 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.154 -1.846 4.161 1.00 0.00 H new ATOM 578 N LEU A 35 15.998 -2.224 2.626 1.00 0.00 N ATOM 579 CA LEU A 35 14.740 -2.214 3.420 1.00 0.00 C ATOM 580 C LEU A 35 14.293 -3.661 3.628 1.00 0.00 C ATOM 581 O LEU A 35 13.711 -4.003 4.639 1.00 0.00 O ATOM 582 CB LEU A 35 13.658 -1.423 2.662 1.00 0.00 C ATOM 583 CG LEU A 35 12.324 -1.413 3.439 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.376 -0.377 4.563 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.182 -1.046 2.483 1.00 0.00 C ATOM 0 H LEU A 35 15.908 -1.901 1.663 1.00 0.00 H new ATOM 0 HA LEU A 35 14.902 -1.737 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.997 -0.399 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.505 -1.864 1.677 1.00 0.00 H new ATOM 0 HG LEU A 35 12.157 -2.402 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.430 -0.379 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.186 -0.624 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.549 0.612 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.239 -1.038 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.365 -0.058 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.130 -1.781 1.679 1.00 0.00 H new ATOM 597 N ILE A 36 14.559 -4.514 2.678 1.00 0.00 N ATOM 598 CA ILE A 36 14.146 -5.934 2.824 1.00 0.00 C ATOM 599 C ILE A 36 15.070 -6.635 3.830 1.00 0.00 C ATOM 600 O ILE A 36 14.642 -7.467 4.605 1.00 0.00 O ATOM 601 CB ILE A 36 14.209 -6.630 1.454 1.00 0.00 C ATOM 602 CG1 ILE A 36 13.032 -6.143 0.600 1.00 0.00 C ATOM 603 CG2 ILE A 36 14.117 -8.151 1.632 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.185 -6.636 -0.840 1.00 0.00 C ATOM 0 H ILE A 36 15.044 -4.288 1.809 1.00 0.00 H new ATOM 0 HA ILE A 36 13.122 -5.986 3.195 1.00 0.00 H new ATOM 0 HB ILE A 36 15.153 -6.389 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.094 -6.507 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.987 -5.054 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.162 -8.635 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.948 -8.496 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.175 -8.404 2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.343 -6.284 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.114 -6.250 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.207 -7.726 -0.851 1.00 0.00 H new ATOM 616 N ASN A 37 16.331 -6.303 3.822 1.00 0.00 N ATOM 617 CA ASN A 37 17.290 -6.946 4.770 1.00 0.00 C ATOM 618 C ASN A 37 17.243 -6.257 6.142 1.00 0.00 C ATOM 619 O ASN A 37 17.636 -6.827 7.139 1.00 0.00 O ATOM 620 CB ASN A 37 18.708 -6.843 4.207 1.00 0.00 C ATOM 621 CG ASN A 37 19.631 -7.781 4.988 1.00 0.00 C ATOM 622 OD1 ASN A 37 19.170 -8.616 5.740 1.00 0.00 O ATOM 623 ND2 ASN A 37 20.923 -7.679 4.839 1.00 0.00 N ATOM 0 H ASN A 37 16.743 -5.610 3.197 1.00 0.00 H new ATOM 0 HA ASN A 37 17.008 -7.992 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.712 -7.107 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.067 -5.816 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 37 21.546 -8.301 5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 37 21.310 -6.978 4.207 1.00 0.00 H new ATOM 630 N ASN A 38 16.817 -5.015 6.198 1.00 0.00 N ATOM 631 CA ASN A 38 16.802 -4.283 7.510 1.00 0.00 C ATOM 632 C ASN A 38 15.410 -4.306 8.161 1.00 0.00 C ATOM 633 O ASN A 38 15.289 -4.523 9.349 1.00 0.00 O ATOM 634 CB ASN A 38 17.215 -2.828 7.271 1.00 0.00 C ATOM 635 CG ASN A 38 18.583 -2.791 6.588 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.959 -3.718 5.900 1.00 0.00 O ATOM 637 ND2 ASN A 38 19.351 -1.747 6.749 1.00 0.00 N ATOM 0 H ASN A 38 16.481 -4.479 5.398 1.00 0.00 H new ATOM 0 HA ASN A 38 17.499 -4.782 8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.473 -2.326 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.255 -2.290 8.218 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.265 -1.712 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.037 -0.967 7.327 1.00 0.00 H new ATOM 644 N GLU A 39 14.366 -4.071 7.409 1.00 0.00 N ATOM 645 CA GLU A 39 12.987 -4.065 8.011 1.00 0.00 C ATOM 646 C GLU A 39 12.289 -5.395 7.727 1.00 0.00 C ATOM 647 O GLU A 39 12.074 -6.197 8.615 1.00 0.00 O ATOM 648 CB GLU A 39 12.173 -2.921 7.397 1.00 0.00 C ATOM 649 CG GLU A 39 12.610 -1.591 8.016 1.00 0.00 C ATOM 650 CD GLU A 39 12.069 -1.485 9.444 1.00 0.00 C ATOM 651 OE1 GLU A 39 11.027 -2.062 9.707 1.00 0.00 O ATOM 652 OE2 GLU A 39 12.707 -0.829 10.251 1.00 0.00 O ATOM 0 H GLU A 39 14.402 -3.883 6.407 1.00 0.00 H new ATOM 0 HA GLU A 39 13.065 -3.926 9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.318 -2.896 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.109 -3.083 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.698 -1.522 8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.241 -0.760 7.414 1.00 0.00 H new ATOM 659 N LEU A 40 11.930 -5.635 6.499 1.00 0.00 N ATOM 660 CA LEU A 40 11.243 -6.914 6.163 1.00 0.00 C ATOM 661 C LEU A 40 12.264 -8.055 6.231 1.00 0.00 C ATOM 662 O LEU A 40 12.254 -8.954 5.422 1.00 0.00 O ATOM 663 CB LEU A 40 10.633 -6.839 4.746 1.00 0.00 C ATOM 664 CG LEU A 40 10.115 -5.427 4.437 1.00 0.00 C ATOM 665 CD1 LEU A 40 9.604 -5.382 2.996 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.964 -5.075 5.379 1.00 0.00 C ATOM 0 H LEU A 40 12.082 -5.003 5.713 1.00 0.00 H new ATOM 0 HA LEU A 40 10.438 -7.093 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.384 -7.123 4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.816 -7.555 4.661 1.00 0.00 H new ATOM 0 HG LEU A 40 10.927 -4.712 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.235 -4.381 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.417 -5.630 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.795 -6.103 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.603 -4.072 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.153 -5.791 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.314 -5.111 6.411 1.00 0.00 H new ATOM 678 N SER A 41 13.153 -8.034 7.189 1.00 0.00 N ATOM 679 CA SER A 41 14.164 -9.124 7.287 1.00 0.00 C ATOM 680 C SER A 41 13.601 -10.298 8.099 1.00 0.00 C ATOM 681 O SER A 41 14.066 -11.414 7.993 1.00 0.00 O ATOM 682 CB SER A 41 15.408 -8.568 7.984 1.00 0.00 C ATOM 683 OG SER A 41 16.550 -9.297 7.558 1.00 0.00 O ATOM 0 H SER A 41 13.222 -7.311 7.905 1.00 0.00 H new ATOM 0 HA SER A 41 14.417 -9.482 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.529 -7.511 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.297 -8.643 9.066 1.00 0.00 H new ATOM 0 HG SER A 41 17.255 -8.672 7.288 1.00 0.00 H new ATOM 689 N HIS A 42 12.613 -10.052 8.921 1.00 0.00 N ATOM 690 CA HIS A 42 12.035 -11.152 9.752 1.00 0.00 C ATOM 691 C HIS A 42 10.815 -11.760 9.052 1.00 0.00 C ATOM 692 O HIS A 42 10.387 -12.849 9.381 1.00 0.00 O ATOM 693 CB HIS A 42 11.616 -10.584 11.109 1.00 0.00 C ATOM 694 CG HIS A 42 12.806 -9.955 11.779 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.770 -8.664 12.289 1.00 0.00 N ATOM 696 CD2 HIS A 42 14.074 -10.422 12.030 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.982 -8.402 12.816 1.00 0.00 C ATOM 698 NE2 HIS A 42 14.809 -9.439 12.682 1.00 0.00 N ATOM 0 H HIS A 42 12.181 -9.137 9.053 1.00 0.00 H new ATOM 0 HA HIS A 42 12.785 -11.931 9.890 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.826 -9.844 10.977 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.209 -11.377 11.737 1.00 0.00 H new ATOM 0 HD2 HIS A 42 14.442 -11.401 11.762 1.00 0.00 H new ATOM 0 HE1 HIS A 42 14.250 -7.468 13.288 1.00 0.00 H new ATOM 0 HE2 HIS A 42 15.779 -9.499 12.993 1.00 0.00 H new ATOM 707 N PHE A 43 10.251 -11.068 8.091 1.00 0.00 N ATOM 708 CA PHE A 43 9.050 -11.603 7.363 1.00 0.00 C ATOM 709 C PHE A 43 9.449 -11.974 5.932 1.00 0.00 C ATOM 710 O PHE A 43 9.076 -13.016 5.429 1.00 0.00 O ATOM 711 CB PHE A 43 7.949 -10.525 7.331 1.00 0.00 C ATOM 712 CG PHE A 43 7.140 -10.573 8.615 1.00 0.00 C ATOM 713 CD1 PHE A 43 7.780 -10.415 9.848 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.754 -10.780 8.569 1.00 0.00 C ATOM 715 CE1 PHE A 43 7.039 -10.462 11.035 1.00 0.00 C ATOM 716 CE2 PHE A 43 5.014 -10.826 9.755 1.00 0.00 C ATOM 717 CZ PHE A 43 5.656 -10.667 10.989 1.00 0.00 C ATOM 0 H PHE A 43 10.570 -10.152 7.776 1.00 0.00 H new ATOM 0 HA PHE A 43 8.674 -12.488 7.876 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.397 -9.539 7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.296 -10.686 6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.848 -10.256 9.885 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.258 -10.904 7.618 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.535 -10.340 11.986 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.946 -10.984 9.719 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.084 -10.703 11.904 1.00 0.00 H new ATOM 727 N LEU A 44 10.197 -11.130 5.266 1.00 0.00 N ATOM 728 CA LEU A 44 10.613 -11.434 3.861 1.00 0.00 C ATOM 729 C LEU A 44 12.032 -12.008 3.874 1.00 0.00 C ATOM 730 O LEU A 44 12.919 -11.488 4.521 1.00 0.00 O ATOM 731 CB LEU A 44 10.581 -10.146 3.019 1.00 0.00 C ATOM 732 CG LEU A 44 9.156 -9.861 2.508 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.742 -10.896 1.438 1.00 0.00 C ATOM 734 CD2 LEU A 44 8.163 -9.889 3.689 1.00 0.00 C ATOM 0 H LEU A 44 10.538 -10.242 5.635 1.00 0.00 H new ATOM 0 HA LEU A 44 9.927 -12.160 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.932 -9.306 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.263 -10.242 2.174 1.00 0.00 H new ATOM 0 HG LEU A 44 9.141 -8.872 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.732 -10.676 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.434 -10.847 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.767 -11.896 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.156 -9.687 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.187 -10.871 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.443 -9.129 4.418 1.00 0.00 H new ATOM 746 N GLU A 45 12.253 -13.078 3.160 1.00 0.00 N ATOM 747 CA GLU A 45 13.613 -13.685 3.129 1.00 0.00 C ATOM 748 C GLU A 45 14.643 -12.612 2.770 1.00 0.00 C ATOM 749 O GLU A 45 14.443 -11.825 1.867 1.00 0.00 O ATOM 750 CB GLU A 45 13.652 -14.797 2.078 1.00 0.00 C ATOM 751 CG GLU A 45 12.635 -15.882 2.438 1.00 0.00 C ATOM 752 CD GLU A 45 12.841 -17.096 1.529 1.00 0.00 C ATOM 753 OE1 GLU A 45 13.665 -17.008 0.634 1.00 0.00 O ATOM 754 OE2 GLU A 45 12.173 -18.094 1.746 1.00 0.00 O ATOM 0 H GLU A 45 11.550 -13.558 2.597 1.00 0.00 H new ATOM 0 HA GLU A 45 13.846 -14.101 4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.428 -14.388 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.653 -15.226 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.751 -16.172 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.621 -15.497 2.325 1.00 0.00 H new ATOM 761 N GLU A 46 15.744 -12.573 3.470 1.00 0.00 N ATOM 762 CA GLU A 46 16.785 -11.550 3.165 1.00 0.00 C ATOM 763 C GLU A 46 17.351 -11.798 1.768 1.00 0.00 C ATOM 764 O GLU A 46 18.150 -12.691 1.568 1.00 0.00 O ATOM 765 CB GLU A 46 17.926 -11.653 4.180 1.00 0.00 C ATOM 766 CG GLU A 46 17.440 -11.221 5.564 1.00 0.00 C ATOM 767 CD GLU A 46 16.605 -12.339 6.189 1.00 0.00 C ATOM 768 OE1 GLU A 46 17.195 -13.257 6.735 1.00 0.00 O ATOM 769 OE2 GLU A 46 15.390 -12.261 6.107 1.00 0.00 O ATOM 0 H GLU A 46 15.968 -13.204 4.239 1.00 0.00 H new ATOM 0 HA GLU A 46 16.333 -10.559 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.296 -12.677 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.760 -11.025 3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.292 -10.989 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.845 -10.311 5.484 1.00 0.00 H new ATOM 776 N ILE A 47 16.964 -11.015 0.800 1.00 0.00 N ATOM 777 CA ILE A 47 17.515 -11.226 -0.564 1.00 0.00 C ATOM 778 C ILE A 47 18.960 -10.733 -0.596 1.00 0.00 C ATOM 779 O ILE A 47 19.292 -9.709 -0.033 1.00 0.00 O ATOM 780 CB ILE A 47 16.694 -10.459 -1.608 1.00 0.00 C ATOM 781 CG1 ILE A 47 16.563 -8.990 -1.203 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.298 -11.068 -1.726 1.00 0.00 C ATOM 783 CD1 ILE A 47 15.888 -8.223 -2.339 1.00 0.00 C ATOM 0 H ILE A 47 16.298 -10.248 0.893 1.00 0.00 H new ATOM 0 HA ILE A 47 17.471 -12.289 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 47 17.207 -10.527 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.977 -8.902 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.546 -8.567 -0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.722 -10.517 -2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.381 -12.111 -2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.794 -11.011 -0.761 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.789 -7.174 -2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.493 -8.304 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.900 -8.644 -2.525 1.00 0.00 H new ATOM 795 N LYS A 48 19.821 -11.456 -1.259 1.00 0.00 N ATOM 796 CA LYS A 48 21.256 -11.048 -1.360 1.00 0.00 C ATOM 797 C LYS A 48 21.579 -10.835 -2.835 1.00 0.00 C ATOM 798 O LYS A 48 22.613 -10.304 -3.193 1.00 0.00 O ATOM 799 CB LYS A 48 22.141 -12.158 -0.788 1.00 0.00 C ATOM 800 CG LYS A 48 21.800 -12.366 0.690 1.00 0.00 C ATOM 801 CD LYS A 48 22.704 -13.453 1.274 1.00 0.00 C ATOM 802 CE LYS A 48 22.195 -13.846 2.662 1.00 0.00 C ATOM 803 NZ LYS A 48 22.188 -12.645 3.546 1.00 0.00 N ATOM 0 H LYS A 48 19.590 -12.324 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 48 21.437 -10.132 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.987 -13.084 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.193 -11.893 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.932 -11.434 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.754 -12.653 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.714 -14.324 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.730 -13.091 1.340 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.191 -14.263 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.831 -14.621 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.109 -12.945 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.072 -12.112 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.379 -12.039 3.302 1.00 0.00 H new ATOM 817 N GLU A 49 20.681 -11.248 -3.693 1.00 0.00 N ATOM 818 CA GLU A 49 20.879 -11.090 -5.165 1.00 0.00 C ATOM 819 C GLU A 49 19.800 -10.156 -5.711 1.00 0.00 C ATOM 820 O GLU A 49 18.619 -10.428 -5.619 1.00 0.00 O ATOM 821 CB GLU A 49 20.766 -12.459 -5.844 1.00 0.00 C ATOM 822 CG GLU A 49 21.901 -13.367 -5.365 1.00 0.00 C ATOM 823 CD GLU A 49 23.244 -12.810 -5.843 1.00 0.00 C ATOM 824 OE1 GLU A 49 23.240 -12.045 -6.794 1.00 0.00 O ATOM 825 OE2 GLU A 49 24.252 -13.159 -5.250 1.00 0.00 O ATOM 0 H GLU A 49 19.803 -11.696 -3.430 1.00 0.00 H new ATOM 0 HA GLU A 49 21.865 -10.671 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.802 -12.912 -5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.812 -12.344 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.891 -13.435 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.758 -14.377 -5.749 1.00 0.00 H new ATOM 832 N GLN A 50 20.200 -9.054 -6.273 1.00 0.00 N ATOM 833 CA GLN A 50 19.215 -8.086 -6.825 1.00 0.00 C ATOM 834 C GLN A 50 18.342 -8.764 -7.886 1.00 0.00 C ATOM 835 O GLN A 50 17.271 -8.295 -8.211 1.00 0.00 O ATOM 836 CB GLN A 50 19.975 -6.904 -7.450 1.00 0.00 C ATOM 837 CG GLN A 50 20.652 -7.327 -8.763 1.00 0.00 C ATOM 838 CD GLN A 50 21.457 -8.611 -8.552 1.00 0.00 C ATOM 839 OE1 GLN A 50 22.332 -8.663 -7.710 1.00 0.00 O ATOM 840 NE2 GLN A 50 21.193 -9.659 -9.282 1.00 0.00 N ATOM 0 H GLN A 50 21.177 -8.779 -6.375 1.00 0.00 H new ATOM 0 HA GLN A 50 18.569 -7.728 -6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.286 -6.081 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 50 20.725 -6.537 -6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 50 19.899 -7.484 -9.535 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.308 -6.531 -9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 50 20.459 -9.616 -9.989 1.00 0.00 H new ATOM 0 HE22 GLN A 50 21.721 -10.521 -9.146 1.00 0.00 H new ATOM 849 N GLU A 51 18.806 -9.845 -8.454 1.00 0.00 N ATOM 850 CA GLU A 51 18.025 -10.531 -9.523 1.00 0.00 C ATOM 851 C GLU A 51 16.546 -10.597 -9.183 1.00 0.00 C ATOM 852 O GLU A 51 15.706 -10.343 -10.023 1.00 0.00 O ATOM 853 CB GLU A 51 18.569 -11.946 -9.735 1.00 0.00 C ATOM 854 CG GLU A 51 17.760 -12.648 -10.829 1.00 0.00 C ATOM 855 CD GLU A 51 18.449 -13.959 -11.214 1.00 0.00 C ATOM 856 OE1 GLU A 51 18.508 -14.842 -10.374 1.00 0.00 O ATOM 857 OE2 GLU A 51 18.905 -14.057 -12.340 1.00 0.00 O ATOM 0 H GLU A 51 19.697 -10.284 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 51 18.133 -9.951 -10.439 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.621 -11.904 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.511 -12.512 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.748 -12.847 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.672 -12.001 -11.702 1.00 0.00 H new ATOM 864 N VAL A 52 16.197 -10.915 -7.977 1.00 0.00 N ATOM 865 CA VAL A 52 14.751 -10.960 -7.643 1.00 0.00 C ATOM 866 C VAL A 52 14.270 -9.538 -7.462 1.00 0.00 C ATOM 867 O VAL A 52 13.176 -9.186 -7.857 1.00 0.00 O ATOM 868 CB VAL A 52 14.516 -11.775 -6.366 1.00 0.00 C ATOM 869 CG1 VAL A 52 14.680 -13.263 -6.677 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.526 -11.366 -5.288 1.00 0.00 C ATOM 0 H VAL A 52 16.837 -11.143 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 