USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1078 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 107 GLN :FLIP amide:sc= -0.244 X(o=-1.3,f=-1.2) USER MOD Set 1.2: A 125 GLN :FLIP amide:sc= -0.912 F(o=-2.7,f=-1.2) USER MOD Set 2.1: A 12 GLN : amide:sc= -5.63! C(o=-16!,f=-27!) USER MOD Set 2.2: A 40 HIS : no HE2:sc= -10.7! C(o=-16!,f=-20!) USER MOD Set 3.1: A 3 GLN :FLIP amide:sc= 0 F(o=-3,f=-2.1) USER MOD Set 3.2: A 8 MET CE :methyl 142:sc= -2.14 (180deg=-3.22!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.6) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.971 K(o=-0.97,f=-4!) USER MOD Single : A 25 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.038) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0099 (180deg=-0.157) USER MOD Single : A 30 GLN : amide:sc= -0.0354 X(o=-0.035,f=-0.53) USER MOD Single : A 31 ASN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -118:sc= -0.296 (180deg=-0.786) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc=-0.00404 (180deg=-0.593) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot -15:sc= -1.07 USER MOD Single : A 49 GLN : amide:sc= -5.46 K(o=-5.5,f=-7.5!) USER MOD Single : A 50 MET CE :methyl -117:sc= -4.57! (180deg=-5.17!) USER MOD Single : A 53 HIS : no HD1:sc= -3.43 K(o=-3.4,f=-4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0531) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -171:sc= -3.13! (180deg=-3.71) USER MOD Single : A 71 CYS SG : rot 105:sc= -2.87! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.96! C(o=-5!,f=-8.7!) USER MOD Single : A 78 THR OG1 : rot 58:sc= -2.92 USER MOD Single : A 81 THR OG1 : rot -103:sc= 0.59 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0326 X(o=-0.033,f=0) USER MOD Single : A 100 CYS SG : rot 100:sc= -2.95! USER MOD Single : A 104 GLN :FLIP amide:sc= -0.548 F(o=-1.7,f=-0.55) USER MOD Single : A 105 TYR OH : rot 114:sc= 0.836 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 118 THR OG1 : rot -60:sc= -0.976 USER MOD Single : A 119 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 121 THR OG1 : rot -153:sc= -0.533 USER MOD Single : A 123 MET CE :methyl 169:sc= -9.89! (180deg=-10.4!) USER MOD Single : A 126 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.678 25.813 8.092 1.00 0.00 N ATOM 2 CA ALA A 1 -6.310 25.724 7.517 1.00 0.00 C ATOM 3 C ALA A 1 -5.913 24.272 7.274 1.00 0.00 C ATOM 4 O ALA A 1 -5.023 23.741 7.940 1.00 0.00 O ATOM 5 CB ALA A 1 -5.306 26.402 8.438 1.00 0.00 C ATOM 0 H1 ALA A 1 -7.925 26.811 8.248 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.360 25.387 7.433 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.708 25.303 8.998 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.310 26.239 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.308 26.329 8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.574 27.452 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.316 25.911 9.411 1.00 0.00 H new ATOM 13 N ARG A 2 -6.580 23.632 6.319 1.00 0.00 N ATOM 14 CA ARG A 2 -6.295 22.241 5.987 1.00 0.00 C ATOM 15 C ARG A 2 -4.838 22.069 5.570 1.00 0.00 C ATOM 16 O ARG A 2 -4.084 21.324 6.199 1.00 0.00 O ATOM 17 CB ARG A 2 -7.224 21.757 4.871 1.00 0.00 C ATOM 18 CG ARG A 2 -8.374 20.898 5.366 1.00 0.00 C ATOM 19 CD ARG A 2 -9.461 21.741 6.016 1.00 0.00 C ATOM 20 NE ARG A 2 -10.780 21.124 5.895 1.00 0.00 N ATOM 21 CZ ARG A 2 -11.212 20.137 6.677 1.00 0.00 C ATOM 22 NH1 ARG A 2 -10.434 19.652 7.636 1.00 0.00 N ATOM 23 NH2 ARG A 2 -12.426 19.632 6.499 1.00 0.00 N ATOM 0 H ARG A 2 -7.322 24.055 5.761 1.00 0.00 H new ATOM 0 HA ARG A 2 -6.471 21.638 6.878 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -7.628 22.622 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.642 21.187 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.797 20.338 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.001 20.167 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.225 21.887 7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.479 22.728 5.554 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.407 21.470 5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.499 20.035 7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.770 18.896 8.232 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.029 20.000 5.763 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.757 18.876 7.098 1.00 0.00 H new ATOM 37 N GLN A 3 -4.448 22.769 4.512 1.00 0.00 N ATOM 38 CA GLN A 3 -3.079 22.702 4.005 1.00 0.00 C ATOM 39 C GLN A 3 -2.079 22.994 5.117 1.00 0.00 C ATOM 40 O GLN A 3 -1.043 22.338 5.224 1.00 0.00 O ATOM 41 CB GLN A 3 -2.891 23.696 2.857 1.00 0.00 C ATOM 42 CG GLN A 3 -1.468 23.754 2.325 1.00 0.00 C ATOM 43 CD GLN A 3 -1.348 23.203 0.918 1.00 0.00 C ATOM 44 OE1 GLN A 3 -1.553 21.898 0.774 1.00 0.00 O flip ATOM 45 NE2 GLN A 3 -1.076 23.940 -0.029 1.00 0.00 N flip ATOM 0 H GLN A 3 -5.061 23.392 3.986 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.900 21.693 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.563 23.428 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.183 24.690 3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.122 24.787 2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.813 23.190 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.926 24.937 0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.000 23.554 -0.970 1.00 0.00 H new ATOM 54 N GLN A 4 -2.402 23.978 5.948 1.00 0.00 N ATOM 55 CA GLN A 4 -1.534 24.350 7.057 1.00 0.00 C ATOM 56 C GLN A 4 -1.359 23.176 8.016 1.00 0.00 C ATOM 57 O GLN A 4 -0.305 23.015 8.630 1.00 0.00 O ATOM 58 CB GLN A 4 -2.103 25.556 7.805 1.00 0.00 C ATOM 59 CG GLN A 4 -1.218 26.040 8.943 1.00 0.00 C ATOM 60 CD GLN A 4 0.157 26.471 8.470 1.00 0.00 C ATOM 61 OE1 GLN A 4 0.460 27.663 8.414 1.00 0.00 O ATOM 62 NE2 GLN A 4 0.998 25.501 8.124 1.00 0.00 N ATOM 0 H GLN A 4 -3.256 24.531 5.875 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.559 24.619 6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.252 26.373 7.099 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.084 25.296 8.204 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.704 26.876 9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.112 25.244 9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.705 24.526 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 4 1.936 25.732 7.797 1.00 0.00 H new ATOM 71 N GLU A 5 -2.399 22.355 8.132 1.00 0.00 N ATOM 72 CA GLU A 5 -2.358 21.193 9.005 1.00 0.00 C ATOM 73 C GLU A 5 -1.564 20.070 8.343 1.00 0.00 C ATOM 74 O GLU A 5 -0.608 19.549 8.919 1.00 0.00 O ATOM 75 CB GLU A 5 -3.786 20.742 9.347 1.00 0.00 C ATOM 76 CG GLU A 5 -4.005 19.237 9.292 1.00 0.00 C ATOM 77 CD GLU A 5 -5.229 18.797 10.071 1.00 0.00 C ATOM 78 OE1 GLU A 5 -6.357 19.065 9.606 1.00 0.00 O ATOM 79 OE2 GLU A 5 -5.061 18.184 11.146 1.00 0.00 O ATOM 0 H GLU A 5 -3.279 22.476 7.631 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.856 21.457 9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.035 21.096 10.347 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.480 21.222 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.110 18.927 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.125 18.731 9.689 1.00 0.00 H new ATOM 86 N ILE A 6 -1.956 19.718 7.124 1.00 0.00 N ATOM 87 CA ILE A 6 -1.269 18.675 6.371 1.00 0.00 C ATOM 88 C ILE A 6 0.217 18.985 6.294 1.00 0.00 C ATOM 89 O ILE A 6 1.053 18.253 6.828 1.00 0.00 O ATOM 90 CB ILE A 6 -1.827 18.561 4.936 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.308 18.180 4.959 1.00 0.00 C ATOM 92 CG2 ILE A 6 -1.033 17.555 4.113 1.00 0.00 C ATOM 93 CD1 ILE A 6 -4.207 19.274 4.436 1.00 0.00 C ATOM 0 H ILE A 6 -2.746 20.140 6.636 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.431 17.730 6.889 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.727 19.538 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.455 17.280 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.599 17.936 5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.450 17.497 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.008 17.872 4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.088 16.574 4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.245 18.943 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.086 20.168 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.940 19.502 3.404 1.00 0.00 H new ATOM 105 N ASP A 7 0.529 20.085 5.621 1.00 0.00 N ATOM 106 CA ASP A 7 1.905 20.533 5.447 1.00 0.00 C ATOM 107 C ASP A 7 2.836 19.364 5.128 1.00 0.00 C ATOM 108 O ASP A 7 3.417 18.759 6.028 1.00 0.00 O ATOM 109 CB ASP A 7 2.391 21.260 6.703 1.00 0.00 C ATOM 110 CG ASP A 7 3.777 21.848 6.532 1.00 0.00 C ATOM 111 OD1 ASP A 7 4.700 21.093 6.159 1.00 0.00 O ATOM 112 OD2 ASP A 7 3.940 23.063 6.769 1.00 0.00 O ATOM 0 H ASP A 7 -0.163 20.691 5.181 1.00 0.00 H new ATOM 0 HA ASP A 7 1.925 21.222 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.690 22.057 6.952 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.396 20.565 7.543 1.00 0.00 H new ATOM 117 N MET A 8 2.969 19.055 3.845 1.00 0.00 N ATOM 118 CA MET A 8 3.826 17.959 3.407 1.00 0.00 C ATOM 119 C MET A 8 5.252 18.133 3.937 1.00 0.00 C ATOM 120 O MET A 8 5.573 17.664 5.030 1.00 0.00 O ATOM 121 CB MET A 8 3.823 17.861 1.878 1.00 0.00 C ATOM 122 CG MET A 8 2.458 17.535 1.293 1.00 0.00 C ATOM 123 SD MET A 8 1.703 18.941 0.454 1.00 0.00 S ATOM 124 CE MET A 8 0.492 19.452 1.671 1.00 0.00 C ATOM 0 H MET A 8 2.495 19.548 3.088 1.00 0.00 H new ATOM 0 HA MET A 8 3.429 17.029 3.815 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.172 18.806 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.534 17.094 1.570 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.557 16.709 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.797 17.196 2.091 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.433 20.540 1.691 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.483 19.041 1.409 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.788 19.086 2.654 1.00 0.00 H new ATOM 134 N LYS A 9 6.103 18.812 3.166 1.00 0.00 N ATOM 135 CA LYS A 9 7.490 19.050 3.566 1.00 0.00 C ATOM 136 C LYS A 9 8.132 17.789 4.144 1.00 0.00 C ATOM 137 O LYS A 9 8.971 17.866 5.041 1.00 0.00 O ATOM 138 CB LYS A 9 7.557 20.186 4.589 1.00 0.00 C ATOM 139 CG LYS A 9 7.762 21.557 3.963 1.00 0.00 C ATOM 140 CD LYS A 9 9.006 22.240 4.506 1.00 0.00 C ATOM 141 CE LYS A 9 8.785 22.761 5.916 1.00 0.00 C ATOM 142 NZ LYS A 9 9.909 23.624 6.374 1.00 0.00 N ATOM 0 H LYS A 9 5.855 19.207 2.259 1.00 0.00 H new ATOM 0 HA LYS A 9 8.049 19.333 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.635 20.195 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.371 19.989 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.845 21.455 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.890 22.181 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.839 21.537 4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.284 23.066 3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.855 23.328 5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.672 21.920 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.719 23.958 7.