52 14.196 -11.445 -8.446 1.00 0.00 H new ATOM 0 HB VAL A 52 13.507 -11.583 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.513 -13.845 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.955 -13.558 -7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.688 -13.448 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.351 -11.951 -4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.538 -11.550 -5.649 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.408 -10.306 -5.063 1.00 0.00 H new ATOM 880 N VAL A 53 15.074 -8.708 -6.876 1.00 0.00 N ATOM 881 CA VAL A 53 14.648 -7.303 -6.689 1.00 0.00 C ATOM 882 C VAL A 53 14.522 -6.694 -8.082 1.00 0.00 C ATOM 883 O VAL A 53 13.784 -5.758 -8.308 1.00 0.00 O ATOM 884 CB VAL A 53 15.667 -6.557 -5.780 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.558 -5.596 -6.583 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.917 -5.749 -4.711 1.00 0.00 C ATOM 0 H VAL A 53 16.002 -8.939 -6.520 1.00 0.00 H new ATOM 0 HA VAL A 53 13.687 -7.224 -6.180 1.00 0.00 H new ATOM 0 HB VAL A 53 16.301 -7.313 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.254 -5.097 -5.909 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.117 -6.158 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.935 -4.851 -7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.635 -5.229 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.266 -5.021 -5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.316 -6.423 -4.100 1.00 0.00 H new ATOM 896 N ASP A 54 15.223 -7.256 -9.025 1.00 0.00 N ATOM 897 CA ASP A 54 15.121 -6.750 -10.415 1.00 0.00 C ATOM 898 C ASP A 54 13.811 -7.280 -10.976 1.00 0.00 C ATOM 899 O ASP A 54 13.156 -6.649 -11.783 1.00 0.00 O ATOM 900 CB ASP A 54 16.292 -7.267 -11.249 1.00 0.00 C ATOM 901 CG ASP A 54 17.561 -6.498 -10.878 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.561 -5.860 -9.838 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.512 -6.557 -11.642 1.00 0.00 O ATOM 0 H ASP A 54 15.860 -8.042 -8.891 1.00 0.00 H new ATOM 0 HA ASP A 54 15.149 -5.661 -10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.435 -8.333 -11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.078 -7.146 -12.311 1.00 0.00 H new ATOM 908 N LYS A 55 13.420 -8.445 -10.528 1.00 0.00 N ATOM 909 CA LYS A 55 12.142 -9.040 -11.001 1.00 0.00 C ATOM 910 C LYS A 55 10.979 -8.382 -10.253 1.00 0.00 C ATOM 911 O LYS A 55 10.051 -7.885 -10.859 1.00 0.00 O ATOM 912 CB LYS A 55 12.144 -10.554 -10.732 1.00 0.00 C ATOM 913 CG LYS A 55 10.908 -11.230 -11.385 1.00 0.00 C ATOM 914 CD LYS A 55 9.770 -11.401 -10.356 1.00 0.00 C ATOM 915 CE LYS A 55 9.973 -12.691 -9.557 1.00 0.00 C ATOM 916 NZ LYS A 55 8.893 -12.819 -8.539 1.00 0.00 N ATOM 0 H LYS A 55 13.935 -9.009 -9.852 1.00 0.00 H new ATOM 0 HA LYS A 55 12.031 -8.871 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.058 -10.997 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.140 -10.737 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.559 -10.627 -12.224 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.190 -12.203 -11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.748 -10.546 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.808 -11.428 -10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.961 -13.552 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.948 -12.680 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.030 -13.695 -7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.925 -12.003 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.969 -12.848 -9.015 1.00 0.00 H new ATOM 930 N VAL A 56 11.014 -8.368 -8.940 1.00 0.00 N ATOM 931 CA VAL A 56 9.899 -7.735 -8.176 1.00 0.00 C ATOM 932 C VAL A 56 9.643 -6.339 -8.748 1.00 0.00 C ATOM 933 O VAL A 56 8.515 -5.930 -8.940 1.00 0.00 O ATOM 934 CB VAL A 56 10.273 -7.670 -6.672 1.00 0.00 C ATOM 935 CG1 VAL A 56 11.093 -6.410 -6.356 1.00 0.00 C ATOM 936 CG2 VAL A 56 9.000 -7.659 -5.817 1.00 0.00 C ATOM 0 H VAL A 56 11.762 -8.765 -8.371 1.00 0.00 H new ATOM 0 HA VAL A 56 8.987 -8.324 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 56 10.875 -8.549 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.340 -6.393 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.012 -6.418 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.510 -5.524 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.271 -7.613 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.396 -6.789 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.427 -8.567 -6.006 1.00 0.00 H new ATOM 946 N MET A 57 10.688 -5.612 -9.035 1.00 0.00 N ATOM 947 CA MET A 57 10.508 -4.254 -9.609 1.00 0.00 C ATOM 948 C MET A 57 9.768 -4.385 -10.941 1.00 0.00 C ATOM 949 O MET A 57 9.021 -3.515 -11.338 1.00 0.00 O ATOM 950 CB MET A 57 11.878 -3.606 -9.840 1.00 0.00 C ATOM 951 CG MET A 57 12.518 -3.243 -8.493 1.00 0.00 C ATOM 952 SD MET A 57 11.846 -1.661 -7.909 1.00 0.00 S ATOM 953 CE MET A 57 13.414 -0.848 -7.506 1.00 0.00 C ATOM 0 H MET A 57 11.656 -5.901 -8.896 1.00 0.00 H new ATOM 0 HA MET A 57 9.935 -3.631 -8.923 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.526 -4.290 -10.388 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.768 -2.712 -10.453 1.00 0.00 H new ATOM 0 HG2 MET A 57 12.320 -4.026 -7.762 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.600 -3.173 -8.600 1.00 0.00 H new ATOM 0 HE1 MET A 57 13.223 0.183 -7.208 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.899 -1.378 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 57 14.065 -0.859 -8.380 1.00 0.00 H new ATOM 963 N GLU A 58 9.963 -5.480 -11.628 1.00 0.00 N ATOM 964 CA GLU A 58 9.264 -5.681 -12.928 1.00 0.00 C ATOM 965 C GLU A 58 7.768 -5.833 -12.666 1.00 0.00 C ATOM 966 O GLU A 58 6.941 -5.521 -13.499 1.00 0.00 O ATOM 967 CB GLU A 58 9.802 -6.948 -13.610 1.00 0.00 C ATOM 968 CG GLU A 58 9.457 -6.920 -15.102 1.00 0.00 C ATOM 969 CD GLU A 58 9.794 -8.272 -15.734 1.00 0.00 C ATOM 970 OE1 GLU A 58 10.972 -8.559 -15.882 1.00 0.00 O ATOM 971 OE2 GLU A 58 8.869 -8.997 -16.062 1.00 0.00 O ATOM 0 H GLU A 58 10.577 -6.243 -11.343 1.00 0.00 H new ATOM 0 HA GLU A 58 9.438 -4.825 -13.579 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.882 -7.012 -13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.371 -7.834 -13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.398 -6.699 -15.236 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.014 -6.126 -15.599 1.00 0.00 H new ATOM 978 N THR A 59 7.417 -6.316 -11.506 1.00 0.00 N ATOM 979 CA THR A 59 5.979 -6.500 -11.169 1.00 0.00 C ATOM 980 C THR A 59 5.442 -5.247 -10.478 1.00 0.00 C ATOM 981 O THR A 59 4.279 -4.913 -10.603 1.00 0.00 O ATOM 982 CB THR A 59 5.830 -7.698 -10.229 1.00 0.00 C ATOM 983 OG1 THR A 59 6.430 -8.841 -10.823 1.00 0.00 O ATOM 984 CG2 THR A 59 4.347 -7.967 -9.981 1.00 0.00 C ATOM 0 H THR A 59 8.070 -6.593 -10.773 1.00 0.00 H new ATOM 0 HA THR A 59 5.415 -6.675 -12.085 1.00 0.00 H new ATOM 0 HB THR A 59 6.322 -7.483 -9.280 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.337 -9.609 -10.221 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.239 -8.820 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.889 -7.089 -9.526 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.853 -8.184 -10.928 1.00 0.00 H new ATOM 992 N LEU A 60 6.269 -4.556 -9.730 1.00 0.00 N ATOM 993 CA LEU A 60 5.785 -3.331 -9.009 1.00 0.00 C ATOM 994 C LEU A 60 6.124 -2.061 -9.795 1.00 0.00 C ATOM 995 O LEU A 60 5.288 -1.193 -9.946 1.00 0.00 O ATOM 996 CB LEU A 60 6.432 -3.268 -7.618 1.00 0.00 C ATOM 997 CG LEU A 60 5.631 -4.118 -6.620 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.226 -3.507 -6.377 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.496 -5.548 -7.164 1.00 0.00 C ATOM 0 H LEU A 60 7.253 -4.784 -9.587 1.00 0.00 H new ATOM 0 HA LEU A 60 4.701 -3.392 -8.911 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.460 -3.628 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.473 -2.234 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 60 6.162 -4.136 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.678 -4.126 -5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.332 -2.500 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.680 -3.465 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.928 -6.154 -6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.977 -5.525 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.487 -5.981 -7.298 1.00 0.00 H new ATOM 1011 N ASP A 61 7.315 -1.921 -10.307 1.00 0.00 N ATOM 1012 CA ASP A 61 7.643 -0.685 -11.078 1.00 0.00 C ATOM 1013 C ASP A 61 6.627 -0.506 -12.193 1.00 0.00 C ATOM 1014 O ASP A 61 6.602 -1.242 -13.160 1.00 0.00 O ATOM 1015 CB ASP A 61 9.044 -0.834 -11.664 1.00 0.00 C ATOM 1016 CG ASP A 61 9.577 0.532 -12.090 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.867 1.508 -11.921 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.690 0.575 -12.581 1.00 0.00 O ATOM 0 H ASP A 61 8.071 -2.601 -10.227 1.00 0.00 H new ATOM 0 HA ASP A 61 7.611 0.189 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.711 -1.280 -10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.020 -1.508 -12.520 1.00 0.00 H new ATOM 1023 N GLU A 62 5.783 0.476 -12.055 1.00 0.00 N ATOM 1024 CA GLU A 62 4.749 0.730 -13.096 1.00 0.00 C ATOM 1025 C GLU A 62 5.323 1.704 -14.110 1.00 0.00 C ATOM 1026 O GLU A 62 5.086 1.600 -15.297 1.00 0.00 O ATOM 1027 CB GLU A 62 3.492 1.322 -12.441 1.00 0.00 C ATOM 1028 CG GLU A 62 2.284 1.142 -13.368 1.00 0.00 C ATOM 1029 CD GLU A 62 2.478 1.981 -14.632 1.00 0.00 C ATOM 1030 OE1 GLU A 62 2.770 3.157 -14.499 1.00 0.00 O ATOM 1031 OE2 GLU A 62 2.328 1.432 -15.712 1.00 0.00 O ATOM 0 H GLU A 62 5.764 1.117 -11.262 1.00 0.00 H new ATOM 0 HA GLU A 62 4.473 -0.200 -13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.304 0.832 -11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.645 2.381 -12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.168 0.091 -13.631 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.371 1.444 -12.855 1.00 0.00 H new ATOM 1038 N ASP A 63 6.105 2.633 -13.652 1.00 0.00 N ATOM 1039 CA ASP A 63 6.727 3.594 -14.585 1.00 0.00 C ATOM 1040 C ASP A 63 7.976 2.930 -15.154 1.00 0.00 C ATOM 1041 O ASP A 63 8.646 3.473 -16.010 1.00 0.00 O ATOM 1042 CB ASP A 63 7.109 4.871 -13.828 1.00 0.00 C ATOM 1043 CG ASP A 63 6.001 5.223 -12.833 1.00 0.00 C ATOM 1044 OD1 ASP A 63 6.055 4.730 -11.720 1.00 0.00 O ATOM 1045 OD2 ASP A 63 5.116 5.977 -13.204 1.00 0.00 O ATOM 0 H ASP A 63 6.339 2.766 -12.668 1.00 0.00 H new ATOM 0 HA ASP A 63 6.038 3.863 -15.386 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.053 4.727 -13.302 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.257 5.692 -14.529 1.00 0.00 H new ATOM 1050 N GLY A 64 8.304 1.751 -14.675 1.00 0.00 N ATOM 1051 CA GLY A 64 9.520 1.071 -15.192 1.00 0.00 C ATOM 1052 C GLY A 64 10.695 2.017 -14.993 1.00 0.00 C ATOM 1053 O GLY A 64 11.508 2.211 -15.875 1.00 0.00 O ATOM 0 H GLY A 64 7.786 1.242 -13.959 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.689 0.134 -14.662 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.401 0.824 -16.247 1.00 0.00 H new ATOM 1057 N ASP A 65 10.771 2.629 -13.838 1.00 0.00 N ATOM 1058 CA ASP A 65 11.883 3.601 -13.570 1.00 0.00 C ATOM 1059 C ASP A 65 12.954 2.953 -12.695 1.00 0.00 C ATOM 1060 O ASP A 65 13.982 3.540 -12.426 1.00 0.00 O ATOM 1061 CB ASP A 65 11.316 4.829 -12.853 1.00 0.00 C ATOM 1062 CG ASP A 65 10.439 4.381 -11.685 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.601 3.255 -11.244 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.618 5.173 -11.250 1.00 0.00 O ATOM 0 H ASP A 65 10.114 2.500 -13.068 1.00 0.00 H new ATOM 0 HA ASP A 65 12.333 3.897 -14.517 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.129 5.458 -12.490 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.732 5.432 -13.549 1.00 0.00 H new ATOM 1069 N GLY A 66 12.725 1.755 -12.239 1.00 0.00 N ATOM 1070 CA GLY A 66 13.742 1.094 -11.372 1.00 0.00 C ATOM 1071 C GLY A 66 13.613 1.663 -9.965 1.00 0.00 C ATOM 1072 O GLY A 66 14.400 1.379 -9.083 1.00 0.00 O ATOM 0 H GLY A 66 11.885 1.207 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.588 0.015 -11.361 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.745 1.269 -11.762 1.00 0.00 H new ATOM 1076 N GLU A 67 12.604 2.463 -9.757 1.00 0.00 N ATOM 1077 CA GLU A 67 12.359 3.074 -8.421 1.00 0.00 C ATOM 1078 C GLU A 67 10.886 2.874 -8.084 1.00 0.00 C ATOM 1079 O GLU A 67 10.061 2.751 -8.969 1.00 0.00 O ATOM 1080 CB GLU A 67 12.679 4.568 -8.472 1.00 0.00 C ATOM 1081 CG GLU A 67 14.081 4.775 -9.051 1.00 0.00 C ATOM 1082 CD GLU A 67 14.491 6.239 -8.879 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.991 7.066 -9.624 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.299 6.508 -8.006 1.00 0.00 O ATOM 0 H GLU A 67 11.925 2.724 -10.472 1.00 0.00 H new ATOM 0 HA GLU A 67 12.991 2.609 -7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.942 5.087 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.621 4.997 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.795 4.124 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.094 4.504 -10.107 1.00 0.00 H new ATOM 1091 N CYS A 68 10.541 2.821 -6.823 1.00 0.00 N ATOM 1092 CA CYS A 68 9.112 2.602 -6.435 1.00 0.00 C ATOM 1093 C CYS A 68 8.552 3.838 -5.737 1.00 0.00 C ATOM 1094 O CYS A 68 8.770 4.048 -4.558 1.00 0.00 O ATOM 1095 CB CYS A 68 9.029 1.417 -5.473 1.00 0.00 C ATOM 1096 SG CYS A 68 9.843 -0.021 -6.213 1.00 0.00 S ATOM 0 H CYS A 68 11.189 2.920 -6.041 1.00 0.00 H new ATOM 0 HA CYS A 68 8.531 2.405 -7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.505 1.670 -4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 68 7.987 1.185 -5.254 1.00 0.00 H new ATOM 0 HG CYS A 68 10.911 0.363 -6.847 1.00 0.00 H new ATOM 1102 N ASP A 69 7.835 4.663 -6.455 1.00 0.00 N ATOM 1103 CA ASP A 69 7.252 5.876 -5.822 1.00 0.00 C ATOM 1104 C ASP A 69 6.434 5.439 -4.605 1.00 0.00 C ATOM 1105 O ASP A 69 6.476 4.299 -4.203 1.00 0.00 O ATOM 1106 CB ASP A 69 6.344 6.595 -6.820 1.00 0.00 C ATOM 1107 CG ASP A 69 7.140 6.944 -8.078 1.00 0.00 C ATOM 1108 OD1 ASP A 69 7.952 6.131 -8.485 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.922 8.018 -8.613 1.00 0.00 O ATOM 0 H ASP A 69 7.630 4.548 -7.448 1.00 0.00 H new ATOM 0 HA ASP A 69 8.047 6.557 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.496 5.961 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.939 7.502 -6.371 1.00 0.00 H new ATOM 1114 N PHE A 70 5.690 6.327 -4.015 1.00 0.00 N ATOM 1115 CA PHE A 70 4.882 5.950 -2.816 1.00 0.00 C ATOM 1116 C PHE A 70 3.641 5.144 -3.219 1.00 0.00 C ATOM 1117 O PHE A 70 3.146 4.327 -2.468 1.00 0.00 O ATOM 1118 CB PHE A 70 4.430 7.235 -2.106 1.00 0.00 C ATOM 1119 CG PHE A 70 4.212 8.337 -3.126 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.055 8.351 -3.912 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.171 9.347 -3.280 1.00 0.00 C ATOM 1122 CE1 PHE A 70 2.854 9.372 -4.850 1.00 0.00 C ATOM 1123 CE2 PHE A 70 4.971 10.368 -4.217 1.00 0.00 C ATOM 1124 CZ PHE A 70 3.814 10.379 -5.002 1.00 0.00 C ATOM 0 H PHE A 70 5.603 7.300 -4.308 1.00 0.00 H new ATOM 0 HA PHE A 70 5.496 5.335 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.509 7.051 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.182 7.543 -1.379 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.315 7.573 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.066 9.338 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.959 9.382 -5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.710 11.147 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.661 11.165 -5.726 1.00 0.00 H new ATOM 1134 N GLN A 71 3.111 5.405 -4.371 1.00 0.00 N ATOM 1135 CA GLN A 71 1.876 4.711 -4.805 1.00 0.00 C ATOM 1136 C GLN A 71 2.133 3.221 -5.035 1.00 0.00 C ATOM 1137 O GLN A 71 1.372 2.376 -4.596 1.00 0.00 O ATOM 1138 CB GLN A 71 1.369 5.369 -6.091 1.00 0.00 C ATOM 1139 CG GLN A 71 0.030 4.759 -6.473 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.615 5.585 -7.589 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -1.293 6.557 -7.328 1.00 0.00 O ATOM 1142 NE2 GLN A 71 -0.431 5.232 -8.832 1.00 0.00 N ATOM 0 H GLN A 71 3.484 6.078 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 71 1.123 4.796 -4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.264 6.444 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.090 5.225 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.170 3.730 -6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.627 4.728 -5.604 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.139 4.415 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.857 5.773 -9.584 1.00 0.00 H new ATOM 1151 N GLU A 72 3.205 2.870 -5.688 1.00 0.00 N ATOM 1152 CA GLU A 72 3.486 1.424 -5.913 1.00 0.00 C ATOM 1153 C GLU A 72 4.322 0.881 -4.753 1.00 0.00 C ATOM 1154 O GLU A 72 4.212 -0.271 -4.387 1.00 0.00 O ATOM 1155 CB GLU A 72 4.212 1.245 -7.255 1.00 0.00 C ATOM 1156 CG GLU A 72 5.685 1.703 -7.161 1.00 0.00 C ATOM 1157 CD GLU A 72 6.133 2.303 -8.501 1.00 0.00 C ATOM 1158 OE1 GLU A 72 6.001 1.623 -9.505 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.598 3.431 -8.496 1.00 0.00 O ATOM 0 H GLU A 72 3.894 3.516 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 72 2.552 0.863 -5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.173 0.198 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.699 1.818 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.795 2.442 