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.793 23.076 6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.001 24.441 5.737 1.00 0.00 H new ATOM 156 N ARG A 10 7.733 16.633 3.625 1.00 0.00 N ATOM 157 CA ARG A 10 8.272 15.362 4.094 1.00 0.00 C ATOM 158 C ARG A 10 8.605 14.444 2.924 1.00 0.00 C ATOM 159 O ARG A 10 7.980 14.517 1.866 1.00 0.00 O ATOM 160 CB ARG A 10 7.275 14.675 5.028 1.00 0.00 C ATOM 161 CG ARG A 10 6.975 15.470 6.290 1.00 0.00 C ATOM 162 CD ARG A 10 7.831 15.010 7.458 1.00 0.00 C ATOM 163 NE ARG A 10 8.850 15.994 7.813 1.00 0.00 N ATOM 164 CZ ARG A 10 9.478 16.023 8.986 1.00 0.00 C ATOM 165 NH1 ARG A 10 9.196 15.121 9.920 1.00 0.00 N ATOM 166 NH2 ARG A 10 10.391 16.953 9.228 1.00 0.00 N ATOM 0 H ARG A 10 7.040 16.550 2.881 1.00 0.00 H new ATOM 0 HA ARG A 10 9.191 15.568 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.344 14.502 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.667 13.698 5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.152 16.529 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.921 15.363 6.546 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.194 14.821 8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.312 14.066 7.204 1.00 0.00 H new ATOM 0 HE ARG A 10 9.095 16.702 7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.495 14.402 9.740 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.680 15.148 10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.613 17.648 8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.872 16.974 10.127 1.00 0.00 H new ATOM 180 N GLN A 11 9.592 13.576 3.123 1.00 0.00 N ATOM 181 CA GLN A 11 10.009 12.640 2.086 1.00 0.00 C ATOM 182 C GLN A 11 8.864 11.704 1.709 1.00 0.00 C ATOM 183 O GLN A 11 7.979 11.432 2.519 1.00 0.00 O ATOM 184 CB GLN A 11 11.215 11.825 2.556 1.00 0.00 C ATOM 185 CG GLN A 11 12.452 12.667 2.819 1.00 0.00 C ATOM 186 CD GLN A 11 12.982 13.332 1.565 1.00 0.00 C ATOM 187 OE1 GLN A 11 12.405 13.196 0.484 1.00 0.00 O ATOM 188 NE2 GLN A 11 14.084 14.059 1.699 1.00 0.00 N ATOM 0 H GLN A 11 10.118 13.502 3.994 1.00 0.00 H new ATOM 0 HA GLN A 11 10.292 13.216 1.205 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.949 11.290 3.468 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.451 11.073 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.216 13.432 3.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.231 12.037 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.530 14.145 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.485 14.531 0.889 1.00 0.00 H new ATOM 197 N GLN A 12 8.888 11.217 0.474 1.00 0.00 N ATOM 198 CA GLN A 12 7.853 10.313 -0.013 1.00 0.00 C ATOM 199 C GLN A 12 8.463 9.011 -0.522 1.00 0.00 C ATOM 200 O GLN A 12 9.014 8.962 -1.621 1.00 0.00 O ATOM 201 CB GLN A 12 7.049 10.983 -1.128 1.00 0.00 C ATOM 202 CG GLN A 12 6.413 12.299 -0.710 1.00 0.00 C ATOM 203 CD GLN A 12 5.564 12.166 0.540 1.00 0.00 C ATOM 204 OE1 GLN A 12 4.637 11.358 0.592 1.00 0.00 O ATOM 205 NE2 GLN A 12 5.878 12.963 1.555 1.00 0.00 N ATOM 0 H GLN A 12 9.614 11.433 -0.209 1.00 0.00 H new ATOM 0 HA GLN A 12 7.187 10.080 0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.704 11.160 -1.981 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.267 10.301 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.196 13.037 -0.536 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.796 12.675 -1.526 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.655 13.618 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.342 12.920 2.422 1.00 0.00 H new ATOM 214 N ARG A 13 8.361 7.960 0.285 1.00 0.00 N ATOM 215 CA ARG A 13 8.903 6.660 -0.087 1.00 0.00 C ATOM 216 C ARG A 13 7.787 5.646 -0.311 1.00 0.00 C ATOM 217 O ARG A 13 6.965 5.404 0.572 1.00 0.00 O ATOM 218 CB ARG A 13 9.859 6.152 0.995 1.00 0.00 C ATOM 219 CG ARG A 13 10.817 7.215 1.511 1.00 0.00 C ATOM 220 CD ARG A 13 10.714 7.376 3.020 1.00 0.00 C ATOM 221 NE ARG A 13 11.761 8.248 3.550 1.00 0.00 N ATOM 222 CZ ARG A 13 13.049 7.913 3.598 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.452 6.728 3.156 1.00 0.00 N ATOM 224 NH2 ARG A 13 13.938 8.766 4.090 1.00 0.00 N ATOM 0 H ARG A 13 7.909 7.984 1.199 1.00 0.00 H new ATOM 0 HA ARG A 13 9.452 6.780 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.276 5.765 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.436 5.318 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.839 6.946 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.600 8.167 1.027 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.737 7.786 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.783 6.397 3.495 1.00 0.00 H new ATOM 0 HE ARG A 13 11.489 9.166 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.774 6.068 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.440 6.478 3.196 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.635 9.678 4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.925 8.510 4.127 1.00 0.00 H new ATOM 238 N PHE A 14 7.770 5.053 -1.500 1.00 0.00 N ATOM 239 CA PHE A 14 6.762 4.057 -1.849 1.00 0.00 C ATOM 240 C PHE A 14 7.397 2.674 -1.916 1.00 0.00 C ATOM 241 O PHE A 14 8.478 2.509 -2.478 1.00 0.00 O ATOM 242 CB PHE A 14 6.113 4.409 -3.190 1.00 0.00 C ATOM 243 CG PHE A 14 5.777 5.867 -3.327 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.780 6.809 -3.497 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.461 6.296 -3.278 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.477 8.151 -3.617 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.152 7.639 -3.393 1.00 0.00 C ATOM 248 CZ PHE A 14 5.161 8.566 -3.563 1.00 0.00 C ATOM 0 H PHE A 14 8.445 5.245 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 14 5.990 4.052 -1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.787 4.122 -3.997 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.203 3.821 -3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.811 6.489 -3.536 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.668 5.574 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.267 8.874 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.122 7.962 -3.350 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.921 9.615 -3.654 1.00 0.00 H new ATOM 258 N PHE A 15 6.736 1.682 -1.326 1.00 0.00 N ATOM 259 CA PHE A 15 7.276 0.327 -1.319 1.00 0.00 C ATOM 260 C PHE A 15 6.229 -0.711 -1.714 1.00 0.00 C ATOM 261 O PHE A 15 5.038 -0.549 -1.449 1.00 0.00 O ATOM 262 CB PHE A 15 7.844 -0.004 0.061 1.00 0.00 C ATOM 263 CG PHE A 15 8.646 1.116 0.659 1.00 0.00 C ATOM 264 CD1 PHE A 15 9.922 1.397 0.198 1.00 0.00 C ATOM 265 CD2 PHE A 15 8.119 1.893 1.677 1.00 0.00 C ATOM 266 CE1 PHE A 15 10.658 2.432 0.743 1.00 0.00 C ATOM 267 CE2 PHE A 15 8.851 2.929 2.226 1.00 0.00 C ATOM 268 CZ PHE A 15 10.122 3.200 1.759 1.00 0.00 C ATOM 0 H PHE A 15 5.839 1.788 -0.853 1.00 0.00 H new ATOM 0 HA PHE A 15 8.072 0.289 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.023 -0.253 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.473 -0.891 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.346 0.801 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.125 1.687 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.652 2.640 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.429 3.527 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.695 4.009 2.186 1.00 0.00 H new ATOM 278 N ARG A 16 6.703 -1.781 -2.344 1.00 0.00 N ATOM 279 CA ARG A 16 5.844 -2.874 -2.785 1.00 0.00 C ATOM 280 C ARG A 16 6.609 -4.192 -2.702 1.00 0.00 C ATOM 281 O ARG A 16 7.790 -4.251 -3.042 1.00 0.00 O ATOM 282 CB ARG A 16 5.359 -2.624 -4.220 1.00 0.00 C ATOM 283 CG ARG A 16 4.936 -3.884 -4.967 1.00 0.00 C ATOM 284 CD ARG A 16 4.478 -3.568 -6.382 1.00 0.00 C ATOM 285 NE ARG A 16 5.384 -4.123 -7.384 1.00 0.00 N ATOM 286 CZ ARG A 16 5.580 -5.427 -7.566 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.933 -6.313 -6.820 1.00 0.00 N ATOM 288 NH2 ARG A 16 6.424 -5.846 -8.499 1.00 0.00 N ATOM 0 H ARG A 16 7.690 -1.915 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 16 4.972 -2.929 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.517 -1.933 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.155 -2.134 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.770 -4.585 -5.002 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.129 -4.376 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.476 -3.968 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.413 -2.487 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 16 5.897 -3.473 -7.980 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.281 -5.996 -6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.087 -7.311 -6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.923 -5.169 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.575 -6.845 -8.639 1.00 0.00 H new ATOM 302 N ILE A 17 5.940 -5.241 -2.243 1.00 0.00 N ATOM 303 CA ILE A 17 6.582 -6.544 -2.116 1.00 0.00 C ATOM 304 C ILE A 17 5.584 -7.685 -2.313 1.00 0.00 C ATOM 305 O ILE A 17 4.576 -7.769 -1.608 1.00 0.00 O ATOM 306 CB ILE A 17 7.282 -6.710 -0.745 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.732 -5.703 0.275 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.789 -6.546 -0.901 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.442 -5.740 1.612 1.00 0.00 C ATOM 0 H ILE A 17 4.962 -5.217 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 17 7.335 -6.591 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 17 7.076 -7.713 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.811 -4.698 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.671 -5.900 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.270 -6.665 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.168 -7.302 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.008 -5.554 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.999 -5.002 2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.341 -6.733 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.498 -5.512 1.469 1.00 0.00 H new ATOM 321 N PRO A 18 5.853 -8.585 -3.279 1.00 0.00 N ATOM 322 CA PRO A 18 4.988 -9.723 -3.568 1.00 0.00 C ATOM 323 C PRO A 18 5.357 -10.946 -2.735 1.00 0.00 C ATOM 324 O PRO A 18 6.475 -11.453 -2.824 1.00 0.00 O ATOM 325 CB PRO A 18 5.271 -9.978 -5.045 1.00 0.00 C ATOM 326 CG PRO A 18 6.706 -9.604 -5.225 1.00 0.00 C ATOM 327 CD PRO A 18 7.028 -8.567 -4.170 1.00 0.00 C ATOM 0 HA PRO A 18 3.940 -9.529 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.098 -11.022 -5.307 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.622 -9.377 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.349 -10.477 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.878 -9.204 -6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.941 -8.817 -3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.178 -7.582 -4.612 1.00 0.00 H new ATOM 335 N PHE A 19 4.414 -11.416 -1.926 1.00 0.00 N ATOM 336 CA PHE A 19 4.653 -12.578 -1.079 1.00 0.00 C ATOM 337 C PHE A 19 3.435 -13.495 -1.050 1.00 0.00 C ATOM 338 O PHE A 19 2.307 -13.054 -1.268 1.00 0.00 O ATOM 339 CB PHE A 19 5.002 -12.134 0.342 1.00 0.00 C ATOM 340 CG PHE A 19 3.917 -11.337 1.006 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.742 -11.947 1.420 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.070 -9.975 1.218 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.743 -11.216 2.031 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.071 -9.239 1.830 1.00 0.00 C ATOM 345 CZ PHE A 19 1.906 -9.860 2.235 1.00 0.00 C ATOM 0 H PHE A 19 3.481 -11.012 -1.839 1.00 0.00 H new ATOM 0 HA PHE A 19 5.492 -13.133 -1.498 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.216 -13.015 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.914 -11.538 0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.607 -13.007 1.262 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.978 -9.484 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.834 -11.705 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.202 -8.179 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.124 -9.286 2.710 1.00 0.00 H new ATOM 355 N ILE A 20 3.673 -14.772 -0.774 1.00 0.00 N ATOM 356 CA ILE A 20 2.597 -15.754 -0.707 1.00 0.00 C ATOM 357 C ILE A 20 2.290 -16.121 0.739 1.00 0.00 C ATOM 358 O ILE A 20 3.196 -16.232 1.566 1.00 0.00 O ATOM 359 CB ILE A 20 2.954 -17.038 -1.482 1.00 0.00 C ATOM 360 CG1 ILE A 20 3.352 -16.704 -2.918 1.00 0.00 C ATOM 361 CG2 ILE A 20 1.787 -18.016 -1.465 1.00 0.00 C ATOM 362 CD1 ILE A 20 3.828 -17.906 -3.704 1.00 0.00 C ATOM 0 H ILE A 20 4.602 -15.152 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 20 1.720 -15.297 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 20 3.804 -17.510 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.499 -16.259 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.142 -15.953 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.058 -18.916 -2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.549 -18.280 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.917 -17.553 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.094 -17.597 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.701 -18.338 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.032 -18.649 -3.750 1.00 0.00 H new ATOM 374 N ARG A 21 1.012 -16.315 1.040 1.00 0.00 N ATOM 375 CA ARG A 21 0.597 -16.676 2.389 1.00 0.00 C ATOM 376 C ARG A 21 1.266 -17.978 2.823 1.00 0.00 C ATOM 377 O ARG A 21 1.356 -18.927 2.043 1.00 0.00 O ATOM 378 CB ARG A 21 -0.926 -16.811 2.458 1.00 0.00 C ATOM 379 CG ARG A 21 -1.586 -15.758 3.331 1.00 0.00 C ATOM 380 CD ARG A 21 -3.002 -15.455 2.869 1.00 0.00 C ATOM 381 NE ARG A 21 -3.580 -14.319 3.583 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.797 -13.834 3.345 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.568 -14.385 2.415 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.244 -12.798 4.040 1.00 0.00 N ATOM 0 H ARG A 21 0.247 -16.229 0.370 1.00 0.00 H new ATOM 0 HA ARG A 21 0.908 -15.884 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.335 -16.745 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.179 -17.800 2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.606 -16.102 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.993 -14.844 3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.997 -15.246 1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.628 -16.334 3.019 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.018 -13.871 4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.229 -15.184 1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.499 -14.010 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.656 -12.373 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.176 -12.426 3.858 1.00 0.00 H new ATOM 398 N PRO A 22 1.756 -18.042 4.073 1.00 0.00 N ATOM 399 CA PRO A 22 2.426 -19.237 4.597 1.00 0.00 C ATOM 400 C PRO A 22 1.545 -20.478 4.531 1.00 0.00 C ATOM 401 O PRO A 22 1.987 -21.542 4.098 1.00 0.00 O ATOM 402 CB PRO A 22 2.737 -18.876 6.057 1.00 0.00 C ATOM 403 CG PRO A 22 1.873 -17.701 6.367 1.00 0.00 C ATOM 404 CD PRO A 22 1.702 -16.963 5.071 1.00 0.00 C ATOM 0 HA PRO A 22 3.311 -19.487 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.519 -19.711 6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.792 -18.633 6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.910 -18.019 6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.335 -17.064 7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.755 -16.425 5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.492 -16.229 4.916 1.00 0.00 H new ATOM 412 N ALA A 23 0.300 -20.336 4.963 1.00 0.00 N ATOM 413 CA ALA A 23 -0.640 -21.449 4.955 1.00 0.00 C ATOM 414 C ALA A 23 -0.769 -22.054 3.565 1.00 0.00 C ATOM 415 O ALA A 23 -0.502 -23.237 3.363 1.00 0.00 O ATOM 416 CB ALA A 23 -2.000 -20.996 5.464 1.00 0.00 C ATOM 0 H ALA A 23 -0.083 -19.462 5.323 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.253 -22.220 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.692 -21.838 5.452 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.901 -20.622 6.483 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.383 -20.203 4.822 1.00 0.00 H new ATOM 422 N ASP A 24 -1.174 -21.229 2.609 1.00 0.00 N ATOM 423 CA ASP A 24 -1.336 -21.675 1.230 1.00 0.00 C ATOM 424 C ASP A 24 0.014 -22.042 0.620 1.00 0.00 C ATOM 425 O ASP A 24 0.111 -22.941 -0.219 1.00 0.00 O ATOM 426 CB ASP A 24 -2.006 -20.583 0.396 1.00 0.00 C ATOM 427 CG ASP A 24 -3.513 -20.748 0.330 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.974 -21.864 0.013 1.00 0.00 O ATOM 429 OD2 ASP A 24 -4.230 -19.760 0.593 1.00 0.00 O ATOM 0 H ASP A 24 -1.397 -20.246 2.763 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.970 -22.562 1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.768 -19.608 0.821 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.597 -20.599 -0.614 1.00 0.00 H new ATOM 434 N GLN A 25 1.050 -21.330 1.054 1.00 0.00 N ATOM 435 CA GLN A 25 2.407 -21.549 0.568 1.00 0.00 C ATOM 436 C GLN A 25 2.797 -23.025 0.643 1.00 0.00 C ATOM 437 O GLN A 25 3.276 -23.598 -0.335 1.00 0.00 O ATOM 438 CB GLN A 25 3.388 -20.687 1.381 1.00 0.00 C ATOM 439 CG GLN A 25 4.791 -21.266 1.504 1.00 0.00 C ATOM 440 CD GLN A 25 5.863 -20.196 1.508 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.677 -20.117 2.429 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.872 -19.364 0.473 1.00 0.00 N ATOM 0 H GLN A 25 0.972 -20.588 1.750 1.00 0.00 H new ATOM 0 HA GLN A 25 2.451 -21.255 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.455 -19.702 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.980 -20.542 2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.861 -21.849 2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.971 -21.953 0.677 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.179 -19.465 -0.269 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.572 -18.624 0.420 1.00 0.00 H new ATOM 451 N TYR A 26 2.605 -23.624 1.809 1.00 0.00 N ATOM 452 CA TYR A 26 2.956 -25.027 2.010 1.00 0.00 C ATOM 453 C TYR A 26 1.727 -25.935 1.998 1.00 0.00 C ATOM 454 O TYR A 26 1.853 -27.154 2.121 1.00 0.00 O ATOM 455 CB TYR A 26 3.720 -25.203 3.324 1.00 0.00 C ATOM 456 CG TYR A 26 3.155 -24.402 4.472 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.885 -24.665 4.969 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.890 -23.381 5.059 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.366 -23.936 6.019 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.379 -22.646 6.111 1.00 0.00 C ATOM 461 CZ TYR A 26 2.116 -22.927 6.587 1.00 0.00 C ATOM 462 OH TYR A 26 1.601 -22.198 7.635 1.00 0.00 O ATOM 0 H TYR A 26 2.210 -23.165 2.629 1.00 0.00 H new ATOM 0 HA TYR A 26 3.594 -25.321 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.719 -26.259 3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.760 -24.915 3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.294 -25.453 4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.879 -23.157 4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.377 -24.154 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.965 -21.856 6.558 1.00 0.00 H new ATOM 0 HH TYR A 26 2.256 -21.527 7.920 1.00 0.00 H new ATOM 472 N LYS A 27 0.540 -25.351 1.847 1.00 0.00 N ATOM 473 CA LYS A 27 -0.686 -26.141 1.820 1.00 0.00 C ATOM 474 C LYS A 27 -0.871 -26.813 0.466 1.00 0.00 C ATOM 475 O LYS A 27 -1.292 -27.967 0.390 1.00 0.00 O ATOM 476 CB LYS A 27 -1.900 -25.269 2.141 1.00 0.00 C ATOM 477 CG LYS A 27 -2.291 -25.293 3.611 1.00 0.00 C ATOM 478 CD LYS A 27 -3.248 -24.163 3.952 1.00 0.00 C ATOM 479 CE LYS A 27 -4.638 -24.424 3.396 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.327 -25.531 4.114 1.00 0.00 N ATOM 0 H LYS A 27 0.403 -24.346 1.743 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.599 -26.915 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.688 -24.241 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.747 -25.604 1.542 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.756 -26.249 3.849 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.396 -25.212 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.304 -24.046 5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.864 -23.226 3.550 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.235 -23.515 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.564 -24.669 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.342 -25.513 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.922 -26.442 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.199 -25.413 5.139 1.00 0.00 H new ATOM 494 N ASP A 28 -0.554 -26.089 -0.602 1.00 0.00 N ATOM 495 CA ASP A 28 -0.690 -26.635 -1.949 1.00 0.00 C ATOM 496 C ASP A 28 -0.102 -25.690 -2.997 1.00 0.00 C ATOM 497 O ASP A 28 -0.208 -24.471 -2.876 1.00 0.00 O ATOM 498 CB ASP A 28 -2.163 -26.907 -2.260 1.00 0.00 C ATOM 499 CG ASP A 28 -2.390 -28.303 -2.809 1.00 0.00 C ATOM 500 OD1 ASP A 28 -2.066 -29.278 -2.099 1.00 0.00 O ATOM 501 OD2 ASP A 28 -2.889 -28.421 -3.947 1.00 0.00 O ATOM 0 H ASP A 28 -0.204 -25.132 -0.564 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.133 -27.571 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.753 -26.776 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.521 -26.173 -2.982 1.00 0.00 H new ATOM 506 N PRO A 29 0.525 -26.248 -4.050 1.00 0.00 N ATOM 507 CA PRO A 29 1.126 -25.457 -5.126 1.00 0.00 C ATOM 508 C PRO A 29 0.077 -24.832 -6.040 1.00 0.00 C ATOM 509 O PRO A 29 0.337 -23.833 -6.711 1.00 0.00 O ATOM 510 CB PRO A 29 1.962 -26.479 -5.892 1.00 0.00 C ATOM 511 CG PRO A 29 1.264 -27.770 -5.665 1.00 0.00 C ATOM 512 CD PRO A 29 0.692 -27.697 -4.275 1.00 0.00 C ATOM 0 HA PRO A 29 1.704 -24.617 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.013 -26.236 -6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.987 -26.511 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.476 -27.922 -6.403 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.955 -28.608 -5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.258 -28.227 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.363 -28.143 -3.541 1.00 0.00 H new ATOM 520 N GLN A 30 -1.114 -25.425 -6.055 1.00 0.00 N ATOM 521 CA GLN A 30 -2.209 -24.928 -6.878 1.00 0.00 C ATOM 522 C GLN A 30 -2.942 -23.807 -6.153 1.00 0.00 C ATOM 523 O GLN A 30 -3.381 -22.836 -6.768 1.00 0.00 O ATOM 524 CB GLN A 30 -3.181 -26.062 -7.217 1.00 0.00 C ATOM 525 CG GLN A 30 -2.972 -26.648 -8.604 1.00 0.00 C ATOM 526 CD GLN A 30 -4.272 -27.077 -9.257 1.00 0.00 C ATOM 527 OE1 GLN A 30 -5.252 -27.378 -8.576 1.00 0.00 O ATOM 528 NE2 GLN A 30 -4.284 -27.106 -10.585 1.00 0.00 N ATOM 0 H GLN A 30 -1.344 -26.252 -5.504 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.796 -24.536 -7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.074 -26.855 -6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.202 -25.689 -7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.478 -25.910 -9.236 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.304 -27.506 -8.535 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.447 -26.848 -11.108 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.130 -27.386 -11.081 1.00 0.00 H new ATOM 537 N ASN A 31 -3.052 -23.947 -4.836 1.00 0.00 N ATOM 538 CA ASN A 31 -3.709 -22.945 -4.011 1.00 0.00 C ATOM 539 C ASN A 31 -2.678 -21.974 -3.451 1.00 0.00 C ATOM 540 O ASN A 31 -2.735 -21.591 -2.281 1.00 0.00 O ATOM 541 CB ASN A 31 -4.480 -23.613 -2.870 1.00 0.00 C ATOM 542 CG ASN A 31 -5.684 -24.391 -3.362 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.787 -25.599 -3.150 1.00 0.00 O ATOM 544 ND2 ASN A 31 -6.606 -23.699 -4.023 1.00 0.00 N ATOM 0 H ASN A 31 -2.693 -24.748 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.417 -22.393 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.813 -24.285 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.808 -22.852 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.440 -24.168 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.480 -22.698 -4.176 1.00 0.00 H new ATOM 551 N LYS A 32 -1.731 -21.587 -4.299 1.00 0.00 N ATOM 552 CA LYS A 32 -0.671 -20.669 -3.909 1.00 0.00 C ATOM 553 C LYS A 32 -1.163 -19.228 -3.947 1.00 0.00 C ATOM 554 O LYS A 32 -0.631 -18.393 -4.679 1.00 0.00 O ATOM 555 CB LYS A 32 0.536 -20.843 -4.831 1.00 0.00 C ATOM 556 CG LYS A 32 1.437 -22.003 -4.442 1.00 0.00 C ATOM 557 CD LYS A 32 1.858 -21.918 -2.983 1.00 0.00 C ATOM 558 CE LYS A 32 3.329 -22.261 -2.807 1.00 0.00 C ATOM 559 NZ LYS A 32 3.583 -23.717 -2.969 1.00 0.00 N ATOM 0 H LYS A 32 -1.678 -21.899 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.372 -20.899 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.184 -20.994 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.121 -19.923 -4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.916 -22.944 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.323 -22.006 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.670 -20.912 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.251 -22.600 -2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.921 -21.706 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.660 -21.943 -1.