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.322 0.858 -6.900 1.00 0.00 H new ATOM 1166 N PHE A 73 5.160 1.687 -4.161 1.00 0.00 N ATOM 1167 CA PHE A 73 5.978 1.167 -3.030 1.00 0.00 C ATOM 1168 C PHE A 73 5.048 0.559 -1.988 1.00 0.00 C ATOM 1169 O PHE A 73 5.311 -0.493 -1.451 1.00 0.00 O ATOM 1170 CB PHE A 73 6.806 2.295 -2.404 1.00 0.00 C ATOM 1171 CG PHE A 73 7.439 1.854 -1.093 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.057 0.595 -0.972 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.427 2.727 0.006 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.653 0.222 0.238 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.029 2.349 1.212 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.640 1.099 1.326 1.00 0.00 C ATOM 0 H PHE A 73 5.312 2.665 -4.406 1.00 0.00 H new ATOM 0 HA PHE A 73 6.665 0.406 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.585 2.606 -3.100 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.169 3.162 -2.229 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.071 -0.083 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.952 3.693 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.124 -0.745 0.331 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.021 3.025 2.055 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.104 0.809 2.257 1.00 0.00 H new ATOM 1186 N MET A 74 3.945 1.182 -1.709 1.00 0.00 N ATOM 1187 CA MET A 74 3.028 0.563 -0.727 1.00 0.00 C ATOM 1188 C MET A 74 2.519 -0.712 -1.381 1.00 0.00 C ATOM 1189 O MET A 74 2.418 -1.755 -0.765 1.00 0.00 O ATOM 1190 CB MET A 74 1.866 1.528 -0.404 1.00 0.00 C ATOM 1191 CG MET A 74 1.472 1.428 1.082 1.00 0.00 C ATOM 1192 SD MET A 74 -0.271 1.901 1.281 1.00 0.00 S ATOM 1193 CE MET A 74 -0.158 2.789 2.860 1.00 0.00 C ATOM 0 H MET A 74 3.644 2.071 -2.107 1.00 0.00 H new ATOM 0 HA MET A 74 3.527 0.344 0.217 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.160 2.551 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.006 1.292 -1.030 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.627 0.411 1.443 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.107 2.079 1.682 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.896 3.591 2.880 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.350 2.098 3.681 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.841 3.212 2.969 1.00 0.00 H new ATOM 1203 N ALA A 75 2.199 -0.624 -2.641 1.00 0.00 N ATOM 1204 CA ALA A 75 1.696 -1.837 -3.354 1.00 0.00 C ATOM 1205 C ALA A 75 2.680 -2.995 -3.148 1.00 0.00 C ATOM 1206 O ALA A 75 2.318 -4.148 -3.263 1.00 0.00 O ATOM 1207 CB ALA A 75 1.538 -1.537 -4.843 1.00 0.00 C ATOM 0 H ALA A 75 2.262 0.223 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 75 0.724 -2.118 -2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.171 -2.426 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.827 -0.721 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.503 -1.249 -5.261 1.00 0.00 H new ATOM 1213 N PHE A 76 3.912 -2.704 -2.824 1.00 0.00 N ATOM 1214 CA PHE A 76 4.882 -3.818 -2.593 1.00 0.00 C ATOM 1215 C PHE A 76 4.537 -4.469 -1.258 1.00 0.00 C ATOM 1216 O PHE A 76 4.322 -5.661 -1.185 1.00 0.00 O ATOM 1217 CB PHE A 76 6.328 -3.291 -2.591 1.00 0.00 C ATOM 1218 CG PHE A 76 7.277 -4.312 -1.981 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.291 -5.638 -2.443 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.153 -3.924 -0.956 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.176 -6.567 -1.877 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.036 -4.853 -0.395 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.048 -6.173 -0.854 1.00 0.00 C ATOM 0 H PHE A 76 4.285 -1.762 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 76 4.810 -4.552 -3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.638 -3.064 -3.611 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.379 -2.359 -2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.621 -5.942 -3.233 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.146 -2.905 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.185 -7.588 -2.230 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.709 -4.550 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.730 -6.889 -0.420 1.00 0.00 H new ATOM 1233 N VAL A 77 4.446 -3.699 -0.209 1.00 0.00 N ATOM 1234 CA VAL A 77 4.078 -4.298 1.104 1.00 0.00 C ATOM 1235 C VAL A 77 2.775 -5.081 0.926 1.00 0.00 C ATOM 1236 O VAL A 77 2.544 -6.089 1.561 1.00 0.00 O ATOM 1237 CB VAL A 77 3.850 -3.193 2.139 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.661 -3.821 3.518 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.053 -2.255 2.181 1.00 0.00 C ATOM 0 H VAL A 77 4.609 -2.692 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 77 4.881 -4.951 1.447 1.00 0.00 H new ATOM 0 HB VAL A 77 2.961 -2.627 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.499 -3.036 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.798 -4.486 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.552 -4.390 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.879 -1.473 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.945 -2.819 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.195 -1.801 1.200 1.00 0.00 H new ATOM 1249 N SER A 78 1.926 -4.612 0.065 1.00 0.00 N ATOM 1250 CA SER A 78 0.634 -5.302 -0.173 1.00 0.00 C ATOM 1251 C SER A 78 0.907 -6.655 -0.821 1.00 0.00 C ATOM 1252 O SER A 78 0.197 -7.615 -0.617 1.00 0.00 O ATOM 1253 CB SER A 78 -0.226 -4.453 -1.111 1.00 0.00 C ATOM 1254 OG SER A 78 -1.594 -4.753 -0.881 1.00 0.00 O ATOM 0 H SER A 78 2.073 -3.770 -0.491 1.00 0.00 H new ATOM 0 HA SER A 78 0.109 -5.445 0.772 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.039 -3.393 -0.938 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.035 -4.657 -2.149 1.00 0.00 H new ATOM 0 HG SER A 78 -2.146 -4.293 -1.548 1.00 0.00 H new ATOM 1260 N MET A 79 1.936 -6.729 -1.602 1.00 0.00 N ATOM 1261 CA MET A 79 2.273 -8.007 -2.280 1.00 0.00 C ATOM 1262 C MET A 79 2.848 -8.992 -1.270 1.00 0.00 C ATOM 1263 O MET A 79 2.653 -10.188 -1.375 1.00 0.00 O ATOM 1264 CB MET A 79 3.313 -7.742 -3.372 1.00 0.00 C ATOM 1265 CG MET A 79 3.506 -8.995 -4.248 1.00 0.00 C ATOM 1266 SD MET A 79 5.231 -9.078 -4.806 1.00 0.00 S ATOM 1267 CE MET A 79 4.917 -9.474 -6.543 1.00 0.00 C ATOM 0 H MET A 79 2.567 -5.954 -1.804 1.00 0.00 H new ATOM 0 HA MET A 79 1.370 -8.428 -2.722 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.994 -6.904 -3.991 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.262 -7.459 -2.917 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.251 -9.891 -3.682 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.835 -8.959 -5.107 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.863 -9.517 -7.083 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.416 -10.440 -6.611 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.283 -8.704 -6.983 1.00 0.00 H new ATOM 1277 N VAL A 80 3.540 -8.507 -0.279 1.00 0.00 N ATOM 1278 CA VAL A 80 4.102 -9.421 0.742 1.00 0.00 C ATOM 1279 C VAL A 80 3.017 -9.620 1.780 1.00 0.00 C ATOM 1280 O VAL A 80 2.881 -10.678 2.362 1.00 0.00 O ATOM 1281 CB VAL A 80 5.390 -8.830 1.372 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.082 -7.905 0.372 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.082 -8.028 2.649 1.00 0.00 C ATOM 0 H VAL A 80 3.739 -7.517 -0.135 1.00 0.00 H new ATOM 0 HA VAL A 80 4.394 -10.374 0.300 1.00 0.00 H new ATOM 0 HB VAL A 80 6.039 -9.667 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.986 -7.494 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.346 -8.469 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.408 -7.092 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.009 -7.630 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.409 -7.205 2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.609 -8.680 3.383 1.00 0.00 H new ATOM 1293 N THR A 81 2.217 -8.611 2.000 1.00 0.00 N ATOM 1294 CA THR A 81 1.127 -8.772 2.983 1.00 0.00 C ATOM 1295 C THR A 81 0.136 -9.755 2.393 1.00 0.00 C ATOM 1296 O THR A 81 -0.457 -10.552 3.092 1.00 0.00 O ATOM 1297 CB THR A 81 0.428 -7.433 3.235 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.389 -6.460 3.614 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.615 -7.588 4.348 1.00 0.00 C ATOM 0 H THR A 81 2.275 -7.699 1.546 1.00 0.00 H new ATOM 0 HA THR A 81 1.524 -9.129 3.933 1.00 0.00 H new ATOM 0 HB THR A 81 -0.072 -7.113 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.208 -6.908 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.107 -6.631 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.357 -8.329 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.123 -7.914 5.265 1.00 0.00 H new ATOM 1307 N THR A 82 -0.064 -9.699 1.102 1.00 0.00 N ATOM 1308 CA THR A 82 -1.032 -10.623 0.465 1.00 0.00 C ATOM 1309 C THR A 82 -0.565 -12.067 0.621 1.00 0.00 C ATOM 1310 O THR A 82 -1.356 -12.949 0.891 1.00 0.00 O ATOM 1311 CB THR A 82 -1.146 -10.262 -1.013 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.154 -10.051 -1.547 1.00 0.00 O ATOM 1313 CG2 THR A 82 -1.982 -8.979 -1.164 1.00 0.00 C ATOM 0 H THR A 82 0.403 -9.052 0.467 1.00 0.00 H new ATOM 0 HA THR A 82 -2.006 -10.528 0.946 1.00 0.00 H new ATOM 0 HB THR A 82 -1.632 -11.075 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.817 -10.498 -0.980 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.064 -8.720 -2.220 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.978 -9.143 -0.752 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.497 -8.164 -0.627 1.00 0.00 H new ATOM 1321 N ALA A 83 0.709 -12.333 0.480 1.00 0.00 N ATOM 1322 CA ALA A 83 1.179 -13.730 0.653 1.00 0.00 C ATOM 1323 C ALA A 83 0.856 -14.160 2.081 1.00 0.00 C ATOM 1324 O ALA A 83 0.545 -15.302 2.347 1.00 0.00 O ATOM 1325 CB ALA A 83 2.692 -13.797 0.422 1.00 0.00 C ATOM 0 H ALA A 83 1.432 -11.649 0.255 1.00 0.00 H new ATOM 0 HA ALA A 83 0.687 -14.389 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.034 -14.824 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.921 -13.461 -0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.199 -13.154 1.141 1.00 0.00 H new ATOM 1331 N CYS A 84 0.918 -13.239 3.003 1.00 0.00 N ATOM 1332 CA CYS A 84 0.600 -13.586 4.415 1.00 0.00 C ATOM 1333 C CYS A 84 -0.900 -13.853 4.530 1.00 0.00 C ATOM 1334 O CYS A 84 -1.362 -14.477 5.464 1.00 0.00 O ATOM 1335 CB CYS A 84 0.990 -12.424 5.330 1.00 0.00 C ATOM 1336 SG CYS A 84 2.648 -11.843 4.894 1.00 0.00 S ATOM 0 H CYS A 84 1.174 -12.265 2.840 1.00 0.00 H new ATOM 0 HA CYS A 84 1.157 -14.474 4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.270 -11.611 5.230 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.967 -12.744 6.372 1.00 0.00 H new ATOM 0 HG CYS A 84 2.589 -11.142 3.801 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.667 -13.387 3.577 1.00 0.00 N ATOM 1343 CA HIS A 85 -3.144 -13.611 3.616 1.00 0.00 C ATOM 1344 C HIS A 85 -3.485 -14.883 2.834 1.00 0.00 C ATOM 1345 O HIS A 85 -4.398 -15.604 3.185 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.857 -12.401 2.980 1.00 0.00 C ATOM 1347 CG HIS A 85 -5.198 -12.814 2.414 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.430 -12.892 1.049 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.366 -13.210 3.016 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.695 -13.323 0.877 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.310 -13.529 2.043 1.00 0.00 N ATOM 0 H HIS A 85 -1.332 -12.859 2.771 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.474 -13.724 4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.996 -11.619 3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.236 -11.980 2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.528 -13.266 4.082 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.155 -13.482 -0.087 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -8.267 -13.851 2.190 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.780 -15.161 1.772 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.114 -16.385 0.988 1.00 0.00 C ATOM 1361 C GLU A 86 -2.620 -17.622 1.744 1.00 0.00 C ATOM 1362 O GLU A 86 -3.264 -18.652 1.758 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.474 -16.305 -0.410 1.00 0.00 C ATOM 1364 CG GLU A 86 -0.999 -16.727 -0.357 1.00 0.00 C ATOM 1365 CD GLU A 86 -0.276 -16.243 -1.617 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -0.615 -15.175 -2.099 1.00 0.00 O ATOM 1367 OE2 GLU A 86 0.603 -16.951 -2.080 1.00 0.00 O ATOM 0 H GLU A 86 -2.001 -14.606 1.417 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.194 -16.458 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.017 -16.949 -1.101 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -2.553 -15.288 -0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.523 -16.309 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.924 -17.812 -0.277 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.485 -17.523 2.374 1.00 0.00 N ATOM 1375 CA PHE A 87 -0.947 -18.684 3.134 1.00 0.00 C ATOM 1376 C PHE A 87 -1.972 -19.115 4.185 1.00 0.00 C ATOM 1377 O PHE A 87 -2.414 -20.247 4.209 1.00 0.00 O ATOM 1378 CB PHE A 87 0.356 -18.272 3.824 1.00 0.00 C ATOM 1379 CG PHE A 87 0.905 -19.430 4.626 1.00 0.00 C ATOM 1380 CD1 PHE A 87 1.597 -20.463 3.981 1.00 0.00 C ATOM 1381 CD2 PHE A 87 0.730 -19.465 6.015 1.00 0.00 C ATOM 1382 CE1 PHE A 87 2.111 -21.531 4.725 1.00 0.00 C ATOM 1383 CE2 PHE A 87 1.246 -20.532 6.759 1.00 0.00 C ATOM 1384 CZ PHE A 87 1.937 -21.565 6.114 1.00 0.00 C ATOM 0 H PHE A 87 -0.904 -16.685 2.396 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.752 -19.515 2.456 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.087 -17.955 3.080 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.177 -17.419 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.734 -20.435 2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.197 -18.668 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.642 -22.329 4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.111 -20.559 7.830 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.336 -22.388 6.688 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.357 -18.218 5.052 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.357 -18.576 6.098 1.00 0.00 C ATOM 1396 C PHE A 88 -4.706 -18.869 5.439 1.00 0.00 C ATOM 1397 O PHE A 88 -5.458 -19.708 5.894 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.508 -17.408 7.077 1.00 0.00 C ATOM 1399 CG PHE A 88 -4.601 -17.717 8.074 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -5.938 -17.468 7.745 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -4.276 -18.250 9.328 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -6.951 -17.751 8.669 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.289 -18.534 10.252 1.00 0.00 C ATOM 1404 CZ PHE A 88 -6.627 -18.285 9.923 1.00 0.00 C ATOM 0 H PHE A 88 -2.023 -17.255 5.081 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.019 -19.461 6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.566 -17.233 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.746 -16.494 6.533 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.189 -17.057 6.778 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.244 -18.442 9.582 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.983 -17.558 8.415 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.038 -18.945 11.219 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.409 -18.504 10.635 1.00 0.00 H new ATOM 1494 N GLU B 2 7.472 -1.734 12.696 1.00 0.00 N ATOM 1495 CA GLU B 2 6.425 -0.785 12.237 1.00 0.00 C ATOM 1496 C GLU B 2 5.760 -1.342 10.980 1.00 0.00 C ATOM 1497 O GLU B 2 4.616 -1.064 10.694 1.00 0.00 O ATOM 1498 CB GLU B 2 7.061 0.573 11.930 1.00 0.00 C ATOM 1499 CG GLU B 2 7.487 1.237 13.241 1.00 0.00 C ATOM 1500 CD GLU B 2 8.021 2.642 12.955 1.00 0.00 C ATOM 1501 OE1 GLU B 2 9.050 2.741 12.308 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.392 3.594 13.389 1.00 0.00 O ATOM 0 HA GLU B 2 5.676 -0.658 13.019 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.924 0.444 11.276 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.352 1.209 11.400 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.640 1.291 13.925 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.255 0.638 13.731 1.00 0.00 H new ATOM 1509 N LEU B 3 6.463 -2.137 10.223 1.00 0.00 N ATOM 1510 CA LEU B 3 5.853 -2.704 8.987 1.00 0.00 C ATOM 1511 C LEU B 3 4.940 -3.882 9.365 1.00 0.00 C ATOM 1512 O LEU B 3 3.985 -4.175 8.677 1.00 0.00 O ATOM 1513 CB LEU B 3 6.975 -3.173 8.027 1.00 0.00 C ATOM 1514 CG LEU B 3 7.240 -2.137 6.908 1.00 0.00 C ATOM 1515 CD1 LEU B 3 6.181 -2.276 5.808 1.00 0.00 C ATOM 1516 CD2 LEU B 3 7.230 -0.697 7.467 1.00 0.00 C ATOM 0 H LEU B 3 7.427 -2.418 10.404 1.00 0.00 H new ATOM 0 HA LEU B 3 5.257 -1.943 8.484 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.892 -3.340 8.593 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.697 -4.128 7.581 1.00 0.00 H new ATOM 0 HG LEU B 3 8.228 -2.333 6.490 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.373 -1.544 5.023 1.00 0.00 H new ATOM 0 HD12 LEU B 3 6.224 -3.280 5.386 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.192 -2.103 6.231 1.00 0.00 H new ATOM 0 HD21 LEU B 3 7.419 0.009 6.658 1.00 0.00 H new ATOM 0 HD22 LEU B 3 6.258 -0.486 7.913 1.00 0.00 H new ATOM 0 HD23 LEU B 3 8.006 -0.596 8.225 1.00 0.00 H new ATOM 1528 N GLU B 4 5.211 -4.548 10.452 1.00 0.00 N ATOM 1529 CA GLU B 4 4.340 -5.689 10.852 1.00 0.00 C ATOM 1530 C GLU B 4 3.032 -5.139 11.417 1.00 0.00 C ATOM 1531 O GLU B 4 1.992 -5.758 11.318 1.00 0.00 O ATOM 1532 CB GLU B 4 5.048 -6.538 11.917 1.00 0.00 C ATOM 1533 CG GLU B 4 4.064 -7.564 12.523 1.00 0.00 C ATOM 1534 CD GLU B 4 3.341 -6.953 13.732 1.00 0.00 C ATOM 1535 OE1 GLU B 4 3.898 -7.002 14.816 1.00 0.00 O ATOM 1536 OE2 GLU B 4 2.246 -6.449 13.552 1.00 0.00 O ATOM 0 H GLU B 4 5.993 -4.354 11.078 1.00 0.00 H new ATOM 0 HA GLU B 4 4.133 -6.314 9.984 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.898 -7.057 11.473 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.443 -5.894 12.703 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.337 -7.870 11.771 1.00 0.00 H new ATOM 0 HG3 GLU B 4 4.604 -8.461 12.827 1.00 0.00 H new ATOM 1543 N LYS B 5 3.076 -3.975 11.999 1.00 0.00 N ATOM 1544 CA LYS B 5 1.837 -3.376 12.560 1.00 0.00 C ATOM 1545 C LYS B 5 0.915 -2.983 11.406 1.00 0.00 C ATOM 1546 O LYS B 5 -0.272 -3.249 11.424 1.00 0.00 O ATOM 1547 CB LYS B 5 2.213 -2.130 13.382 1.00 0.00 C ATOM 1548 CG LYS B 5 2.634 -2.544 14.806 1.00 0.00 C ATOM 1549 CD LYS B 5 3.514 -1.443 15.461 1.00 0.00 C ATOM 1550 CE LYS B 5 5.000 -1.847 15.438 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.291 -2.726 16.607 1.00 0.00 N ATOM 0 H LYS B 5 3.919 -3.412 12.110 1.00 0.00 H new ATOM 0 HA LYS B 5 1.326 -4.091 13.205 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.028 -1.595 12.894 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.366 -1.446 13.429 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.748 -2.719 15.416 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.186 -3.483 14.769 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.380 -0.500 14.930 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.193 -1.278 16.490 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.232 -2.369 14.510 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.631 -0.959 15.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.294 -3.000 16.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.084 -2.213 17.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.698 -3.579 16.556 1.00 0.00 H new ATOM 1565 N ALA B 6 1.452 -2.343 10.408 1.00 0.00 N ATOM 1566 CA ALA B 6 0.618 -1.917 9.254 1.00 0.00 C ATOM 1567 C ALA B 6 0.040 -3.133 8.535 1.00 0.00 C ATOM 1568 O ALA B 6 -1.153 -3.231 8.322 1.00 0.00 O ATOM 1569 CB ALA B 6 1.477 -1.115 8.275 1.00 0.00 C ATOM 0 H ALA B 6 2.439 -2.095 10.342 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.202 -1.301 9.623 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.867 -0.802 7.428 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.878 -0.235 8.779 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.300 -1.736 7.920 1.00 0.00 H new ATOM 1575 N MET B 7 0.873 -4.048 8.140 1.00 0.00 N ATOM 1576 CA MET B 7 0.371 -5.246 7.413 1.00 0.00 C ATOM 1577 C MET B 7 -0.744 -5.921 8.213 1.00 0.00 C ATOM 1578 O MET B 7 -1.703 -6.412 7.656 1.00 0.00 O ATOM 1579 CB MET B 7 1.518 -6.249 7.199 1.00 0.00 C ATOM 1580 CG MET B 7 2.527 -5.702 6.177 1.00 0.00 C ATOM 1581 SD MET B 7 3.359 -7.088 5.351 1.00 0.00 S ATOM 1582 CE MET B 7 5.028 -6.827 6.011 1.00 0.00 C ATOM 0 H MET B 7 1.882 -4.020 8.288 1.00 0.00 H new ATOM 0 HA MET B 7 -0.021 -4.927 6.447 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.020 -6.444 8.147 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.117 -7.200 6.850 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.016 -5.080 5.442 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.260 -5.069 6.676 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.699 -7.590 5.616 1.00 0.00 H new ATOM 0 HE2 MET B 7 5.386 -5.841 5.716 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.004 -6.894 7.099 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.631 -5.958 9.509 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.700 -6.615 10.317 1.00 0.00 C ATOM 1594 C VAL B 8 -2.915 -5.688 10.381 1.00 0.00 C ATOM 1595 O VAL B 8 -4.047 -6.118 10.270 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.162 -6.897 11.736 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.316 -7.073 12.733 1.00 0.00 C ATOM 1598 CG2 VAL B 8 -0.317 -8.176 11.718 1.00 0.00 C ATOM 0 H VAL B 8 0.146 -5.567 10.042 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.996 -7.559 9.858 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.554 -6.048 12.048 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.912 -7.271 13.726 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.916 -6.163 12.760 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.941 -7.910 12.422 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.063 -8.375 12.720 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.932 -9.014 11.390 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.520 -8.050 11.031 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.683 -4.428 10.566 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.814 -3.472 10.650 1.00 0.00 C ATOM 1610 C ALA B 9 -4.633 -3.508 9.352 1.00 0.00 C ATOM 1611 O ALA B 9 -5.841 -3.363 9.371 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.263 -2.060 10.878 1.00 0.00 C ATOM 0 H ALA B 9 -1.756 -4.014 10.663 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.463 -3.751 11.480 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.090 -1.353 10.941 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.695 -2.037 11.808 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.612 -1.785 10.048 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.997 -3.681 8.219 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.772 -3.694 6.941 1.00 0.00 C ATOM 1620 C LEU B 10 -5.435 -5.059 6.716 1.00 0.00 C ATOM 1621 O LEU B 10 -6.597 -5.132 6.412 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.832 -3.363 5.761 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.820 -1.850 5.491 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.147 -1.126 6.659 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -3.047 -1.571 4.199 1.00 0.00 C ATOM 0 H LEU B 10 -2.990 -3.812 8.124 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.557 -2.941 7.004 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.822 -3.706 5.985 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.159 -3.895 4.868 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.844 -1.490 5.387 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.139 -0.053 6.466 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.699 -1.326 7.577 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.123 -1.483 6.767 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.037 -0.498 4.005 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -2.023 -1.930 4.303 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.530 -2.085 3.368 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.711 -6.135 6.846 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.318 -7.482 6.610 1.00 0.00 C ATOM 1639 C ILE B 11 -6.672 -7.572 7.324 1.00 0.00 C ATOM 1640 O ILE B 11 -7.561 -8.285 6.904 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.376 -8.567 7.143 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.162 -8.679 6.214 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -5.096 -9.921 7.188 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -2.067 -9.542 6.863 1.00 0.00 C ATOM 0 H ILE B 11 -3.725 -6.144 7.105 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.469 -7.629 5.541 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.058 -8.297 8.150 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.463 -9.118 5.263 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.770 -7.686 5.997 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.415 -10.683 7.568 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.964 -9.850 7.844 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.421 -10.194 6.184 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.212 -9.611 6.190 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.754 -9.086 7.802 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.458 -10.541 7.057 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.835 -6.856 8.400 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.131 -6.906 9.136 1.00 0.00 C ATOM 1658 C ASP B 12 -9.164 -6.044 8.408 1.00 0.00 C ATOM 1659 O ASP B 12 -10.255 -6.485 8.108 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.931 -6.377 10.558 1.00 0.00 C ATOM 1661 CG ASP B 12 -9.264 -6.409 11.309 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -10.240 -6.843 10.722 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -9.284 -5.996 12.457 1.00 0.00 O ATOM 0 H ASP B 12 -6.129 -6.239 8.802 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.485 -7.936 9.180 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.192 -6.983 11.082 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.544 -5.359 10.527 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.825 -4.821 8.119 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.774 -3.924 7.402 1.00 0.00 C ATOM 1670 C VAL B 13 -9.810 -4.310 5.922 1.00 0.00 C ATOM 1671 O VAL B 13 -10.784 -4.096 5.229 1.00 0.00 O ATOM 1672 CB VAL B 13 -9.294 -2.474 7.556 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -10.301 -1.501 6.921 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -9.139 -2.156 9.046 1.00 0.00 C ATOM 0 H VAL B 13 -7.925 -4.400 8.350 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.776 -4.022 7.819 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.336 -2.359 7.048 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.943 -0.478 7.040 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.406 -1.727 5.860 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.268 -1.607 7.412 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.798 -1.128 9.165 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.099 -2.280 9.546 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.409 -2.834 9.489 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.740 -4.872 5.438 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.702 -5.266 4.000 1.00 0.00 C ATOM 1686 C PHE B 14 -9.579 -6.509 3.769 1.00 0.00 C ATOM 1687 O PHE B 14 -10.296 -6.596 2.793 1.00 0.00 O ATOM 1688 CB PHE B 14 -7.252 -5.542 3.556 1.00 0.00 C ATOM 1689 CG PHE B 14 -7.231 -6.327 2.254 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -8.113 -6.004 1.208 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.336 -7.393 2.103 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -8.097 -6.748 0.026 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.320 -8.131 0.915 1.00 0.00 C ATOM 1694 CZ PHE B 14 -7.203 -7.809 -0.121 1.00 0.00 C ATOM 0 H PHE B 14 -7.894 -5.076 5.970 1.00 0.00 H new ATOM 0 HA PHE B 14 -9.095 -4.444 3.402 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.720 -4.600 3.427 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.728 -6.100 4.332 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.803 -5.181 1.318 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.658 -7.646 2.904 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -8.778 -6.502 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.626 -8.950 0.797 1.00 0.00 H new ATOM 0 HZ PHE B 14 -7.193 -8.383 -1.036 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.510 -7.480 4.641 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.323 -8.719 4.440 1.00 0.00 C ATOM 1706 C HIS B 15 -11.789 -8.483 4.841 1.00 0.00 C ATOM 1707 O HIS B 15 -12.688 -9.103 4.310 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.727 -9.856 5.290 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.077 -11.198 4.691 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.490 -12.373 5.133 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -10.927 -11.565 3.673 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -9.983 -13.380 4.389 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -10.862 -12.943 3.485 1.00 0.00 N ATOM 0 H HIS B 15 -8.930 -7.471 5.480 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.298 -8.990 3.385 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.644 -9.747 5.347 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.108 -9.795 6.310 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -11.549 -10.888 3.107 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -9.702 -14.416 4.509 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -11.376 -13.500 2.802 1.00 0.00 H new ATOM 1721 N GLN B 16 -12.036 -7.612 5.780 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.444 -7.362 6.217 1.00 0.00 C ATOM 1723 C GLN B 16 -14.241 -6.699 5.089 1.00 0.00 C ATOM 1724 O GLN B 16 -15.417 -6.952 4.903 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.431 -6.437 7.436 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.969 -7.216 8.673 1.00 0.00 C ATOM 1727 CD GLN B 16 -14.123 -8.067 9.207 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -15.176 -8.131 8.604 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.968 -8.729 10.321 1.00 0.00 N ATOM 0 H GLN B 16 -11.327 -7.062 6.265 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.914 -8.312 6.470 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.765 -5.593 7.257 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.427 -6.027 7.604 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -12.122 -7.853 8.418 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.627 -6.525 9.443 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -13.084 -8.675 10.827 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -14.731 -9.300 10.685 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.603 -5.873 4.315 1.00 0.00 N ATOM 1739 CA TYR B 17 -14.319 -5.203 3.190 1.00 0.00 C ATOM 1740 C TYR B 17 -14.186 -6.064 1.941 1.00 0.00 C ATOM 1741 O TYR B 17 -15.166 -6.476 1.354 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.706 -3.821 2.951 1.00 0.00 C ATOM 1743 CG TYR B 17 -14.218 -2.854 3.999 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.780 -2.964 5.324 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -15.135 -1.855 3.647 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -14.256 -2.073 6.295 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.611 -0.966 4.618 1.00 0.00 C ATOM 1748 CZ TYR B 17 -15.171 -1.075 5.942 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.640 -0.199 6.900 1.00 0.00 O ATOM 0 H TYR B 17 -12.617 -5.630 4.409 1.00 0.00 H new ATOM 0 HA TYR B 17 -15.375 -5.081 3.433 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.619 -3.881 2.996 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.964 -3.464 1.954 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.075 -3.735 5.598 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.475 -1.771 2.625 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.916 -2.157 7.317 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.318 -0.196 4.345 1.00 0.00 H new ATOM 0 HH TYR B 17 -15.236 -0.414 7.766 1.00 0.00 H new ATOM 1759 N SER B 18 -12.988 -6.360 1.536 1.00 0.00 N ATOM 1760 CA SER B 18 -12.815 -7.215 0.336 1.00 0.00 C ATOM 1761 C SER B 18 -13.629 -8.500 0.535 1.00 0.00 C ATOM 1762 O SER B 18 -13.977 -9.182 -0.407 1.00 0.00 O ATOM 1763 CB SER B 18 -11.332 -7.555 0.171 1.00 0.00 C ATOM 1764 OG SER B 18 -11.079 -7.896 -1.186 1.00 0.00 O ATOM 0 H SER B 18 -12.125 -6.049 1.981 1.00 0.00 H new ATOM 0 HA SER B 18 -13.161 -6.695 -0.557 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.717 -6.705 0.466 1.00 0.00 H new ATOM 0 HB3 SER B 18 -11.062 -8.385 0.824 1.00 0.00 H new ATOM 0 HG SER B 18 -10.546 -7.189 -1.607 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.930 -8.830 1.769 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.718 -10.069 2.062 1.00 0.00 C ATOM 1772 C GLY B 19 -16.187 -9.711 2.310 1.00 0.00 C ATOM 1773 O GLY B 19 -17.015 -10.578 2.515 1.00 0.00 O ATOM 0 H GLY B 19 -13.661 -8.290 2.591 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.641 -10.765 1.226 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -14.306 -10.574 2.936 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.531 -8.452 2.277 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.954 -8.058 2.492 1.00 0.00 C ATOM 1779 C ARG B 20 -18.822 -8.694 1.404 1.00 0.00 C ATOM 1780 O ARG B 20 -19.889 -9.214 1.666 1.00 0.00 O ATOM 1781 CB ARG B 20 -18.060 -6.530 2.412 1.00 0.00 C ATOM 1782 CG ARG B 20 -19.518 -6.068 2.562 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.599 -4.570 2.265 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.932 -4.050 2.680 1.00 0.00 N ATOM 1785 CZ ARG B 20 -21.162 -3.777 3.933 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -20.234 -3.987 4.827 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -22.318 -3.292 4.290 1.00 0.00 N ATOM 0 H ARG B 20 -15.888 -7.678 2.110 1.00 0.00 H new ATOM 0 HA ARG B 20 -18.296 -8.399 3.469 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -17.450 -6.079 3.194 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.662 -6.184 1.458 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -20.161 -6.623 1.878 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.875 -6.272 3.571 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.809 -4.040 2.797 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.442 -4.391 1.201 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.664 -3.908 1.984 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -19.330 -4.365 4.544 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -20.413 -3.773 5.808 