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.962 -24.104 -2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.693 -24.200 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.272 -23.866 -3.734 1.00 0.00 H new ATOM 573 N LYS A 33 -2.186 -18.950 -3.151 1.00 0.00 N ATOM 574 CA LYS A 33 -2.764 -17.615 -3.081 1.00 0.00 C ATOM 575 C LYS A 33 -1.703 -16.579 -2.724 1.00 0.00 C ATOM 576 O LYS A 33 -1.408 -16.355 -1.551 1.00 0.00 O ATOM 577 CB LYS A 33 -3.896 -17.580 -2.051 1.00 0.00 C ATOM 578 CG LYS A 33 -5.274 -17.798 -2.655 1.00 0.00 C ATOM 579 CD LYS A 33 -5.382 -19.159 -3.326 1.00 0.00 C ATOM 580 CE LYS A 33 -5.953 -19.049 -4.732 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.206 -19.893 -5.706 1.00 0.00 N ATOM 0 H LYS A 33 -2.635 -19.634 -2.542 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.168 -17.370 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.714 -18.345 -1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.881 -16.618 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.031 -17.715 -1.875 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.480 -17.015 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.397 -19.623 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.016 -19.812 -2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.001 -19.348 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.922 -18.009 -5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.344 -19.520 -6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.193 -19.879 -5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.559 -20.870 -5.660 1.00 0.00 H new ATOM 595 N LYS A 34 -1.131 -15.952 -3.747 1.00 0.00 N ATOM 596 CA LYS A 34 -0.100 -14.940 -3.548 1.00 0.00 C ATOM 597 C LYS A 34 -0.601 -13.821 -2.640 1.00 0.00 C ATOM 598 O LYS A 34 -1.664 -13.929 -2.032 1.00 0.00 O ATOM 599 CB LYS A 34 0.340 -14.362 -4.894 1.00 0.00 C ATOM 600 CG LYS A 34 1.830 -14.067 -4.973 1.00 0.00 C ATOM 601 CD LYS A 34 2.553 -15.064 -5.864 1.00 0.00 C ATOM 602 CE LYS A 34 4.060 -14.981 -5.685 1.00 0.00 C ATOM 603 NZ LYS A 34 4.634 -13.784 -6.362 1.00 0.00 N ATOM 0 H LYS A 34 -1.365 -16.128 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 34 0.754 -15.417 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.075 -15.063 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.214 -13.443 -5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.982 -13.058 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.260 -14.095 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.213 -16.073 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.298 -14.873 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.298 -14.946 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.524 -15.882 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.664 -13.763 -6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.429 -13.830 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.211 -12.922 -5.962 1.00 0.00 H new ATOM 617 N GLY A 35 0.177 -12.748 -2.554 1.00 0.00 N ATOM 618 CA GLY A 35 -0.198 -11.623 -1.721 1.00 0.00 C ATOM 619 C GLY A 35 0.694 -10.419 -1.948 1.00 0.00 C ATOM 620 O GLY A 35 1.860 -10.420 -1.553 1.00 0.00 O ATOM 0 H GLY A 35 1.063 -12.638 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.233 -11.350 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.148 -11.917 -0.673 1.00 0.00 H new ATOM 624 N TRP A 36 0.146 -9.391 -2.586 1.00 0.00 N ATOM 625 CA TRP A 36 0.902 -8.177 -2.864 1.00 0.00 C ATOM 626 C TRP A 36 0.612 -7.111 -1.816 1.00 0.00 C ATOM 627 O TRP A 36 -0.544 -6.844 -1.491 1.00 0.00 O ATOM 628 CB TRP A 36 0.563 -7.645 -4.258 1.00 0.00 C ATOM 629 CG TRP A 36 0.991 -8.561 -5.361 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.252 -8.706 -5.862 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.156 -9.458 -6.104 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.254 -9.641 -6.869 1.00 0.00 N ATOM 633 CE2 TRP A 36 0.980 -10.116 -7.036 1.00 0.00 C ATOM 634 CE3 TRP A 36 -1.206 -9.768 -6.069 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.484 -11.066 -7.926 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.697 -10.711 -6.952 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.852 -11.351 -7.870 1.00 0.00 C ATOM 0 H TRP A 36 -0.818 -9.375 -2.920 1.00 0.00 H new ATOM 0 HA TRP A 36 1.964 -8.422 -2.827 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.513 -7.484 -4.326 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.040 -6.675 -4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.121 -8.165 -5.518 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.071 -9.934 -7.405 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.863 -9.280 -5.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.132 -11.560 -8.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.748 -10.959 -6.935 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.265 -12.084 -8.547 1.00 0.00 H new ATOM 648 N TRP A 37 1.670 -6.511 -1.282 1.00 0.00 N ATOM 649 CA TRP A 37 1.527 -5.481 -0.262 1.00 0.00 C ATOM 650 C TRP A 37 2.156 -4.166 -0.713 1.00 0.00 C ATOM 651 O TRP A 37 3.365 -4.089 -0.931 1.00 0.00 O ATOM 652 CB TRP A 37 2.177 -5.954 1.040 1.00 0.00 C ATOM 653 CG TRP A 37 1.906 -5.064 2.216 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.690 -4.760 2.756 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.881 -4.370 3.002 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.850 -3.922 3.836 1.00 0.00 N ATOM 657 CE2 TRP A 37 2.188 -3.668 4.005 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.273 -4.279 2.954 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.844 -2.883 4.955 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.923 -3.500 3.892 1.00 0.00 C ATOM 661 CH2 TRP A 37 4.209 -2.813 4.882 1.00 0.00 C ATOM 0 H TRP A 37 2.635 -6.720 -1.539 1.00 0.00 H new ATOM 0 HA TRP A 37 0.464 -5.305 -0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.820 -6.958 1.268 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.255 -6.024 0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.259 -5.124 2.390 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.097 -3.551 4.416 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.832 -4.808 2.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.295 -2.351 5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.000 -3.419 3.861 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.747 -2.215 5.603 1.00 0.00 H new ATOM 672 N TYR A 38 1.329 -3.133 -0.836 1.00 0.00 N ATOM 673 CA TYR A 38 1.805 -1.815 -1.246 1.00 0.00 C ATOM 674 C TYR A 38 1.502 -0.787 -0.165 1.00 0.00 C ATOM 675 O TYR A 38 0.503 -0.896 0.545 1.00 0.00 O ATOM 676 CB TYR A 38 1.155 -1.370 -2.560 1.00 0.00 C ATOM 677 CG TYR A 38 0.799 -2.501 -3.497 1.00 0.00 C ATOM 678 CD1 TYR A 38 1.783 -3.303 -4.056 1.00 0.00 C ATOM 679 CD2 TYR A 38 -0.525 -2.758 -3.827 1.00 0.00 C ATOM 680 CE1 TYR A 38 1.458 -4.334 -4.918 1.00 0.00 C ATOM 681 CE2 TYR A 38 -0.858 -3.786 -4.687 1.00 0.00 C ATOM 682 CZ TYR A 38 0.136 -4.570 -5.230 1.00 0.00 C ATOM 683 OH TYR A 38 -0.192 -5.595 -6.088 1.00 0.00 O ATOM 0 H TYR A 38 0.326 -3.182 -0.658 1.00 0.00 H new ATOM 0 HA TYR A 38 2.882 -1.887 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.251 -0.806 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.833 -0.689 -3.074 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.819 -3.119 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.307 -2.144 -3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.235 -4.951 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.893 -3.974 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 38 0.611 -5.893 -6.564 1.00 0.00 H new ATOM 693 N ALA A 39 2.366 0.213 -0.043 1.00 0.00 N ATOM 694 CA ALA A 39 2.175 1.256 0.954 1.00 0.00 C ATOM 695 C ALA A 39 3.148 2.406 0.757 1.00 0.00 C ATOM 696 O ALA A 39 4.366 2.217 0.743 1.00 0.00 O ATOM 697 CB ALA A 39 2.319 0.674 2.354 1.00 0.00 C ATOM 0 H ALA A 39 3.201 0.323 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 39 1.167 1.654 0.832 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.174 1.463 3.092 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.571 -0.105 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.315 0.247 2.470 1.00 0.00 H new ATOM 703 N HIS A 40 2.596 3.605 0.628 1.00 0.00 N ATOM 704 CA HIS A 40 3.403 4.801 0.465 1.00 0.00 C ATOM 705 C HIS A 40 3.644 5.419 1.832 1.00 0.00 C ATOM 706 O HIS A 40 2.730 5.997 2.434 1.00 0.00 O ATOM 707 CB HIS A 40 2.709 5.802 -0.464 1.00 0.00 C ATOM 708 CG HIS A 40 3.351 7.157 -0.482 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.737 8.274 -1.005 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.557 7.572 -0.026 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.537 9.317 -0.872 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.648 8.918 -0.279 1.00 0.00 N ATOM 0 H HIS A 40 1.590 3.773 0.633 1.00 0.00 H new ATOM 0 HA HIS A 40 4.357 4.536 0.010 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.703 5.400 -1.477 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.668 5.907 -0.157 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.809 8.293 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.308 6.958 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.320 10.325 -1.194 1.00 0.00 H new ATOM 721 N PHE A 41 4.862 5.266 2.335 1.00 0.00 N ATOM 722 CA PHE A 41 5.200 5.786 3.646 1.00 0.00 C ATOM 723 C PHE A 41 5.623 7.252 3.578 1.00 0.00 C ATOM 724 O PHE A 41 6.435 7.636 2.736 1.00 0.00 O ATOM 725 CB PHE A 41 6.322 4.969 4.295 1.00 0.00 C ATOM 726 CG PHE A 41 5.944 3.568 4.686 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.427 2.682 3.756 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.125 3.136 5.992 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.093 1.391 4.123 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.791 1.849 6.363 1.00 0.00 C ATOM 731 CZ PHE A 41 5.274 0.976 5.427 1.00 0.00 C ATOM 0 H PHE A 41 5.626 4.789 1.856 1.00 0.00 H new ATOM 0 HA PHE A 41 4.299 5.707 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.163 4.923 3.604 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.668 5.497 5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.283 3.002 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.532 3.815 6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.691 0.708 