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -23.040 -3.127 3.589 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -22.500 -3.078 5.270 1.00 0.00 H new ATOM 1801 N GLU B 21 -18.370 -8.653 0.184 1.00 0.00 N ATOM 1802 CA GLU B 21 -19.166 -9.254 -0.928 1.00 0.00 C ATOM 1803 C GLU B 21 -18.283 -9.437 -2.162 1.00 0.00 C ATOM 1804 O GLU B 21 -17.142 -9.024 -2.189 1.00 0.00 O ATOM 1805 CB GLU B 21 -20.369 -8.361 -1.277 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.943 -6.887 -1.469 1.00 0.00 C ATOM 1807 CD GLU B 21 -21.087 -5.950 -1.060 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -22.211 -6.418 -0.981 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -20.816 -4.783 -0.832 1.00 0.00 O ATOM 0 H GLU B 21 -17.485 -8.230 -0.095 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.536 -10.226 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.842 -8.726 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -21.114 -8.425 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -19.057 -6.675 -0.870 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -19.673 -6.711 -2.510 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.800 -10.067 -3.182 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.995 -10.288 -4.421 1.00 0.00 C ATOM 1818 C GLY B 22 -17.317 -11.655 -4.353 1.00 0.00 C ATOM 1819 O GLY B 22 -17.700 -12.510 -3.579 1.00 0.00 O ATOM 0 H GLY B 22 -19.749 -10.440 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -18.638 -10.233 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -17.245 -9.504 -4.525 1.00 0.00 H new ATOM 1823 N ASP B 23 -16.316 -11.869 -5.158 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.614 -13.182 -5.140 1.00 0.00 C ATOM 1825 C ASP B 23 -15.257 -13.554 -3.701 1.00 0.00 C ATOM 1826 O ASP B 23 -15.961 -14.302 -3.052 1.00 0.00 O ATOM 1827 CB ASP B 23 -14.337 -13.086 -5.977 1.00 0.00 C ATOM 1828 CG ASP B 23 -14.701 -12.725 -7.419 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -15.630 -11.954 -7.598 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -14.046 -13.227 -8.317 1.00 0.00 O ATOM 0 H ASP B 23 -15.953 -11.191 -5.828 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.266 -13.949 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -13.671 -12.332 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.800 -14.034 -5.952 1.00 0.00 H new ATOM 1835 N LYS B 24 -14.169 -13.041 -3.196 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.773 -13.375 -1.799 1.00 0.00 C ATOM 1837 C LYS B 24 -12.595 -12.487 -1.377 1.00 0.00 C ATOM 1838 O LYS B 24 -12.214 -12.453 -0.225 1.00 0.00 O ATOM 1839 CB LYS B 24 -13.367 -14.857 -1.743 1.00 0.00 C ATOM 1840 CG LYS B 24 -12.822 -15.234 -0.355 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.830 -14.849 0.736 1.00 0.00 C ATOM 1842 CE LYS B 24 -13.501 -15.605 2.028 1.00 0.00 C ATOM 1843 NZ LYS B 24 -14.304 -15.045 3.151 1.00 0.00 N ATOM 0 H LYS B 24 -13.539 -12.407 -3.688 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.606 -13.200 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.228 -15.482 -1.980 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -12.609 -15.058 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -12.623 -16.305 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -11.874 -14.726 -0.179 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -13.797 -13.774 0.913 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -14.843 -15.088 0.411 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -13.718 -16.666 1.906 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -12.437 -15.521 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.080 -15.558 4.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -14.076 -14.038 3.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -15.317 -15.148 2.939 1.00 0.00 H new ATOM 1857 N HIS B 25 -12.014 -11.755 -2.295 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.862 -10.882 -1.913 1.00 0.00 C ATOM 1859 C HIS B 25 -10.647 -9.776 -2.957 1.00 0.00 C ATOM 1860 O HIS B 25 -9.558 -9.583 -3.461 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.599 -11.769 -1.776 1.00 0.00 C ATOM 1862 CG HIS B 25 -8.803 -11.380 -0.557 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.319 -11.491 0.729 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -7.526 -10.897 -0.407 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -8.366 -11.085 1.585 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -7.257 -10.713 0.945 1.00 0.00 N ATOM 0 H HIS B 25 -12.283 -11.724 -3.279 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.069 -10.392 -0.962 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.891 -12.817 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.980 -11.669 -2.668 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -6.838 -10.692 -1.214 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -8.484 -11.063 2.658 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -6.392 -10.366 1.360 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.674 -9.031 -3.262 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.545 -7.917 -4.248 1.00 0.00 C ATOM 1876 C LYS B 26 -12.300 -6.707 -3.696 1.00 0.00 C ATOM 1877 O LYS B 26 -13.277 -6.848 -2.995 1.00 0.00 O ATOM 1878 CB LYS B 26 -12.159 -8.349 -5.586 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.676 -7.419 -6.717 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.323 -7.910 -7.272 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.546 -9.008 -8.323 1.00 0.00 C ATOM 1882 NZ LYS B 26 -10.827 -8.382 -9.647 1.00 0.00 N ATOM 0 H LYS B 26 -12.607 -9.147 -2.867 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.497 -7.664 -4.407 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.879 -9.379 -5.807 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.247 -8.321 -5.521 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.417 -7.392 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.575 -6.401 -6.342 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.780 -7.076 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.707 -8.294 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.665 -9.646 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.379 -9.646 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.978 -9.126 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.680 -7.791 -9.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -10.019 -7.791 -9.930 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.850 -5.519 -3.984 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.552 -4.312 -3.446 1.00 0.00 C ATOM 1898 C LEU B 27 -13.689 -3.902 -4.399 1.00 0.00 C ATOM 1899 O LEU B 27 -13.486 -3.681 -5.576 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.531 -3.161 -3.290 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.909 -2.218 -2.118 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.663 -1.479 -1.639 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -12.942 -1.187 -2.586 1.00 0.00 C ATOM 0 H LEU B 27 -11.033 -5.327 -4.564 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.986 -4.538 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.538 -3.576 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.482 -2.589 -4.217 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.328 -2.814 -1.307 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.927 -0.816 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -9.920 -2.201 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -10.250 -0.892 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.201 -0.529 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.523 -0.596 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -13.837 -1.702 -2.935 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.884 -3.786 -3.872 1.00 0.00 N ATOM 1916 CA LYS B 28 -16.066 -3.374 -4.697 1.00 0.00 C ATOM 1917 C LYS B 28 -16.369 -1.900 -4.395 1.00 0.00 C ATOM 1918 O LYS B 28 -16.189 -1.451 -3.286 1.00 0.00 O ATOM 1919 CB LYS B 28 -17.293 -4.209 -4.286 1.00 0.00 C ATOM 1920 CG LYS B 28 -17.320 -5.561 -5.014 1.00 0.00 C ATOM 1921 CD LYS B 28 -16.096 -6.415 -4.660 1.00 0.00 C ATOM 1922 CE LYS B 28 -15.993 -6.617 -3.144 1.00 0.00 C ATOM 1923 NZ LYS B 28 -17.352 -6.681 -2.544 1.00 0.00 N ATOM 0 H LYS B 28 -15.094 -3.962 -2.890 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.851 -3.524 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.278 -4.374 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.204 -3.655 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -18.230 -6.100 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.350 -5.395 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -16.166 -7.383 -5.156 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.191 -5.932 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -15.448 -7.536 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -15.428 -5.799 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -17.596 -5.755 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.044 -6.930 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -17.367 -7.402 -1.795 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.841 -1.140 -5.346 1.00 0.00 N ATOM 1938 CA LYS B 29 -17.157 0.291 -5.046 1.00 0.00 C ATOM 1939 C LYS B 29 -17.964 0.366 -3.741 1.00 0.00 C ATOM 1940 O LYS B 29 -17.667 1.152 -2.862 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.971 0.899 -6.195 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.091 1.034 -7.447 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.713 2.051 -8.408 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.104 1.575 -8.831 1.00 0.00 C ATOM 1945 NZ LYS B 29 -19.570 2.375 -9.999 1.00 0.00 N ATOM 0 H LYS B 29 -17.020 -1.439 -6.304 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.229 0.853 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.834 0.270 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.355 1.876 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.087 1.352 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.992 0.067 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.783 3.026 -7.926 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.077 2.173 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.074 0.517 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.804 1.681 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.516 2.051 -10.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.613 3.380 -9.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.907 2.252 -10.791 1.00 0.00 H new ATOM 1959 N SER B 30 -18.969 -0.460 -3.599 1.00 0.00 N ATOM 1960 CA SER B 30 -19.776 -0.448 -2.340 1.00 0.00 C ATOM 1961 C SER B 30 -18.829 -0.498 -1.138 1.00 0.00 C ATOM 1962 O SER B 30 -19.206 -0.222 -0.019 1.00 0.00 O ATOM 1963 CB SER B 30 -20.690 -1.675 -2.304 1.00 0.00 C ATOM 1964 OG SER B 30 -21.610 -1.610 -3.386 1.00 0.00 O ATOM 0 H SER B 30 -19.266 -1.141 -4.298 1.00 0.00 H new ATOM 0 HA SER B 30 -20.380 0.459 -2.304 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.096 -2.587 -2.371 1.00 0.00 H new ATOM 0 HB3 SER B 30 -21.228 -1.714 -1.357 1.00 0.00 H new ATOM 0 HG SER B 30 -22.195 -2.396 -3.366 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.587 -0.821 -1.384 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.572 -0.867 -0.284 1.00 0.00 C ATOM 1972 C GLU B 31 -15.717 0.390 -0.337 1.00 0.00 C ATOM 1973 O GLU B 31 -15.340 0.927 0.675 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.701 -2.115 -0.419 1.00 0.00 C ATOM 1975 CG GLU B 31 -16.596 -3.351 -0.326 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.748 -4.616 -0.425 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -14.534 -4.497 -0.395 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -16.327 -5.684 -0.534 1.00 0.00 O ATOM 0 H GLU B 31 -17.226 -1.058 -2.308 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.082 -0.912 0.678 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.170 -2.104 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.946 -2.135 0.367 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -17.144 -3.343 0.616 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.336 -3.336 -1.126 1.00 0.00 H new ATOM 1985 N LEU B 32 -15.413 0.877 -1.503 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.582 2.108 -1.581 1.00 0.00 C ATOM 1987 C LEU B 32 -15.384 3.286 -1.019 1.00 0.00 C ATOM 1988 O LEU B 32 -14.905 4.039 -0.194 1.00 0.00 O ATOM 1989 CB LEU B 32 -14.162 2.358 -3.050 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.674 2.736 -3.134 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -12.233 2.782 -4.599 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.462 4.111 -2.495 1.00 0.00 C ATOM 0 H LEU B 32 -15.700 0.482 -2.398 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.674 1.993 -0.988 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.349 1.463 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.770 3.156 -3.476 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.082 1.990 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -11.178 3.050 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.382 1.803 -5.055 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.824 3.525 -5.134 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.408 4.381 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -13.057 4.854 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.771 4.078 -1.450 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.605 3.435 -1.436 1.00 0.00 N ATOM 2005 CA LYS B 33 -17.441 4.543 -0.905 1.00 0.00 C ATOM 2006 C LYS B 33 -17.770 4.239 0.562 1.00 0.00 C ATOM 2007 O LYS B 33 -17.828 5.123 1.395 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.737 4.610 -1.734 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.608 5.655 -2.860 1.00 0.00 C ATOM 2010 CD LYS B 33 -19.592 5.327 -3.995 1.00 0.00 C ATOM 2011 CE LYS B 33 -19.221 3.991 -4.672 1.00 0.00 C ATOM 2012 NZ LYS B 33 -19.514 4.080 -6.130 1.00 0.00 N ATOM 0 H LYS B 33 -17.063 2.836 -2.123 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.918 5.497 -0.969 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.952 3.631 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -19.576 4.866 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.811 6.652 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -17.588 5.665 -3.243 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.606 5.270 -3.598 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -19.583 6.129 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -18.165 3.771 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -19.787 3.174 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -19.843 3.156 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -20.253 4.793 -6.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -18.651 4.353 -6.642 1.00 0.00 H new ATOM 2026 N GLU B 34 -18.005 2.995 0.870 1.00 0.00 N ATOM 2027 CA GLU B 34 -18.355 2.634 2.281 1.00 0.00 C ATOM 2028 C GLU B 34 -17.096 2.604 3.147 1.00 0.00 C ATOM 2029 O GLU B 34 -17.129 2.943 4.313 1.00 0.00 O ATOM 2030 CB GLU B 34 -19.036 1.267 2.322 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.530 0.987 3.744 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.318 -0.325 3.764 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.574 -0.855 2.695 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.648 -0.778 4.847 1.00 0.00 O ATOM 0 H GLU B 34 -17.972 2.214 0.215 1.00 0.00 H new ATOM 0 HA GLU B 34 -19.039 3.387 2.671 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.873 1.244 1.624 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.338 0.491 2.008 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.684 0.925 4.428 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.160 1.807 4.089 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.985 2.214 2.594 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.734 2.181 3.398 1.00 0.00 C ATOM 2043 C LEU B 35 -14.284 3.621 3.646 1.00 0.00 C ATOM 2044 O LEU B 35 -13.706 3.935 4.668 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.648 1.407 2.628 1.00 0.00 C ATOM 2046 CG LEU B 35 -12.318 1.373 3.412 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.378 0.311 4.512 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -11.173 1.024 2.455 1.00 0.00 C ATOM 0 H LEU B 35 -15.888 1.917 1.623 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.906 1.680 4.351 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.988 0.388 2.441 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.487 1.873 1.656 1.00 0.00 H new ATOM 0 HG LEU B 35 -12.151 2.352 3.862 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.434 0.298 5.057 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.191 0.545 5.200 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.552 -0.667 4.064 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -10.233 0.999 3.006 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.357 0.047 2.008 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.113 1.777 1.669 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.543 4.499 2.719 1.00 0.00 N ATOM 2061 CA ILE B 36 -14.126 5.913 2.907 1.00 0.00 C ATOM 2062 C ILE B 36 -15.055 6.588 3.924 1.00 0.00 C ATOM 2063 O ILE B 36 -14.631 7.402 4.720 1.00 0.00 O ATOM 2064 CB ILE B 36 -14.178 6.646 1.554 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.990 6.186 0.701 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -14.100 8.166 1.770 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -13.140 