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.934 1.526 7.384 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.011 -0.031 5.715 1.00 0.00 H new ATOM 741 N ASP A 42 5.087 8.058 4.489 1.00 0.00 N ATOM 742 CA ASP A 42 5.427 9.473 4.560 1.00 0.00 C ATOM 743 C ASP A 42 6.500 9.679 5.621 1.00 0.00 C ATOM 744 O ASP A 42 6.309 9.324 6.788 1.00 0.00 O ATOM 745 CB ASP A 42 4.188 10.309 4.892 1.00 0.00 C ATOM 746 CG ASP A 42 4.316 11.744 4.418 1.00 0.00 C ATOM 747 OD1 ASP A 42 4.869 12.571 5.171 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.863 12.038 3.292 1.00 0.00 O ATOM 0 H ASP A 42 4.413 7.753 5.191 1.00 0.00 H new ATOM 0 HA ASP A 42 5.806 9.798 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.311 9.854 4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.024 10.298 5.969 1.00 0.00 H new ATOM 753 N GLY A 43 7.643 10.220 5.215 1.00 0.00 N ATOM 754 CA GLY A 43 8.723 10.414 6.161 1.00 0.00 C ATOM 755 C GLY A 43 9.115 9.102 6.810 1.00 0.00 C ATOM 756 O GLY A 43 9.174 8.074 6.135 1.00 0.00 O ATOM 0 H GLY A 43 7.839 10.524 4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.585 10.844 5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.417 11.126 6.927 1.00 0.00 H new ATOM 760 N PRO A 44 9.380 9.091 8.122 1.00 0.00 N ATOM 761 CA PRO A 44 9.749 7.870 8.835 1.00 0.00 C ATOM 762 C PRO A 44 8.560 6.924 9.009 1.00 0.00 C ATOM 763 O PRO A 44 8.732 5.737 9.286 1.00 0.00 O ATOM 764 CB PRO A 44 10.237 8.374 10.205 1.00 0.00 C ATOM 765 CG PRO A 44 10.310 9.865 10.091 1.00 0.00 C ATOM 766 CD PRO A 44 9.334 10.249 9.019 1.00 0.00 C ATOM 0 HA PRO A 44 10.500 7.297 8.292 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.551 8.076 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.212 7.953 10.452 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.056 10.341 11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.319 10.187 9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.334 10.413 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.628 11.168 8.512 1.00 0.00 H new ATOM 774 N TRP A 45 7.350 7.464 8.865 1.00 0.00 N ATOM 775 CA TRP A 45 6.128 6.682 9.027 1.00 0.00 C ATOM 776 C TRP A 45 5.370 6.562 7.712 1.00 0.00 C ATOM 777 O TRP A 45 5.897 6.902 6.653 1.00 0.00 O ATOM 778 CB TRP A 45 5.261 7.342 10.094 1.00 0.00 C ATOM 779 CG TRP A 45 6.087 8.067 11.108 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.670 9.291 10.966 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.458 7.593 12.401 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.376 9.609 12.100 1.00 0.00 N ATOM 783 CE2 TRP A 45 7.256 8.583 13.000 1.00 0.00 C ATOM 784 CE3 TRP A 45 6.183 6.428 13.107 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.783 8.439 14.281 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.705 6.280 14.379 1.00 0.00 C ATOM 787 CH2 TRP A 45 7.496 7.282 14.955 1.00 0.00 C ATOM 0 H TRP A 45 7.191 8.445 8.635 1.00 0.00 H new ATOM 0 HA TRP A 45 6.389 5.671 9.340 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.570 8.040 9.621 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.657 6.584 10.592 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.589 9.918 10.091 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.904 10.469 12.248 1.00 0.00 H new ATOM 0 HE3 TRP A 45 5.572 5.652 12.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 8.395 9.210 14.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.500 5.378 14.937 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.888 7.139 15.951 1.00 0.00 H new ATOM 798 N ILE A 46 4.137 6.063 7.771 1.00 0.00 N ATOM 799 CA ILE A 46 3.343 5.894 6.562 1.00 0.00 C ATOM 800 C ILE A 46 2.065 6.723 6.579 1.00 0.00 C ATOM 801 O ILE A 46 1.563 7.101 7.638 1.00 0.00 O ATOM 802 CB ILE A 46 3.003 4.409 6.316 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.017 4.250 5.155 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.451 3.775 7.576 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.803 2.812 4.742 1.00 0.00 C ATOM 0 H ILE A 46 3.673 5.773 8.632 1.00 0.00 H new ATOM 0 HA ILE A 46 3.962 6.258 5.741 1.00 0.00 H new ATOM 0 HB ILE A 46 3.924 3.895 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.059 4.685 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.382 4.816 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.217 2.728 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.193 3.841 8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.545 4.299 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.094 2.773 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.752 2.379 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.409 2.246 5.586 1.00 0.00 H new ATOM 817 N ALA A 47 1.554 7.008 5.382 1.00 0.00 N ATOM 818 CA ALA A 47 0.343 7.799 5.229 1.00 0.00 C ATOM 819 C ALA A 47 -0.758 7.017 4.513 1.00 0.00 C ATOM 820 O ALA A 47 -1.937 7.168 4.838 1.00 0.00 O ATOM 821 CB ALA A 47 0.649 9.085 4.477 1.00 0.00 C ATOM 0 H ALA A 47 1.966 6.699 4.502 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.022 8.043 6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.265 9.669 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.386 9.665 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.045 8.844 3.491 1.00 0.00 H new ATOM 827 N ARG A 48 -0.389 6.186 3.533 1.00 0.00 N ATOM 828 CA ARG A 48 -1.389 5.411 2.802 1.00 0.00 C ATOM 829 C ARG A 48 -0.900 3.994 2.523 1.00 0.00 C ATOM 830 O ARG A 48 0.302 3.747 2.440 1.00 0.00 O ATOM 831 CB ARG A 48 -1.752 6.110 1.490 1.00 0.00 C ATOM 832 CG ARG A 48 -0.611 6.156 0.489 1.00 0.00 C ATOM 833 CD ARG A 48 -1.024 6.845 -0.802 1.00 0.00 C ATOM 834 NE ARG A 48 -0.803 8.288 -0.745 1.00 0.00 N ATOM 835 CZ ARG A 48 -0.595 9.051 -1.817 1.00 0.00 C ATOM 836 NH1 ARG A 48 -0.591 8.521 -3.033 1.00 0.00 N ATOM 837 NH2 ARG A 48 -0.397 10.355 -1.669 1.00 0.00 N ATOM 0 H ARG A 48 0.575 6.036 3.234 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.279 5.344 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.601 5.597 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.074 7.128 1.708 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.237 6.682 0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.278 5.142 0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.460 6.424 -1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.078 6.647 -0.998 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.808 8.738 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.748 7.520 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.431 9.114 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.404 10.769 -0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.237 10.943 -2.487 1.00 0.00 H new ATOM 851 N GLN A 49 -1.843 3.067 2.381 1.00 0.00 N ATOM 852 CA GLN A 49 -1.507 1.674 2.115 1.00 0.00 C ATOM 853 C GLN A 49 -2.554 1.012 1.225 1.00 0.00 C ATOM 854 O GLN A 49 -3.718 1.414 1.209 1.00 0.00 O ATOM 855 CB GLN A 49 -1.377 0.900 3.429 1.00 0.00 C ATOM 856 CG GLN A 49 -1.085 -0.580 3.241 1.00 0.00 C ATOM 857 CD GLN A 49 -0.903 -1.312 4.556 1.00 0.00 C ATOM 858 OE1 GLN A 49 -1.831 -1.940 5.064 1.00 0.00 O ATOM 859 NE2 GLN A 49 0.299 -1.234 5.115 1.00 0.00 N ATOM 0 H GLN A 49 -2.843 3.256 2.446 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.552 1.656 1.590 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.581 1.345 4.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.300 1.010 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.902 -1.039 2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.184 -0.695 2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.040 -0.702 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.481 -1.706 6.001 1.00 0.00 H new ATOM 868 N MET A 50 -2.129 -0.009 0.489 1.00 0.00 N ATOM 869 CA MET A 50 -3.021 -0.741 -0.403 1.00 0.00 C ATOM 870 C MET A 50 -2.692 -2.230 -0.386 1.00 0.00 C ATOM 871 O MET A 50 -1.634 -2.648 -0.855 1.00 0.00 O ATOM 872 CB MET A 50 -2.913 -0.199 -1.832 1.00 0.00 C ATOM 873 CG MET A 50 -3.761 -0.963 -2.837 1.00 0.00 C ATOM 874 SD MET A 50 -3.782 -0.187 -4.466 1.00 0.00 S ATOM 875 CE MET A 50 -2.063 0.281 -4.645 1.00 0.00 C ATOM 0 H MET A 50 -1.168 -0.350 0.493 1.00 0.00 H new ATOM 0 HA MET A 50 -4.043 -0.604 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.213 0.849 -1.838 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.870 -0.234 -2.147 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.380 -1.980 -2.929 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.782 -1.038 -2.462 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.987 1.366 -4.713 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.499 -0.069 -3.781 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.656 -0.169 -5.550 1.00 0.00 H new ATOM 885 N GLU A 51 -3.604 -3.025 0.160 1.00 0.00 N ATOM 886 CA GLU A 51 -3.405 -4.470 0.240 1.00 0.00 C ATOM 887 C GLU A 51 -4.071 -5.179 -0.937 1.00 0.00 C ATOM 888 O GLU A 51 -5.260 -4.992 -1.198 1.00 0.00 O ATOM 889 CB GLU A 51 -3.956 -5.010 1.563 1.00 0.00 C ATOM 890 CG GLU A 51 -2.948 -5.828 2.356 1.00 0.00 C ATOM 891 CD GLU A 51 -2.277 -6.901 1.519 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.972 -7.532 0.696 1.00 0.00 O ATOM 893 OE2 GLU A 51 -1.058 -7.110 1.689 1.00 0.00 O ATOM 0 H GLU A 51 -4.486 -2.697 0.553 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.334 -4.668 0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.293 -4.173 2.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.830 -5.627 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.187 -5.163 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.451 -6.295 3.203 1.00 0.00 H new ATOM 900 N LEU A 52 -3.293 -5.993 -1.646 1.00 0.00 N ATOM 901 CA LEU A 52 -3.800 -6.734 -2.798 1.00 0.00 C ATOM 902 C LEU A 52 -3.575 -8.234 -2.619 1.00 0.00 C ATOM 903 O LEU A 52 -2.436 -8.699 -2.597 1.00 0.00 O ATOM 904 CB LEU A 52 -3.108 -6.251 -4.078 1.00 0.00 C ATOM 905 CG LEU A 52 -4.009 -5.499 -5.059 1.00 0.00 C ATOM 906 CD1 LEU A 52 -4.399 -4.142 -4.494 1.00 0.00 C ATOM 907 CD2 LEU A 52 -3.316 -5.340 -6.407 1.00 0.00 C ATOM 0 H LEU A 52 -2.307 -6.156 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.872 -6.553 -2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.278 -5.602 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.681 -7.114 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.918 -6.082 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.040 -3.622 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.936 -4.279 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.501 -3.551 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.972 -4.803 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.390 -4.780 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.090 -6.324 -6.818 1.00 0.00 H new ATOM 919 N HIS A 53 -4.665 -8.988 -2.491 1.00 0.00 N ATOM 920 CA HIS A 53 -4.569 -10.432 -2.315 1.00 0.00 C ATOM 921 C HIS A 53 -5.563 -11.161 -3.220 1.00 0.00 C ATOM 922 O HIS A 53 -6.723 -10.766 -3.324 1.00 0.00 O ATOM 923 CB HIS A 53 -4.824 -10.801 -0.853 1.00 0.00 C ATOM 924 CG HIS A 53 -3.573 -11.071 -0.076 1.00 0.00 C ATOM 925 ND1 HIS A 53 -3.376 -12.217 0.663 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.449 -10.330 0.077 1.00 0.00 C ATOM 927 CE1 HIS A 53 -2.186 -12.171 1.237 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.605 -11.036 0.897 1.00 0.00 N ATOM 0 H HIS A 53 -5.618 -8.624 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.562 -10.743 -2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.372 -9.991 -0.373 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.462 -11.684 -0.816 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.254 -9.364 -0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.762 -12.932 1.875 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.678 -10.732 1.196 1.00 0.00 H new ATOM 937 N PRO A 54 -5.123 -12.242 -3.892 1.00 0.00 N ATOM 938 CA PRO A 54 -5.986 -13.018 -4.788 1.00 0.00 C ATOM 939 C PRO A 54 -7.282 -13.453 -4.111 1.00 0.00 C ATOM 940 O PRO A 54 -8.306 -13.636 -4.768 1.00 0.00 O ATOM 941 CB PRO A 54 -5.131 -14.238 -5.141 1.00 0.00 C ATOM 942 CG PRO A 54 -3.726 -13.782 -4.960 1.00 0.00 C ATOM 943 CD PRO A 54 -3.755 -12.790 -3.830 1.00 0.00 C ATOM 0 HA PRO A 54 -6.299 -12.437 -5.655 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.360 -15.083 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.312 -14.565 -6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.071 -14.621 -4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.344 -13.324 -5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.557 -13.268 -2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.004 -12.011 -3.960 1.00 0.00 H new ATOM 951 N ASP A 55 -7.227 -13.615 -2.793 1.00 0.00 N ATOM 952 CA ASP A 55 -8.399 -14.029 -2.028 1.00 0.00 C ATOM 953 C ASP A 55 -9.033 -12.841 -1.304 1.00 0.00 C ATOM 954 O ASP A 55 -10.201 -12.893 -0.919 1.00 0.00 O ATOM 955 CB ASP A 55 -8.031 -15.123 -1.019 1.00 0.00 C ATOM 956 CG ASP A 55 -6.706 -14.865 -0.327 1.00 0.00 C ATOM 957 OD1 ASP A 55 -6.184 -13.736 -0.442 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.190 -15.792 0.331 1.00 0.00 O ATOM 0 H ASP A 55 -6.387 -13.467 -2.234 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.127 -14.431 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.818 -15.198 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.986 -16.084 -1.532 1.00 0.00 H new ATOM 963 N LYS A 56 -8.262 -11.771 -1.127 1.00 0.00 N ATOM 964 CA LYS A 56 -8.762 -10.576 -0.455 1.00 0.00 C ATOM 965 C LYS A 56 -8.742 -9.376 -1.400 1.00 0.00 C ATOM 966 O LYS A 56 -7.690 -9.012 -1.931 1.00 0.00 O ATOM 967 CB LYS A 56 -7.929 -10.271 0.794 1.00 0.00 C ATOM 968 CG LYS A 56 -7.530 -11.507 1.582 1.00 0.00 C ATOM 969 CD LYS A 56 -8.725 -12.125 2.291 1.00 0.00 C ATOM 970 CE LYS A 56 -9.272 -11.203 3.369 1.00 0.00 C ATOM 971 NZ LYS A 56 -9.683 -11.955 4.586 1.00 0.00 N ATOM 0 H LYS A 56 -7.293 -11.707 -1.438 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.792 -10.766 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.028 -9.735 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.496 -9.605 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.085 -12.241 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.768 -11.242 2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.508 -12.342 1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.433 -13.075 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.514 -10.467 3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.127 -10.652 2.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.050 -11.291 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.425 -12.640 4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.862 -12.460 4.976 1.00 0.00 H new ATOM 985 N PRO A 57 -9.906 -8.737 -1.626 1.00 0.00 N ATOM 986 CA PRO A 57 -10.008 -7.576 -2.514 1.00 0.00 C ATOM 987 C PRO A 57 -9.006 -6.483 -2.153 1.00 0.00 C ATOM 988 O PRO A 57 -8.427 -6.496 -1.067 1.00 0.00 O ATOM 989 CB PRO A 57 -11.449 -7.075 -2.314 1.00 0.00 C ATOM 990 CG PRO A 57 -11.956 -7.784 -1.104 1.00 0.00 C ATOM 991 CD PRO A 57 -11.209 -9.083 -1.039 1.00 0.00 C ATOM 0 HA PRO A 57 -9.785 -7.841 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.472 -5.994 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.065 -7.297 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.786 -7.191 -0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -13.030 -7.955 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.109 -9.442 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.712 -9.868 -1.604 1.00 0.00 H new ATOM 999 N PRO A 58 -8.788 -5.521 -3.062 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.848 -4.419 -2.837 1.00 0.00 C ATOM 1001 C PRO A 58 -8.180 -3.620 -1.582 1.00 0.00 C ATOM 1002 O PRO A 58 -8.910 -2.630 -1.642 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.007 -3.542 -4.084 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.575 -4.446 -5.122 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.435 -5.433 -4.384 1.00 0.00 C ATOM 0 HA PRO A 58 -6.832 -4.783 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.669 -2.698 -3.891 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.049 -3.130 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.161 -3.885 -5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.783 -4.953 -5.673 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.466 -5.089 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.459 -6.400 -4.886 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.639 -4.050 -0.446 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.881 -3.363 0.815 1.00 0.00 C ATOM 1015 C ILE A 59 -7.188 -2.007 0.825 1.00 0.00 C ATOM 1016 O ILE A 59 -6.006 -1.898 1.154 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.396 -4.197 2.017 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.108 -5.548 2.037 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.636 -3.451 3.323 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.229 -6.683 2.509 1.00 0.00 C ATOM 0 H ILE A 59 -7.033 -4.867 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.958 -3.222 0.906 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.324 -4.364 1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.981 -5.481 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.472 -5.773 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.286 -4.058 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.092 -2.507 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.702 -3.254 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.798 -7.613 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.369 -6.777 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.885 -6.480 3.523 1.00 0.00 H new ATOM 1032 N LEU A 60 -7.936 -0.978 0.455 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.409 0.380 0.407 1.00 0.00 C ATOM 1034 C LEU A 60 -7.480 1.042 1.779 1.00 0.00 C ATOM 1035 O LEU A 60 -8.559 1.403 2.250 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.183 1.209 -0.618 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.402 0.523 -1.970 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -9.832 0.720 -2.446 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -7.417 1.050 -3.004 1.00 0.00 C ATOM 0 H LEU A 60 -8.916 -1.058 0.182 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.362 0.329 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.155 1.467 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.649 2.145 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.228 -0.545 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.967 0.225 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.520 0.291 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.036 1.785 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.589 0.551 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.558 2.124 -3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.398 0.853 -2.670 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.324 1.197 2.414 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.252 1.816 3.733 1.00 0.00 C ATOM 1053 C LEU A 61 -5.641 3.210 3.648 1.00 0.00 C ATOM 1054 O LEU A 61 -4.974 3.547 2.668 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.429 0.944 4.683 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.916 -0.499 4.822 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.851 -1.359 5.483 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.212 -0.547 5.618 1.00 0.00 C ATOM 0 H LEU A 61 -5.423 0.903 2.037 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.267 1.907 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.396 0.931 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.429 1.408 5.669 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.108 -0.897 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.215 -2.383 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.946 -1.348 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.628 -0.964 6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.546 -1.581 5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.044 -0.132 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.976 0.037 5.105 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.873 4.014 4.678 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.347 5.373 4.721 1.00 0.00 C ATOM 1072 C VAL A 62 -5.163 5.845 6.160 1.00 0.00 C ATOM 1073 O VAL A 62 -5.997 5.573 7.024 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.273 6.357 3.976 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.641 6.423 4.640 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.636 7.738 3.902 1.00 0.00 C ATOM 0 H VAL A 62 -6.422 3.749 5.495 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.377 5.356 4.224 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.413 5.992 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.276 7.123 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.099 5.434 4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.529 6.759 5.671 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.303 8.419 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.461 8.112 4.911 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.687 7.673 3.369 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.065 6.551 6.411 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.771 7.060 7.746 1.00 0.00 C ATOM 1088 C ALA A 63 -4.920 7.912 8.276 1.00 0.00 C ATOM 1089 O ALA A 63 -5.491 8.724 7.546 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.478 7.861 7.731 1.00 0.00 C ATOM 0 H ALA A 63 -3.364 6.784 5.707 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.650 6.208 8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.270 8.235 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.658 7.222 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.578 8.701 7.044 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.254 7.721 9.549 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.334 8.477 10.155 1.00 0.00 C ATOM 1098 C GLY A 64 -7.619 7.678 10.247 1.00 0.00 C ATOM 1099 O GLY A 64 -8.331 7.745 11.250 1.00 0.00 O ATOM 0 H GLY A 64 -4.795 7.056 10.171 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.035 8.795 11.154 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.512 9.381 9.573 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.917 6.917 9.198 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.126 6.103 9.164 1.00 0.00 C ATOM 1105 C LYS A 65 -8.801 4.636 9.432 1.00 0.00 C ATOM 1106 O LYS A 65 -9.608 3.907 10.011 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.821 6.244 7.809 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.335 6.133 7.888 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.810 4.738 7.511 1.00 0.00 C ATOM 1110 CE LYS A 65 -13.018 4.790 6.587 1.00 0.00 C ATOM 1111 NZ LYS A 65 -14.160 5.521 7.204 1.00 0.00 N ATOM 0 H LYS A 65 -7.338 6.848 8.361 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.796 6.457 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.558 7.208 7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.443 5.476 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.666 6.371 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.790 6.866 7.222 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.000 4.197 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.065 