6.703 -0.730 1.00 0.00 C ATOM 0 H ILE B 36 -15.024 4.299 1.842 1.00 0.00 H new ATOM 0 HA ILE B 36 -13.105 5.952 3.287 1.00 0.00 H new ATOM 0 HB ILE B 36 -15.116 6.414 1.049 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -12.059 6.553 1.133 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.934 5.097 0.699 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -14.138 8.673 0.806 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.941 8.490 2.383 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -13.166 8.414 2.274 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.291 6.371 -1.328 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -14.062 6.315 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.174 7.792 -0.722 1.00 0.00 H new ATOM 2079 N ASN B 37 -16.316 6.259 3.900 1.00 0.00 N ATOM 2080 CA ASN B 37 -17.279 6.879 4.859 1.00 0.00 C ATOM 2081 C ASN B 37 -17.244 6.154 6.214 1.00 0.00 C ATOM 2082 O ASN B 37 -17.643 6.701 7.223 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.693 6.797 4.283 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.621 7.715 5.080 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -19.166 8.529 5.860 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -20.912 7.620 4.919 1.00 0.00 N ATOM 0 H ASN B 37 -16.726 5.584 3.255 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.994 7.920 5.011 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.687 7.090 3.233 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -19.056 5.770 4.325 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -21.538 8.228 5.447 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -21.296 6.938 4.265 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.823 4.912 6.237 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.818 4.144 7.530 1.00 0.00 C ATOM 2095 C ASN B 38 -15.430 4.147 8.189 1.00 0.00 C ATOM 2096 O ASN B 38 -15.315 4.332 9.384 1.00 0.00 O ATOM 2097 CB ASN B 38 -17.229 2.696 7.248 1.00 0.00 C ATOM 2098 CG ASN B 38 -18.592 2.676 6.551 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.959 3.622 5.883 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -19.363 1.632 6.683 1.00 0.00 N ATOM 0 H ASN B 38 -16.484 4.397 5.424 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.519 4.624 8.213 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.481 2.211 6.621 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -17.277 2.133 8.180 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -20.274 1.610 6.225 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -19.055 0.838 7.244 1.00 0.00 H new ATOM 2107 N GLU B 39 -14.383 3.930 7.439 1.00 0.00 N ATOM 2108 CA GLU B 39 -13.009 3.904 8.047 1.00 0.00 C ATOM 2109 C GLU B 39 -12.305 5.240 7.806 1.00 0.00 C ATOM 2110 O GLU B 39 -12.096 6.016 8.716 1.00 0.00 O ATOM 2111 CB GLU B 39 -12.196 2.776 7.403 1.00 0.00 C ATOM 2112 CG GLU B 39 -12.639 1.430 7.984 1.00 0.00 C ATOM 2113 CD GLU B 39 -12.104 1.285 9.412 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -11.062 1.853 9.695 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -12.748 0.609 10.198 1.00 0.00 O ATOM 0 H GLU B 39 -14.414 3.769 6.432 1.00 0.00 H new ATOM 0 HA GLU B 39 -13.093 3.735 9.121 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.338 2.782 6.322 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.132 2.930 7.585 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -13.727 1.363 7.984 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -12.269 0.615 7.362 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.936 5.512 6.587 1.00 0.00 N ATOM 2123 CA LEU B 40 -11.245 6.797 6.291 1.00 0.00 C ATOM 2124 C LEU B 40 -12.264 7.939 6.381 1.00 0.00 C ATOM 2125 O LEU B 40 -12.246 8.860 5.594 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.626 6.759 4.878 1.00 0.00 C ATOM 2127 CG LEU B 40 -10.109 5.355 4.531 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -9.613 5.354 3.088 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.953 4.980 5.456 1.00 0.00 C ATOM 0 H LEU B 40 -12.083 4.901 5.783 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.445 6.954 7.015 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -11.371 7.066 4.144 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.807 7.475 4.819 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.916 4.632 4.654 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -9.243 4.361 2.831 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -10.433 5.620 2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.807 6.080 2.980 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.593 3.983 5.203 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.143 5.700 5.336 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.297 4.989 6.490 1.00 0.00 H new ATOM 2141 N SER B 41 -13.159 7.894 7.330 1.00 0.00 N ATOM 2142 CA SER B 41 -14.171 8.983 7.451 1.00 0.00 C ATOM 2143 C SER B 41 -13.610 10.132 8.297 1.00 0.00 C ATOM 2144 O SER B 41 -14.075 11.251 8.222 1.00 0.00 O ATOM 2145 CB SER B 41 -15.419 8.411 8.126 1.00 0.00 C ATOM 2146 OG SER B 41 -16.560 9.155 7.721 1.00 0.00 O ATOM 0 H SER B 41 -13.234 7.152 8.026 1.00 0.00 H new ATOM 0 HA SER B 41 -14.419 9.368 6.462 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.542 7.362 7.858 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.311 8.452 9.210 1.00 0.00 H new ATOM 0 HG SER B 41 -17.271 8.539 7.445 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.627 9.862 9.116 1.00 0.00 N ATOM 2153 CA HIS B 42 -12.053 10.938 9.981 1.00 0.00 C ATOM 2154 C HIS B 42 -10.827 11.562 9.306 1.00 0.00 C ATOM 2155 O HIS B 42 -10.399 12.641 9.667 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.643 10.334 11.326 1.00 0.00 C ATOM 2157 CG HIS B 42 -12.839 9.690 11.972 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.810 8.387 12.447 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -14.107 10.155 12.226 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -14.025 8.114 12.957 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -14.850 9.157 12.846 1.00 0.00 N ATOM 0 H HIS B 42 -12.196 8.944 9.224 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.803 11.714 10.135 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.854 9.596 11.180 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -11.238 11.109 11.977 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -14.470 11.142 11.982 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -14.298 7.168 13.401 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -15.822 9.211 13.152 1.00 0.00 H new ATOM 2170 N PHE B 43 -10.257 10.894 8.332 1.00 0.00 N ATOM 2171 CA PHE B 43 -9.051 11.446 7.627 1.00 0.00 C ATOM 2172 C PHE B 43 -9.439 11.856 6.202 1.00 0.00 C ATOM 2173 O PHE B 43 -9.059 12.908 5.729 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.950 10.371 7.574 1.00 0.00 C ATOM 2175 CG PHE B 43 -7.150 10.384 8.863 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -7.800 10.196 10.088 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.762 10.588 8.834 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -7.067 10.208 11.281 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -5.030 10.601 10.027 1.00 0.00 C ATOM 2180 CZ PHE B 43 -5.682 10.411 11.250 1.00 0.00 C ATOM 0 H PHE B 43 -10.575 9.986 7.992 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.679 12.317 8.167 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.397 9.388 7.423 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.291 10.555 6.725 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -8.869 10.041 10.113 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.258 10.735 7.890 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -7.570 10.061 12.225 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.962 10.758 10.003 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.117 10.421 12.170 1.00 0.00 H new ATOM 2190 N LEU B 44 -10.185 11.031 5.510 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.590 11.374 4.110 1.00 0.00 C ATOM 2192 C LEU B 44 -12.009 11.950 4.126 1.00 0.00 C ATOM 2193 O LEU B 44 -12.901 11.414 4.754 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.554 10.109 3.233 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.124 9.839 2.723 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.699 10.908 1.692 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -8.138 9.826 3.911 1.00 0.00 C ATOM 0 H LEU B 44 -10.531 10.135 5.853 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.899 12.111 3.700 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.908 9.253 3.807 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.231 10.228 2.387 1.00 0.00 H new ATOM 0 HG LEU B 44 -9.109 8.866 2.232 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -7.687 10.698 1.346 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.384 10.888 0.844 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.726 11.893 2.157 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -7.129 9.635 3.545 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.164 10.792 4.416 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -8.424 9.042 4.613 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.223 13.040 3.441 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.581 13.651 3.417 1.00 0.00 C ATOM 2211 C GLU B 45 -14.612 12.589 3.022 1.00 0.00 C ATOM 2212 O GLU B 45 -14.409 11.827 2.098 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.612 14.791 2.396 1.00 0.00 C ATOM 2214 CG GLU B 45 -12.595 15.862 2.794 1.00 0.00 C ATOM 2215 CD GLU B 45 -12.793 17.101 1.918 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -13.610 17.037 1.014 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -12.124 18.090 2.165 1.00 0.00 O ATOM 0 H GLU B 45 -11.515 13.534 2.897 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.819 14.042 4.406 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.383 14.409 1.401 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.611 15.223 2.349 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.718 16.123 3.845 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -11.582 15.478 2.677 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.717 12.534 3.715 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.759 11.524 3.377 1.00 0.00 C ATOM 2226 C GLU B 46 -17.315 11.810 1.984 1.00 0.00 C ATOM 2227 O GLU B 46 -18.110 12.711 1.801 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.907 11.602 4.388 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.427 11.137 5.765 1.00 0.00 C ATOM 2230 CD GLU B 46 -16.593 12.239 6.422 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -17.186 13.143 6.989 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -15.378 12.161 6.346 1.00 0.00 O ATOM 0 H GLU B 46 -15.943 13.145 4.500 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.310 10.531 3.405 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.279 12.625 4.450 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.738 10.981 4.055 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.282 10.891 6.395 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.833 10.229 5.666 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.922 11.054 0.998 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.461 11.304 -0.363 1.00 0.00 C ATOM 2241 C ILE B 47 -18.907 10.815 -0.421 1.00 0.00 C ATOM 2242 O ILE B 47 -19.245 9.777 0.112 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.634 10.562 -1.421 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -16.515 9.080 -1.060 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.233 11.165 -1.510 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -15.827 8.344 -2.209 1.00 0.00 C ATOM 0 H ILE B 47 -16.259 10.283 1.075 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.412 12.373 -0.571 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.139 10.662 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.943 8.961 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.503 8.656 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.654 10.631 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.306 12.217 -1.787 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -14.737 11.078 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.737 7.286 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.418 8.455 -3.118 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.834 8.765 -2.368 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.763 11.558 -1.070 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.198 11.153 -1.191 1.00 0.00 C ATOM 2260 C LYS B 48 -21.511 10.983 -2.674 1.00 0.00 C ATOM 2261 O LYS B 48 -22.540 10.462 -3.054 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.089 12.243 -0.595 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.735 12.435 0.884 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.670 13.477 1.502 1.00 0.00 C ATOM 2265 CE LYS B 48 -22.170 13.845 2.900 1.00 0.00 C ATOM 2266 NZ LYS B 48 -22.149 12.624 3.756 1.00 0.00 N ATOM 0 H LYS B 48 -19.528 12.439 -1.527 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.381 10.221 -0.655 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.952 13.178 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.138 11.967 -0.697 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -21.826 11.488 1.416 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.698 12.758 0.982 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -22.708 14.366 0.872 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.685 13.083 1.559 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -21.171 14.277 2.839 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.818 14.602 3.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -22.076 12.902 4.756 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -23.025 12.083 3.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -21.331 12.035 3.500 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.604 11.420 -3.513 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.794 11.303 -4.990 1.00 0.00 C ATOM 2282 C GLU B 49 -19.715 10.381 -5.555 1.00 0.00 C ATOM 2283 O GLU B 49 -18.535 10.647 -5.450 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.672 12.688 -5.631 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.808 13.587 -5.134 1.00 0.00 C ATOM 2286 CD GLU B 49 -23.149 13.043 -5.634 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -23.140 12.302 -6.604 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -24.160 13.375 -5.039 1.00 0.00 O ATOM 0 H GLU B 49 -19.728 11.859 -3.231 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.781 10.893 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.708 13.132 -5.381 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.712 12.602 -6.717 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -21.804 13.627 -4.045 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.662 14.606 -5.491 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.117 9.294 -6.144 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.132 8.336 -6.714 1.00 0.00 C ATOM 2297 C GLN B 50 -18.248 9.038 -7.751 1.00 0.00 C ATOM 2298 O GLN B 50 -17.177 8.574 -8.082 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.889 7.173 -7.376 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.557 7.632 -8.684 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.356 8.917 -8.442 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -22.234 8.951 -7.604 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -21.086 9.984 -9.146 1.00 0.00 N ATOM 0 H GLN B 50 -21.094 9.025 -6.257 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.495 7.955 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -19.199 6.354 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -20.645 6.788 -6.691 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -19.799 7.804 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.216 6.849 -9.059 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -20.349 9.957 -9.850 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -21.612 10.844 -8.991 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.703 10.134 -8.292 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.913 10.846 -9.336 1.00 0.00 C ATOM 2314 C GLU B 51 -16.436 10.900 -8.985 1.00 0.00 C ATOM 2315 O GLU B 51 -15.591 10.667 -9.827 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.452 12.267 -9.516 1.00 0.00 C ATOM 2317 CG GLU B 51 -17.635 12.996 -10.586 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.320 14.317 -10.941 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -18.384 15.178 -10.079 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -18.769 14.445 -12.067 1.00 0.00 O ATOM 0 H GLU B 51 -19.594 10.570 -8.054 1.00 0.00 H new ATOM 0 HA GLU B 51 -18.016 10.289 -10.268 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.502 12.234 -9.806 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -18.399 12.809 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.625 13.184 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -17.542 12.372 -11.475 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.094 11.184 -7.767 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.651 11.218 -7.423 1.00 0.00 C ATOM 2329 C VAL B 52 -14.174 9.791 -7.275 1.00 0.00 C ATOM 2330 O VAL B 52 -13.077 9.447 -7.671 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.427 12.001 -6.123 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -14.573 13.499 -6.401 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.458 11.581 -5.070 1.00 0.00 C ATOM 0 H VAL B 52 -16.738 11.391 -7.004 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.088 11.721 -8.209 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.426 11.788 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -14.414 14.057 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -13.835 13.805 -7.142 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.574 13.703 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -15.290 12.143 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -16.462 11.786 -5.442 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -15.357 10.515 -4.867 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.985 8.946 -6.722 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.562 7.537 -6.571 1.00 0.00 C ATOM 2345 C VAL B 53 -14.428 6.963 -7.977 1.00 0.00 C ATOM 2346 O VAL B 53 -13.690 6.032 -8.224 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.586 6.767 -5.685 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.477 5.834 -6.517 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.840 5.927 -4.639 1.00 0.00 C ATOM 0 H VAL B 53 -15.916 9.167 -6.370 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.603 7.445 -6.061 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.220 7.511 -5.202 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.176 5.317 -5.860 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -17.033 6.419 -7.249 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.856 5.102 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.561 5.390 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.190 5.212 -5.143 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.239 6.582 -4.008 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.121 7.551 -8.911 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.010 7.082 -10.313 1.00 0.00 C ATOM 2361 C ASP B 54 -13.695 7.626 -10.852 1.00 0.00 C ATOM 2362 O ASP B 54 -13.037 7.016 -11.672 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.176 7.624 -11.141 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.448 6.848 -10.800 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.458 6.183 -9.776 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.393 6.931 -11.568 1.00 0.00 O ATOM 0 H ASP B 54 -15.757 8.334 -8.762 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.038 5.994 -10.366 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.319 8.685 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.955 7.531 -12.204 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.305 8.776 -10.371 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.024 9.380 -10.819 1.00 0.00 C ATOM 2373 C LYS B 55 -10.868 8.702 -10.082 1.00 0.00 C ATOM 2374 O LYS B 55 -9.934 8.220 -10.693 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.025 10.890 -10.512 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.778 11.577 -11.133 1.00 0.00 C ATOM 2377 CD LYS B 55 -9.652 11.718 -10.087 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.857 12.990 -9.263 1.00 0.00 C ATOM 2379 NZ LYS B 55 -8.779 13.096 -8.239 1.00 0.00 N ATOM 0 H LYS B 55 -13.824 9.323 -9.684 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.907 9.238 -11.893 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.933 11.346 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.034 11.047 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.421 10.994 -11.982 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.051 12.561 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.643 10.848 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -8.683 11.751 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -9.843 13.864 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -10.833 12.969 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -8.917 13.961 -7.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.813 12.267 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -7.854 13.134 -8.712 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.912 8.653 -8.770 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.803 7.998 -8.015 1.00 0.00 C ATOM 2395 C VAL B 56 -9.546 6.616 -8.621 1.00 0.00 C ATOM 2396 O VAL B 56 -8.418 6.207 -8.812 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.186 7.897 -6.516 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -11.019 6.638 -6.237 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.918 7.857 -5.655 1.00 0.00 C ATOM 0 H VAL B 56 -11.663 9.036 -8.196 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.889 8.587 -8.088 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.783 8.774 -6.265 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.272 6.596 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.935 6.669 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.443 5.753 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.195 7.786 -4.603 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.318 6.990 -5.932 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.339 8.766 -5.817 1.00 0.00 H new ATOM 2409 N MET B 57 -10.589 5.900 -8.938 1.00 0.00 N ATOM 2410 CA MET B 57 -10.407 4.558 -9.547 1.00 0.00 C ATOM 2411 C MET B 57 -9.660 4.724 -10.871 1.00 0.00 C ATOM 2412 O MET B 57 -8.912 3.862 -11.287 1.00 0.00 O ATOM 2413 CB MET B 57 -11.777 3.918 -9.802 1.00 0.00 C ATOM 2414 CG MET B 57 -12.427 3.519 -8.468 1.00 0.00 C ATOM 2415 SD MET B 57 -11.766 1.918 -7.925 1.00 0.00 S ATOM 2416 CE MET B 57 -13.341 1.098 -7.552 1.00 0.00 C ATOM 0 H MET B 57 -11.558 6.188 -8.801 1.00 0.00 H new ATOM 0 HA MET B 57 -9.837 3.916 -8.875 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.421 4.618 -10.335 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.665 3.040 -10.438 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.230 4.280 -7.713 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.509 3.457 -8.583 1.00 0.00 H new ATOM 0 HE1 MET B 57 -13.157 0.054 -7.300 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.820 1.596 -6.709 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.994 1.151 -8.423 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.848 5.836 -11.529 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.142 6.069 -12.819 1.00 0.00 C ATOM 2428 C GLU B 58 -7.647 6.212 -12.542 1.00 0.00 C ATOM 2429 O GLU B 58 -6.816 5.919 -13.377 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.675 7.354 -13.470 1.00 0.00 C ATOM 2431 CG GLU B 58 -9.316 7.365 -14.959 1.00 0.00 C ATOM 2432 CD GLU B 58 -9.647 8.734 -15.555 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -10.822 9.027 -15.703 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -8.718 9.466 -15.857 1.00 0.00 O ATOM 0 H GLU B 58 -10.461 6.593 -11.227 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.313 5.231 -13.495 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.756 7.414 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.248 8.227 -12.977 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.256 7.147 -15.090 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.869 6.585 -15.483 1.00 0.00 H new ATOM 2441 N THR B 59 -7.304 6.665 -11.368 1.00 0.00 N ATOM 2442 CA THR B 59 -5.867 6.838 -11.016 1.00 0.00 C ATOM 2443 C THR B 59 -5.337 5.565 -10.355 1.00 0.00 C ATOM 2444 O THR B 59 -4.174 5.234 -10.479 1.00 0.00 O ATOM 2445 CB THR B 59 -5.724 8.008 -10.044 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.317 9.170 -10.610 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.242 8.268 -9.778 1.00 0.00 C ATOM 0 H THR B 59 -7.962 6.924 -10.633 1.00 0.00 H new ATOM 0 HA THR B 59 -5.296 7.037 -11.923 1.00 0.00 H new ATOM 0 HB THR B 59 -6.225 7.767 -9.106 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.227 9.920 -9.986 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.138 9.103 -9.085 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.788 7.377 -9.344 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.741 8.510 -10.715 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.173 4.856 -9.633 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.695 3.609 -8.940 1.00 0.00 C ATOM 2457 C LEU B 60 -6.030 2.361 -9.762 1.00 0.00 C ATOM 2458 O LEU B 60 -5.194 1.497 -9.931 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.354 3.509 -7.556 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.554 4.328 -6.530 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.150 3.706 -6.301 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.414 5.772 -7.034 1.00 0.00 C ATOM 0 H LEU B 60 -7.158 5.081 -9.492 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.612 3.666 -8.832 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.379 3.875 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.403 2.466 -7.242 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.087 4.320 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.602 4.303 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.260 2.688 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.601 3.691 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.847 6.357 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.892 5.774 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.404 6.211 -7.160 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.219 2.236 -10.284 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.544 1.021 -11.089 1.00 0.00 C ATOM 2476 C ASP B 61 -6.520 0.873 -12.202 1.00 0.00 C ATOM 2477 O ASP B 61 -6.488 1.634 -13.149 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.941 1.187 -11.680 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.475 -0.164 -12.146 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.766 -1.146 -11.999 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.583 -0.193 -12.646 1.00 0.00 O ATOM 0 H ASP B 61 -7.975 2.915 -10.190 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.518 0.130 -10.462 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.612 1.615 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.910 1.884 -12.518 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.679 -0.114 -12.088 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.639 -0.344 -13.127 1.00 0.00 C ATOM 2488 C GLU B 62 -5.206 -1.289 -14.169 1.00 0.00 C ATOM 2489 O GLU B 62 -4.960 -1.156 -15.351 1.00 0.00 O ATOM 2490 CB GLU B 62 -3.389 -0.955 -12.477 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.173 -0.754 -13.387 1.00 0.00 C ATOM 2492 CD GLU B 62 -2.359 -1.557 -14.675 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -2.654 -2.737 -14.576 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -2.201 -0.981 -15.739 1.00 0.00 O ATOM 0 H GLU B 62 -5.667 -0.777 -11.313 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.358 0.597 -13.599 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -3.209 -0.490 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -3.546 -2.018 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.051 0.304 -13.620 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.266 -1.074 -12.875 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.993 -2.228 -13.740 1.00 0.00 N ATOM 2502 CA ASP B 63 -6.612 -3.163 -14.701 1.00 0.00 C ATOM 2503 C ASP B 63 -7.855 -2.483 -15.263 1.00 0.00 C ATOM 2504 O ASP B 63 -8.522 -3.002 -16.137 1.00 0.00 O ATOM 2505 CB ASP B 63 -7.002 -4.461 -13.979 1.00 0.00 C ATOM 2506 CG ASP B 63 -5.901 -4.839 -12.987 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -5.962 -4.374 -11.860 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -5.015 -5.585 -13.370 1.00 0.00 O ATOM 0 H ASP B 63 -6.233 -2.386 -12.761 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.918 -3.413 -15.504 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -7.949 -4.329 -13.456 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -7.147 -5.263 -14.702 1.00 0.00 H new ATOM 2513 N GLY B 64 -8.184 -1.317 -14.757 1.00 0.00 N ATOM 2514 CA GLY B 64 -9.396 -0.620 -15.263 1.00 0.00 C ATOM 2515 C GLY B 64 -10.575 -1.567 -15.097 1.00 0.00 C ATOM 2516 O GLY B 64 -11.383 -1.735 -15.989 1.00 0.00 O ATOM 0 H GLY B 64 -7.669 -0.828 -14.025 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.566 0.303 -14.709 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -9.270 -0.345 -16.310 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.661 -2.209 -13.958 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.777 -3.184 -13.723 1.00 0.00 C ATOM 2522 C ASP B 65 -12.852 -2.558 -12.836 1.00 0.00 C ATOM 2523 O ASP B 65 -13.882 -3.150 -12.588 1.00 0.00 O ATOM 2524 CB ASP B 65 -11.218 -4.434 -13.038 1.00 0.00 C ATOM 2525 CG ASP B 65 -10.345 -4.021 -11.851 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -10.507 -2.907 -11.381 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.530 -4.828 -11.433 1.00 0.00 O ATOM 0 H ASP B 65 -10.009 -2.102 -13.181 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.223 -3.451 -14.681 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -12.035 -5.071 -12.698 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.632 -5.019 -13.747 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.624 -1.373 -12.349 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.645 -0.733 -11.471 1.00 0.00 C ATOM 2534 C GLY B 66 -13.524 -1.340 -10.078 1.00 0.00 C ATOM 2535 O GLY B 66 -14.314 -1.076 -9.194 1.00 0.00 O ATOM 0 H GLY B 66 -11.783 -0.822 -12.518 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.489 0.345 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.646 -0.896 -11.871 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.519 -2.150 -9.886 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.284 -2.798 -8.564 1.00 0.00 C ATOM 2541 C GLU B 67 -10.812 -2.608 -8.214 1.00 0.00 C ATOM 2542 O GLU B 67 -9.981 -2.459 -9.089 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.603 -4.291 -8.654 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.998 -4.480 -9.253 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.418 -5.946 -9.121 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.916 -6.755 -9.884 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -15.234 -6.234 -8.261 1.00 0.00 O ATOM 0 H GLU B 67 -11.837 -2.395 -10.604 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.923 -2.353 -7.801 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.859 -4.796 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.557 -4.744 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.715 -3.838 -8.741 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.998 -4.184 -10.302 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.480 -2.588 -6.949 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.052 -2.383 -6.544 1.00 0.00 C ATOM 2556 C CYS B 68 -8.497 -3.638 -5.877 1.00 0.00 C ATOM 2557 O CYS B 68 -8.722 -3.877 -4.704 1.00 0.00 O ATOM 2558 CB CYS B 68 -8.971 -1.221 -5.552 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.779 0.236 -6.256 1.00 0.00 S ATOM 0 H CYS B 68 -11.135 -2.705 -6.176 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.465 -2.164 -7.436 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.451 -1.497 -4.613 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -7.929 -0.997 -5.324 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.750 -0.140 -7.035 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.777 -4.446 -6.611 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.200 -5.676 -6.007 1.00 0.00 C ATOM 2567 C ASP B 69 -6.389 -5.274 -4.775 1.00 0.00 C ATOM 2568 O ASP B 69 -6.431 -4.145 -4.343 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.285 -6.370 -7.021 1.00 0.00 C ATOM 2570 CG ASP B 69 -7.077 -6.685 -8.291 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -7.887 -5.859 -8.680 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.861 -7.745 -8.854 1.00 0.00 O ATOM 0 H ASP B 69 -7.566 -4.305 -7.599 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.998 -6.363 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.436 -5.729 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.882 -7.288 -6.594 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.651 -6.179 -4.203 1.00 0.00 N ATOM 2578 CA PHE B 70 -4.851 -5.835 -2.988 1.00 0.00 C ATOM 2579 C PHE B 70 -3.605 -5.020 -3.365 1.00 0.00 C ATOM 2580 O PHE B 70 -3.115 -4.224 -2.590 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.403 -7.138 -2.309 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.183 -8.212 -3.357 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.020 -8.206 -4.135 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.142 -9.216 -3.542 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -2.816 -9.201 -5.099 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -4.938 -10.210 -4.507 1.00 0.00 C ATOM 2587 CZ PHE B 70 -3.776 -10.203 -5.286 1.00 0.00 C ATOM 0 H PHE B 70 -5.564 -7.144 -4.521 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.469 -5.239 -2.317 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.483 -6.970 -1.749 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.157 -7.464 -1.593 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.279 -7.433 -3.992 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.039 -9.224 -2.940 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -1.918 -9.196 -5.699 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.679 -10.983 -4.650 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.620 -10.969 -6.031 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.069 -5.254 -4.519 