4.183 8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.739 5.276 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.329 3.775 6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.007 5.404 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -14.345 5.138 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.926 6.532 7.278 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.617 4.210 9.005 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.184 2.831 9.199 1.00 0.00 C ATOM 1127 C ASP A 66 -5.768 2.780 9.763 1.00 0.00 C ATOM 1128 O ASP A 66 -4.935 1.994 9.311 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.250 2.063 7.877 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.621 1.465 7.624 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.238 0.966 8.587 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.075 1.494 6.461 1.00 0.00 O ATOM 0 H ASP A 66 -6.940 4.800 8.522 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.857 2.362 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.992 2.733 7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.505 1.267 7.885 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.501 3.626 10.752 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.186 3.681 11.379 1.00 0.00 C ATOM 1139 C ASP A 67 -3.817 2.332 11.990 1.00 0.00 C ATOM 1140 O ASP A 67 -2.642 1.972 12.060 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.155 4.769 12.455 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.502 6.047 11.967 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.576 5.959 11.133 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.918 7.136 12.418 1.00 0.00 O ATOM 0 H ASP A 67 -6.179 4.284 11.137 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.454 3.922 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.173 4.985 12.778 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.616 4.399 13.327 1.00 0.00 H new ATOM 1149 N MET A 68 -4.828 1.591 12.433 1.00 0.00 N ATOM 1150 CA MET A 68 -4.609 0.283 13.039 1.00 0.00 C ATOM 1151 C MET A 68 -4.514 -0.806 11.975 1.00 0.00 C ATOM 1152 O MET A 68 -3.830 -1.811 12.161 1.00 0.00 O ATOM 1153 CB MET A 68 -5.737 -0.043 14.020 1.00 0.00 C ATOM 1154 CG MET A 68 -5.400 0.287 15.467 1.00 0.00 C ATOM 1155 SD MET A 68 -6.020 -0.950 16.624 1.00 0.00 S ATOM 1156 CE MET A 68 -4.742 -2.199 16.501 1.00 0.00 C ATOM 0 H MET A 68 -5.807 1.874 12.384 1.00 0.00 H new ATOM 0 HA MET A 68 -3.663 0.317 13.580 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.631 0.508 13.729 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.978 -1.103 13.944 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.318 0.370 15.574 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.821 1.260 15.721 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.983 -3.032 17.161 1.00 0.00 H new ATOM 0 HE2 MET A 68 -4.680 -2.556 15.473 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.784 -1.770 16.794 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.205 -0.599 10.858 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.197 -1.567 9.767 1.00 0.00 C ATOM 1168 C GLU A 69 -3.914 -1.456 8.948 1.00 0.00 C ATOM 1169 O GLU A 69 -3.189 -2.436 8.779 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.415 -1.359 8.862 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.532 -2.360 9.107 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.852 -1.918 8.507 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -9.041 -2.099 7.287 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.697 -1.390 9.261 1.00 0.00 O ATOM 0 H GLU A 69 -5.776 0.228 10.685 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.243 -2.566 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.802 -0.351 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.100 -1.427 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.250 -3.324 8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.655 -2.506 10.180 1.00 0.00 H new ATOM 1181 N MET A 70 -3.642 -0.258 8.444 1.00 0.00 N ATOM 1182 CA MET A 70 -2.446 -0.020 7.642 1.00 0.00 C ATOM 1183 C MET A 70 -1.184 -0.330 8.437 1.00 0.00 C ATOM 1184 O MET A 70 -1.252 -0.758 9.590 1.00 0.00 O ATOM 1185 CB MET A 70 -2.420 1.426 7.145 1.00 0.00 C ATOM 1186 CG MET A 70 -2.050 2.443 8.214 1.00 0.00 C ATOM 1187 SD MET A 70 -2.153 4.148 7.627 1.00 0.00 S ATOM 1188 CE MET A 70 -1.761 3.944 5.890 1.00 0.00 C ATOM 0 H MET A 70 -4.232 0.563 8.576 1.00 0.00 H new ATOM 0 HA MET A 70 -2.476 -0.688 6.781 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.709 1.504 6.323 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.401 1.678 6.742 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.712 2.319 9.071 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.036 2.244 8.562 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.628 4.923 5.429 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.841 3.368 5.790 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.575 3.416 5.393 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.031 -0.111 7.815 1.00 0.00 N ATOM 1199 CA CYS A 71 1.246 -0.368 8.467 1.00 0.00 C ATOM 1200 C CYS A 71 1.414 0.520 9.696 1.00 0.00 C ATOM 1201 O CYS A 71 1.432 1.746 9.590 1.00 0.00 O ATOM 1202 CB CYS A 71 2.400 -0.129 7.493 1.00 0.00 C ATOM 1203 SG CYS A 71 3.867 -1.123 7.843 1.00 0.00 S ATOM 0 H CYS A 71 0.045 0.243 6.862 1.00 0.00 H new ATOM 0 HA CYS A 71 1.259 -1.411 8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.059 -0.345 6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.673 0.926 7.519 1.00 0.00 H new ATOM 0 HG CYS A 71 3.957 -2.085 6.973 1.00 0.00 H new ATOM 1209 N GLU A 72 1.532 -0.107 10.863 1.00 0.00 N ATOM 1210 CA GLU A 72 1.695 0.630 12.112 1.00 0.00 C ATOM 1211 C GLU A 72 3.161 0.686 12.541 1.00 0.00 C ATOM 1212 O GLU A 72 3.477 1.162 13.631 1.00 0.00 O ATOM 1213 CB GLU A 72 0.855 -0.014 13.216 1.00 0.00 C ATOM 1214 CG GLU A 72 0.588 0.905 14.396 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.807 0.734 14.965 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.767 1.228 14.338 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -0.939 0.107 16.037 1.00 0.00 O ATOM 0 H GLU A 72 1.518 -1.121 10.970 1.00 0.00 H new ATOM 0 HA GLU A 72 1.353 1.651 11.944 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.097 -0.336 12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.364 -0.909 13.572 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.322 0.709 15.178 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.724 1.940 14.083 1.00 0.00 H new ATOM 1224 N LYS A 73 4.053 0.196 11.683 1.00 0.00 N ATOM 1225 CA LYS A 73 5.478 0.193 11.984 1.00 0.00 C ATOM 1226 C LYS A 73 6.201 1.311 11.235 1.00 0.00 C ATOM 1227 O LYS A 73 5.575 2.128 10.561 1.00 0.00 O ATOM 1228 CB LYS A 73 6.088 -1.163 11.621 1.00 0.00 C ATOM 1229 CG LYS A 73 5.721 -2.270 12.593 1.00 0.00 C ATOM 1230 CD LYS A 73 4.472 -3.012 12.147 1.00 0.00 C ATOM 1231 CE LYS A 73 4.435 -4.428 12.699 1.00 0.00 C ATOM 1232 NZ LYS A 73 3.151 -4.721 13.393 1.00 0.00 N ATOM 0 H LYS A 73 3.812 -0.203 10.776 1.00 0.00 H new ATOM 0 HA LYS A 73 5.600 0.367 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.759 -1.445 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.173 -1.067 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.551 -2.971 12.678 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.559 -1.846 13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.587 -2.468 12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.437 -3.044 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.578 -5.139 11.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.263 -4.568 13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.166 -5.696 13.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.026 -4.060 14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.362 -4.612 12.724 1.00 0.00 H new ATOM 1246 N ASN A 74 7.523 1.333 11.360 1.00 0.00 N ATOM 1247 CA ASN A 74 8.345 2.340 10.699 1.00 0.00 C ATOM 1248 C ASN A 74 9.149 1.706 9.568 1.00 0.00 C ATOM 1249 O ASN A 74 9.330 0.490 9.534 1.00 0.00 O ATOM 1250 CB ASN A 74 9.279 3.007 11.717 1.00 0.00 C ATOM 1251 CG ASN A 74 10.055 4.173 11.132 1.00 0.00 C ATOM 1252 OD1 ASN A 74 10.938 3.987 10.295 1.00 0.00 O ATOM 1253 ND2 ASN A 74 9.734 5.388 11.574 1.00 0.00 N ATOM 0 H ASN A 74 8.051 0.661 11.916 1.00 0.00 H new ATOM 0 HA ASN A 74 7.694 3.103 10.272 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.692 3.357 12.566 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.981 2.265 12.099 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.227 6.207 11.218 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.995 5.499 12.269 1.00 0.00 H new ATOM 1260 N LEU A 75 9.620 2.533 8.638 1.00 0.00 N ATOM 1261 CA LEU A 75 10.397 2.054 7.495 1.00 0.00 C ATOM 1262 C LEU A 75 11.443 1.017 7.907 1.00 0.00 C ATOM 1263 O LEU A 75 11.701 0.058 7.178 1.00 0.00 O ATOM 1264 CB LEU A 75 11.080 3.232 6.793 1.00 0.00 C ATOM 1265 CG LEU A 75 10.762 3.368 5.302 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.556 4.271 5.096 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.969 3.903 4.547 1.00 0.00 C ATOM 0 H LEU A 75 9.477 3.543 8.653 1.00 0.00 H new ATOM 0 HA LEU A 75 9.703 1.569 6.808 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.789 4.154 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.159 3.130 6.911 1.00 0.00 H new ATOM 0 HG LEU A 75 10.522 2.381 4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.344 4.357 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.691 3.845 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.767 5.259 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.725 3.993 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.240 4.882 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.808 3.217 4.669 1.00 0.00 H new ATOM 1279 N GLU A 76 12.049 1.218 9.071 1.00 0.00 N ATOM 1280 CA GLU A 76 13.072 0.302 9.570 1.00 0.00 C ATOM 1281 C GLU A 76 12.473 -1.036 9.997 1.00 0.00 C ATOM 1282 O GLU A 76 12.894 -2.094 9.529 1.00 0.00 O ATOM 1283 CB GLU A 76 13.816 0.932 10.751 1.00 0.00 C ATOM 1284 CG GLU A 76 14.131 2.407 10.558 1.00 0.00 C ATOM 1285 CD GLU A 76 15.619 2.694 10.584 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.342 2.014 11.342 1.00 0.00 O ATOM 1287 OE2 GLU A 76 16.063 3.601 9.849 1.00 0.00 O ATOM 0 H GLU A 76 11.851 2.006 9.688 1.00 0.00 H new ATOM 0 HA GLU A 76 13.770 0.116 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.215 0.813 11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.747 0.389 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.717 2.742 9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.640 2.985 11.341 1.00 0.00 H new ATOM 1294 N GLU A 77 11.506 -0.981 10.906 1.00 0.00 N ATOM 1295 CA GLU A 77 10.863 -2.187 11.423 1.00 0.00 C ATOM 1296 C GLU A 77 9.957 -2.851 10.387 1.00 0.00 C ATOM 1297 O GLU A 77 9.574 -4.010 10.547 1.00 0.00 O ATOM 1298 CB GLU A 77 10.052 -1.855 12.677 1.00 0.00 C ATOM 1299 CG GLU A 77 9.523 -3.080 13.401 1.00 0.00 C ATOM 1300 CD GLU A 77 9.331 -2.843 14.887 1.00 0.00 C ATOM 1301 OE1 GLU A 77 9.186 -1.669 15.287 1.00 0.00 O ATOM 1302 OE2 GLU A 77 9.326 -3.833 15.651 1.00 0.00 O ATOM 0 H GLU A 77 11.148 -0.112 11.302 1.00 0.00 H new ATOM 0 HA GLU A 77 11.656 -2.893 11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.676 -1.280 13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.213 -1.217 12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.572 -3.376 12.958 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.215 -3.910 13.256 1.00 0.00 H new ATOM 1309 N THR A 78 9.606 -2.122 9.334 1.00 0.00 N ATOM 1310 CA THR A 78 8.735 -2.665 8.296 1.00 