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.829 -4.552 -4.929 1.00 0.00 C ATOM 2599 C GLN B 71 -2.079 -3.057 -5.121 1.00 0.00 C ATOM 2600 O GLN B 71 -1.315 -2.226 -4.658 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.316 -5.179 -6.230 1.00 0.00 C ATOM 2602 CG GLN B 71 0.022 -4.556 -6.590 1.00 0.00 C ATOM 2603 CD GLN B 71 0.679 -5.353 -7.718 1.00 0.00 C ATOM 2604 OE1 GLN B 71 1.359 -6.331 -7.471 1.00 0.00 O ATOM 2605 NE2 GLN B 71 0.507 -4.972 -8.955 1.00 0.00 N ATOM 0 H GLN B 71 -3.440 -5.910 -5.207 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.081 -4.660 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -1.209 -6.257 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.034 -5.017 -7.034 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.120 -3.521 -6.899 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.673 -4.541 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.063 -4.152 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN B 71 0.943 -5.494 -9.715 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.147 -2.685 -5.767 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.422 -1.233 -5.955 1.00 0.00 C ATOM 2616 C GLU B 72 -4.266 -0.718 -4.787 1.00 0.00 C ATOM 2617 O GLU B 72 -4.158 0.423 -4.392 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.138 -1.018 -7.296 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.613 -1.480 -7.223 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.056 -2.038 -8.583 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.913 -1.328 -9.567 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.523 -3.164 -8.616 1.00 0.00 O ATOM 0 H GLU B 72 -3.838 -3.318 -6.171 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.487 -0.674 -5.973 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -4.098 0.037 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.620 -1.569 -8.081 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.726 -2.243 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.251 -0.643 -6.938 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.109 -1.539 -4.223 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.934 -1.049 -3.084 1.00 0.00 C ATOM 2631 C PHE B 73 -5.010 -0.472 -2.020 1.00 0.00 C ATOM 2632 O PHE B 73 -5.272 0.570 -1.462 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.771 -2.190 -2.493 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.410 -1.781 -1.173 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -8.029 -0.526 -1.021 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.405 -2.684 -0.098 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.630 -0.185 0.195 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.013 -2.339 1.114 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.625 -1.091 1.259 1.00 0.00 C ATOM 0 H PHE B 73 -5.261 -2.510 -4.495 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.617 -0.278 -3.439 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.548 -2.479 -3.201 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.139 -3.065 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.040 0.174 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.930 -3.648 -0.207 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.099 0.781 0.312 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.009 -3.037 1.938 1.00 0.00 H new ATOM 0 HZ PHE B 73 -9.095 -0.826 2.195 1.00 0.00 H new ATOM 2649 N MET B 74 -3.913 -1.109 -1.743 1.00 0.00 N ATOM 2650 CA MET B 74 -3.003 -0.517 -0.739 1.00 0.00 C ATOM 2651 C MET B 74 -2.484 0.776 -1.358 1.00 0.00 C ATOM 2652 O MET B 74 -2.385 1.800 -0.712 1.00 0.00 O ATOM 2653 CB MET B 74 -1.850 -1.496 -0.429 1.00 0.00 C ATOM 2654 CG MET B 74 -1.461 -1.428 1.061 1.00 0.00 C ATOM 2655 SD MET B 74 0.279 -1.907 1.250 1.00 0.00 S ATOM 2656 CE MET B 74 0.157 -2.827 2.807 1.00 0.00 C ATOM 0 H MET B 74 -3.613 -1.992 -2.157 1.00 0.00 H new ATOM 0 HA MET B 74 -3.507 -0.318 0.206 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.151 -2.512 -0.685 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.985 -1.254 -1.047 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.616 -0.419 1.443 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.098 -2.092 1.646 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.916 -3.609 2.828 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.313 -2.147 3.645 1.00 0.00 H new ATOM 0 HE3 MET B 74 -0.832 -3.279 2.886 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.160 0.722 -2.619 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.647 1.953 -3.294 1.00 0.00 C ATOM 2668 C ALA B 75 -2.629 3.107 -3.067 1.00 0.00 C ATOM 2669 O ALA B 75 -2.264 4.263 -3.150 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.474 1.696 -4.792 1.00 0.00 C ATOM 0 H ALA B 75 -2.226 -0.108 -3.208 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.678 2.218 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.100 2.599 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.764 0.883 -4.942 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.435 1.423 -5.228 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.865 2.813 -2.761 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.833 3.922 -2.510 1.00 0.00 C ATOM 2678 C PHE B 76 -4.495 4.536 -1.155 1.00 0.00 C ATOM 2679 O PHE B 76 -4.278 5.725 -1.044 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.281 3.400 -2.533 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.231 4.404 -1.901 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.238 5.742 -2.327 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.114 3.991 -0.894 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.124 6.658 -1.744 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.998 4.906 -0.315 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.005 6.239 -0.738 1.00 0.00 C ATOM 0 H PHE B 76 -4.242 1.869 -2.675 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.754 4.676 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.585 3.204 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.338 2.452 -1.998 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.561 6.065 -3.104 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.111 2.963 -0.564 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.128 7.688 -2.070 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.677 4.583 0.460 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.689 6.945 -0.290 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.415 3.737 -0.126 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.054 4.299 1.204 1.00 0.00 C ATOM 2698 C VAL B 77 -2.749 5.086 1.058 1.00 0.00 C ATOM 2699 O VAL B 77 -2.520 6.075 1.722 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.837 3.168 2.213 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.660 3.763 3.606 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.043 2.232 2.223 1.00 0.00 C ATOM 0 H VAL B 77 -4.582 2.731 -0.148 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.859 4.944 1.557 1.00 0.00 H new ATOM 0 HB VAL B 77 -2.948 2.606 1.928 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.505 2.961 4.327 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.796 4.427 3.611 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.552 4.327 3.877 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -4.877 1.432 2.944 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.936 2.792 2.501 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.179 1.803 1.230 1.00 0.00 H new ATOM 2712 N SER B 78 -1.892 4.641 0.189 1.00 0.00 N ATOM 2713 CA SER B 78 -0.598 5.336 -0.022 1.00 0.00 C ATOM 2714 C SER B 78 -0.865 6.706 -0.631 1.00 0.00 C ATOM 2715 O SER B 78 -0.157 7.659 -0.395 1.00 0.00 O ATOM 2716 CB SER B 78 0.267 4.514 -0.980 1.00 0.00 C ATOM 2717 OG SER B 78 1.636 4.797 -0.726 1.00 0.00 O ATOM 0 H SER B 78 -2.035 3.815 -0.392 1.00 0.00 H new ATOM 0 HA SER B 78 -0.079 5.450 0.930 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.071 3.450 -0.845 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.018 4.756 -2.013 1.00 0.00 H new ATOM 0 HG SER B 78 2.191 4.365 -1.408 1.00 0.00 H new ATOM 2723 N MET B 79 -1.889 6.801 -1.419 1.00 0.00 N ATOM 2724 CA MET B 79 -2.221 8.096 -2.063 1.00 0.00 C ATOM 2725 C MET B 79 -2.801 9.054 -1.033 1.00 0.00 C ATOM 2726 O MET B 79 -2.597 10.250 -1.102 1.00 0.00 O ATOM 2727 CB MET B 79 -3.254 7.862 -3.169 1.00 0.00 C ATOM 2728 CG MET B 79 -3.435 9.137 -4.015 1.00 0.00 C ATOM 2729 SD MET B 79 -5.156 9.244 -4.577 1.00 0.00 S ATOM 2730 CE MET B 79 -4.832 9.691 -6.300 1.00 0.00 C ATOM 0 H MET B 79 -2.518 6.031 -1.648 1.00 0.00 H new ATOM 0 HA MET B 79 -1.314 8.527 -2.487 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.933 7.038 -3.806 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.208 7.572 -2.729 1.00 0.00 H new ATOM 0 HG2 MET B 79 -3.177 10.017 -3.426 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.761 9.118 -4.872 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.772 9.719 -6.851 1.00 0.00 H new ATOM 0 HE2 MET B 79 -4.359 10.672 -6.339 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.170 8.951 -6.750 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.503 8.545 -0.061 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.068 9.434 0.980 1.00 0.00 C ATOM 2742 C VAL B 80 -2.988 9.603 2.031 1.00 0.00 C ATOM 2743 O VAL B 80 -2.852 10.645 2.641 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.362 8.830 1.585 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.040 7.929 0.554 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.065 8.002 2.851 1.00 0.00 C ATOM 0 H VAL B 80 -3.708 7.552 0.054 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.353 10.399 0.562 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.017 9.658 1.858 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.949 7.506 0.982 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.293 8.514 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.362 7.123 0.273 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -5.996 7.595 3.246 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.389 7.184 2.601 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.600 8.640 3.602 1.00 0.00 H new ATOM 2756 N THR B 81 -2.193 8.587 2.230 1.00 0.00 N ATOM 2757 CA THR B 81 -1.106 8.718 3.224 1.00 0.00 C ATOM 2758 C THR B 81 -0.107 9.713 2.667 1.00 0.00 C ATOM 2759 O THR B 81 0.482 10.491 3.390 1.00 0.00 O ATOM 2760 CB THR B 81 -0.412 7.372 3.438 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.376 6.390 3.792 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.623 7.505 4.556 1.00 0.00 C ATOM 0 H THR B 81 -2.252 7.688 1.753 1.00 0.00 H new ATOM 0 HA THR B 81 -1.508 9.050 4.181 1.00 0.00 H new ATOM 0 HB THR B 81 0.087 7.070 2.517 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.183 6.831 4.130 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.118 6.546 4.709 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.363 8.256 4.279 1.00 0.00 H new ATOM 0 HG23 THR B 81 0.126 7.808 5.478 1.00 0.00 H new ATOM 2770 N THR B 82 0.103 9.691 1.377 1.00 0.00 N ATOM 2771 CA THR B 82 1.076 10.630 0.770 1.00 0.00 C ATOM 2772 C THR B 82 0.611 12.070 0.965 1.00 0.00 C ATOM 2773 O THR B 82 1.403 12.940 1.262 1.00 0.00 O ATOM 2774 CB THR B 82 1.192 10.311 -0.718 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.105 10.113 -1.259 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.029 9.035 -0.903 1.00 0.00 C ATOM 0 H THR B 82 -0.360 9.061 0.722 1.00 0.00 H new ATOM 0 HA THR B 82 2.048 10.519 1.251 1.00 0.00 H new ATOM 0 HB THR B 82 1.677 11.140 -1.234 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.774 10.497 -0.654 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.113 8.806 -1.965 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.024 9.189 -0.485 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.544 8.204 -0.390 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.661 12.344 0.823 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.129 13.737 1.031 1.00 0.00 C ATOM 2786 C ALA B 83 -0.816 14.127 2.470 1.00 0.00 C ATOM 2787 O ALA B 83 -0.501 15.261 2.768 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.639 13.817 0.794 1.00 0.00 C ATOM 0 H ALA B 83 -1.384 11.669 0.575 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.630 14.412 0.335 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.978 14.842 0.948 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.864 13.510 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.152 13.156 1.493 1.00 0.00 H new ATOM 2794 N CYS B 84 -0.888 13.183 3.366 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.578 13.490 4.789 1.00 0.00 C ATOM 2796 C CYS B 84 0.923 13.749 4.919 1.00 0.00 C ATOM 2797 O CYS B 84 1.378 14.347 5.873 1.00 0.00 O ATOM 2798 CB CYS B 84 -0.975 12.304 5.672 1.00 0.00 C ATOM 2799 SG CYS B 84 -2.632 11.742 5.213 1.00 0.00 S ATOM 0 H CYS B 84 -1.147 12.215 3.175 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.136 14.370 5.108 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.258 11.492 5.553 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -0.956 12.596 6.722 1.00 0.00 H new ATOM 0 HG CYS B 84 -2.559 11.000 4.148 1.00 0.00 H new ATOM 2805 N HIS B 85 1.695 13.303 3.961 1.00 0.00 N ATOM 2806 CA HIS B 85 3.172 13.524 4.016 1.00 0.00 C ATOM 2807 C HIS B 85 3.521 14.818 3.269 1.00 0.00 C ATOM 2808 O HIS B 85 4.431 15.529 3.647 1.00 0.00 O ATOM 2809 CB HIS B 85 3.896 12.330 3.354 1.00 0.00 C ATOM 2810 CG HIS B 85 5.238 12.763 2.807 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.473 12.890 1.447 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.403 13.136 3.427 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.736 13.325 1.293 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.350 13.490 2.469 1.00 0.00 N ATOM 0 H HIS B 85 1.365 12.794 3.141 1.00 0.00 H new ATOM 0 HA HIS B 85 3.491 13.608 5.055 1.00 0.00 H new ATOM 0 HB2 HIS B 85 4.034 11.531 4.083 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.282 11.925 2.550 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.562 13.153 4.495 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.198 13.518 0.336 1.00 0.00 H new ATOM 0 HE2 HIS B 85 8.306 13.807 2.630 1.00 0.00 H new ATOM 2822 N GLU B 86 2.823 15.127 2.211 1.00 0.00 N ATOM 2823 CA GLU B 86 3.162 16.371 1.461 1.00 0.00 C ATOM 2824 C GLU B 86 2.666 17.589 2.244 1.00 0.00 C ATOM 2825 O GLU B 86 3.313 18.617 2.287 1.00 0.00 O ATOM 2826 CB GLU B 86 2.527 16.327 0.058 1.00 0.00 C ATOM 2827 CG GLU B 86 1.053 16.750 0.113 1.00 0.00 C ATOM 2828 CD GLU B 86 0.338 16.306 -1.168 1.00 0.00 C ATOM 2829 OE1 GLU B 86 0.677 15.251 -1.678 1.00 0.00 O ATOM 2830 OE2 GLU B 86 -0.535 17.030 -1.616 1.00 0.00 O ATOM 0 H GLU B 86 2.045 14.583 1.837 1.00 0.00 H new ATOM 0 HA GLU B 86 4.243 16.446 1.345 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.075 16.987 -0.615 1.00 0.00 H new ATOM 0 HB3 GLU B 86 2.606 15.319 -0.350 1.00 0.00 H new ATOM 0 HG2 GLU B 86 0.570 16.305 0.983 1.00 0.00 H new ATOM 0 HG3 GLU B 86 0.979 17.832 0.225 1.00 0.00 H new ATOM 2837 N PHE B 87 1.528 17.476 2.868 1.00 0.00 N ATOM 2838 CA PHE B 87 0.988 18.619 3.656 1.00 0.00 C ATOM 2839 C PHE B 87 2.007 19.018 4.725 1.00 0.00 C ATOM 2840 O PHE B 87 2.450 20.148 4.783 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.324 18.193 4.322 1.00 0.00 C ATOM 2842 CG PHE B 87 -0.876 19.329 5.152 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -1.559 20.382 4.530 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -0.711 19.326 6.542 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -2.075 21.431 5.299 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -1.230 20.376 7.312 1.00 0.00 C ATOM 2847 CZ PHE B 87 -1.911 21.428 6.689 1.00 0.00 C ATOM 0 H PHE B 87 0.946 16.638 2.867 1.00 0.00 H new ATOM 0 HA PHE B 87 0.801 19.470 3.001 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.049 17.901 3.562 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.155 17.320 4.952 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -1.687 20.384 3.458 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -0.184 18.514 7.021 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -2.600 22.244 4.820 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -1.105 20.373 8.385 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.310 22.238 7.281 1.00 0.00 H new ATOM 2857 N PHE B 88 2.386 18.097 5.569 1.00 0.00 N ATOM 2858 CA PHE B 88 3.380 18.423 6.631 1.00 0.00 C ATOM 2859 C PHE B 88 4.734 18.732 5.987 1.00 0.00 C ATOM 2860 O PHE B 88 5.485 19.557 6.469 1.00 0.00 O ATOM 2861 CB PHE B 88 3.520 17.231 7.581 1.00 0.00 C ATOM 2862 CG PHE B 88 4.607 17.512 8.592 1.00 0.00 C ATOM 2863 CD1 PHE B 88 5.946 17.269 8.266 1.00 0.00 C ATOM 2864 CD2 PHE B 88 4.275 18.014 9.857 1.00 0.00 C ATOM 2865 CE1 PHE B 88 6.953 17.527 9.204 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.280 18.272 10.794 1.00 0.00 C ATOM 2867 CZ PHE B 88 6.620 18.029 10.468 1.00 0.00 C ATOM 0 H PHE B 88 2.051 17.134 5.569 1.00 0.00 H new ATOM 0 HA PHE B 88 3.042 19.294 7.192 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.574 17.047 8.091 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.759 16.330 7.017 1.00 0.00 H new ATOM 0 HD1 PHE B 88 6.203 16.882 7.291 1.00 0.00 H new ATOM 0 HD2 PHE B 88 3.242 18.202 10.109 1.00 0.00 H new ATOM 0 HE1 PHE B 88 7.986 17.339 8.953 1.00 0.00 H new ATOM 0 HE2 PHE B 88 5.023 18.659 11.769 1.00 0.00 H new ATOM 0 HZ PHE B 88 7.397 18.229 11.191 1.00 0.00 H new