0.00 C ATOM 1311 C THR A 78 9.407 -3.822 7.566 1.00 0.00 C ATOM 1312 O THR A 78 8.918 -4.951 7.590 1.00 0.00 O ATOM 1313 CB THR A 78 8.348 -1.576 7.296 1.00 0.00 C ATOM 1314 OG1 THR A 78 9.306 -0.536 7.289 1.00 0.00 O ATOM 1315 CG2 THR A 78 7.001 -0.956 7.586 1.00 0.00 C ATOM 0 H THR A 78 9.908 -1.161 9.176 1.00 0.00 H new ATOM 0 HA THR A 78 7.833 -3.039 8.781 1.00 0.00 H new ATOM 0 HB THR A 78 8.303 -2.075 6.328 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.188 -0.906 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.785 -0.191 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.231 -1.726 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.015 -0.503 8.577 1.00 0.00 H new ATOM 1323 N GLY A 79 10.524 -3.532 6.910 1.00 0.00 N ATOM 1324 CA GLY A 79 11.240 -4.556 6.175 1.00 0.00 C ATOM 1325 C GLY A 79 11.396 -4.207 4.709 1.00 0.00 C ATOM 1326 O GLY A 79 12.338 -4.654 4.053 1.00 0.00 O ATOM 0 H GLY A 79 10.947 -2.604 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.225 -4.698 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.710 -5.504 6.266 1.00 0.00 H new ATOM 1330 N LEU A 80 10.472 -3.400 4.191 1.00 0.00 N ATOM 1331 CA LEU A 80 10.514 -2.984 2.793 1.00 0.00 C ATOM 1332 C LEU A 80 11.904 -2.479 2.424 1.00 0.00 C ATOM 1333 O LEU A 80 12.434 -2.802 1.362 1.00 0.00 O ATOM 1334 CB LEU A 80 9.475 -1.891 2.532 1.00 0.00 C ATOM 1335 CG LEU A 80 8.064 -2.204 3.043 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.554 -1.077 3.931 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.111 -2.443 1.880 1.00 0.00 C ATOM 0 H LEU A 80 9.686 -3.022 4.719 1.00 0.00 H new ATOM 0 HA LEU A 80 10.282 -3.849 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.817 -0.967 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.424 -1.708 1.459 1.00 0.00 H new ATOM 0 HG LEU A 80 8.111 -3.116 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.551 -1.317 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.220 -0.957 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.525 -0.149 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.115 -2.663 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.069 -1.551 1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.465 -3.286 1.287 1.00 0.00 H new ATOM 1349 N THR A 81 12.493 -1.695 3.319 1.00 0.00 N ATOM 1350 CA THR A 81 13.829 -1.158 3.098 1.00 0.00 C ATOM 1351 C THR A 81 14.869 -2.268 3.191 1.00 0.00 C ATOM 1352 O THR A 81 15.925 -2.200 2.564 1.00 0.00 O ATOM 1353 CB THR A 81 14.137 -0.063 4.121 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.925 -0.534 5.440 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.296 1.181 3.937 1.00 0.00 C ATOM 0 H THR A 81 12.067 -1.418 4.203 1.00 0.00 H new ATOM 0 HA THR A 81 13.867 -0.726 2.098 1.00 0.00 H new ATOM 0 HB THR A 81 15.183 0.198 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.077 -0.180 5.781 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.565 1.917 4.695 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.475 1.598 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.241 0.925 4.038 1.00 0.00 H new ATOM 1363 N ARG A 82 14.556 -3.295 3.978 1.00 0.00 N ATOM 1364 CA ARG A 82 15.454 -4.428 4.156 1.00 0.00 C ATOM 1365 C ARG A 82 15.079 -5.578 3.219 1.00 0.00 C ATOM 1366 O ARG A 82 15.643 -6.669 3.309 1.00 0.00 O ATOM 1367 CB ARG A 82 15.419 -4.911 5.609 1.00 0.00 C ATOM 1368 CG ARG A 82 15.447 -3.784 6.631 1.00 0.00 C ATOM 1369 CD ARG A 82 16.838 -3.592 7.213 1.00 0.00 C ATOM 1370 NE ARG A 82 17.416 -4.849 7.682 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.993 -5.504 8.760 1.00 0.00 C ATOM 1372 NH1 ARG A 82 15.995 -5.023 9.489 1.00 0.00 N ATOM 1373 NH2 ARG A 82 17.573 -6.645 9.112 1.00 0.00 N ATOM 0 H ARG A 82 13.684 -3.363 4.503 1.00 0.00 H new ATOM 0 HA ARG A 82 16.464 -4.098 3.912 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.519 -5.506 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.270 -5.569 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.117 -2.857 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.743 -4.002 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.489 -3.154 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.790 -2.885 8.041 1.00 0.00 H new ATOM 0 HE ARG A 82 18.190 -5.248 7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.547 -4.146 9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.676 -5.530 10.314 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.342 -7.019 8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.249 -7.148 9.938 1.00 0.00 H new ATOM 1387 N LYS A 83 14.121 -5.332 2.327 1.00 0.00 N ATOM 1388 CA LYS A 83 13.672 -6.349 1.383 1.00 0.00 C ATOM 1389 C LYS A 83 14.419 -6.241 0.055 1.00 0.00 C ATOM 1390 O LYS A 83 13.871 -6.556 -1.002 1.00 0.00 O ATOM 1391 CB LYS A 83 12.166 -6.218 1.145 1.00 0.00 C ATOM 1392 CG LYS A 83 11.419 -7.536 1.237 1.00 0.00 C ATOM 1393 CD LYS A 83 10.905 -7.788 2.645 1.00 0.00 C ATOM 1394 CE LYS A 83 10.954 -9.264 3.001 1.00 0.00 C ATOM 1395 NZ LYS A 83 10.775 -9.491 4.462 1.00 0.00 N ATOM 0 H LYS A 83 13.642 -4.436 2.240 1.00 0.00 H new ATOM 0 HA LYS A 83 13.886 -7.326 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.751 -5.523 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.999 -5.783 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.582 -7.531 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.078 -8.351 0.938 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.503 -7.221 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.880 -7.426 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.176 -9.795 2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.909 -9.682 2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.815 -10.511 4.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.532 -9.006 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.853 -9.115 4.761 1.00 0.00 H new ATOM 1409 N ARG A 84 15.669 -5.797 0.117 1.00 0.00 N ATOM 1410 CA ARG A 84 16.491 -5.651 -1.080 1.00 0.00 C ATOM 1411 C ARG A 84 15.802 -4.772 -2.121 1.00 0.00 C ATOM 1412 O ARG A 84 15.331 -5.258 -3.148 1.00 0.00 O ATOM 1413 CB ARG A 84 16.808 -7.024 -1.679 1.00 0.00 C ATOM 1414 CG ARG A 84 18.187 -7.546 -1.307 1.00 0.00 C ATOM 1415 CD ARG A 84 19.257 -7.020 -2.252 1.00 0.00 C ATOM 1416 NE ARG A 84 20.109 -6.020 -1.610 1.00 0.00 N ATOM 1417 CZ ARG A 84 21.041 -5.319 -2.253 1.00 0.00 C ATOM 1418 NH1 ARG A 84 21.245 -5.503 -3.551 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.773 -4.430 -1.593 1.00 0.00 N ATOM 0 H ARG A 84 16.136 -5.531 0.984 1.00 0.00 H new ATOM 0 HA ARG A 84 17.422 -5.165 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.056 -7.739 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.732 -6.964 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.425 -7.250 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.183 -8.636 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.872 -7.849 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.782 -6.582 -3.130 1.00 0.00 H new ATOM 0 HE ARG A 84 19.982 -5.850 -0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.686 -6.185 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 84 21.961 -4.962 -4.036 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.621 -4.285 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 84 22.487 -3.892 -2.084 1.00 0.00 H new ATOM 1433 N GLY A 85 15.759 -3.472 -1.849 1.00 0.00 N ATOM 1434 CA GLY A 85 15.140 -2.539 -2.770 1.00 0.00 C ATOM 1435 C GLY A 85 13.687 -2.867 -3.064 1.00 0.00 C ATOM 1436 O GLY A 85 13.336 -3.194 -4.198 1.00 0.00 O ATOM 0 H GLY A 85 16.143 -3.048 -1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.202 -1.533 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.701 -2.534 -3.704 1.00 0.00 H new ATOM 1440 N ALA A 86 12.839 -2.769 -2.044 1.00 0.00 N ATOM 1441 CA ALA A 86 11.416 -3.047 -2.206 1.00 0.00 C ATOM 1442 C ALA A 86 10.637 -1.765 -2.497 1.00 0.00 C ATOM 1443 O ALA A 86 9.478 -1.628 -2.105 1.00 0.00 O ATOM 1444 CB ALA A 86 10.866 -3.729 -0.962 1.00 0.00 C ATOM 0 H ALA A 86 13.112 -2.500 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 86 11.296 -3.717 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.803 -3.930 -1.097 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.395 -4.668 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.005 -3.078 -0.099 1.00 0.00 H new ATOM 1450 N GLU A 87 11.285 -0.830 -3.185 1.00 0.00 N ATOM 1451 CA GLU A 87 10.661 0.443 -3.528 1.00 0.00 C ATOM 1452 C GLU A 87 9.883 0.335 -4.836 1.00 0.00 C ATOM 1453 O GLU A 87 10.262 -0.415 -5.737 1.00 0.00 O ATOM 1454 CB GLU A 87 11.726 1.535 -3.640 1.00 0.00 C ATOM 1455 CG GLU A 87 11.172 2.894 -4.043 1.00 0.00 C ATOM 1456 CD GLU A 87 11.693 4.019 -3.170 1.00 0.00 C ATOM 1457 OE1 GLU A 87 12.921 4.084 -2.956 1.00 0.00 O ATOM 1458 OE2 GLU A 87 10.872 4.834 -2.698 1.00 0.00 O ATOM 0 H GLU A 87 12.244 -0.931 -3.517 1.00 0.00 H new ATOM 0 HA GLU A 87 9.961 0.705 -2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.237 1.631 -2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.474 1.227 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.433 3.095 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.084 2.870 -3.987 1.00 0.00 H new ATOM 1465 N ILE A 88 8.794 1.089 -4.934 1.00 0.00 N ATOM 1466 CA ILE A 88 7.961 1.084 -6.130 1.00 0.00 C ATOM 1467 C ILE A 88 7.691 2.507 -6.608 1.00 0.00 C ATOM 1468 O ILE A 88 7.816 3.466 -5.847 1.00 0.00 O ATOM 1469 CB ILE A 88 6.622 0.342 -5.884 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.575 0.692 -6.951 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.085 0.651 -4.493 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.255 -0.023 -6.759 1.00 0.00 C ATOM 0 H ILE A 88 8.467 1.713 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 88 8.508 0.550 -6.907 1.00 0.00 H new ATOM 0 HB ILE A 88 6.823 -0.727 -5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.401 1.768 -6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.974 0.444 -7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.145 0.121 -4.340 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.809 0.330 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.916 1.724 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.563 0.272 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.415 -1.100 -6.801 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.834 0.244 -5.790 1.00 0.00 H new ATOM 1484 N LEU A 89 7.324 2.634 -7.877 1.00 0.00 N ATOM 1485 CA LEU A 89 7.037 3.935 -8.465 1.00 0.00 C ATOM 1486 C LEU A 89 5.616 4.384 -8.134 1.00 0.00 C ATOM 1487 O LEU A 89 4.706 3.562 -8.027 1.00 0.00 O ATOM 1488 CB LEU A 89 7.230 3.889 -9.984 1.00 0.00 C ATOM 1489 CG LEU A 89 6.478 2.765 -10.699 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.941 3.249 -12.037 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.384 1.556 -10.891 1.00 0.00 C ATOM 0 H LEU A 89 7.218 1.849 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 89 7.734 4.657 -8.039 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.912 4.843 -10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.294 3.786 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 89 5.633 2.466 -10.079 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.409 2.436 -12.531 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.259 4.083 -11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.770 3.575 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.833 0.766 -11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.249 1.841 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.720 1.195 -9.919 1.00 0.00 H new ATOM 1503 N PRO A 90 5.406 5.702 -7.965 1.00 0.00 N ATOM 1504 CA PRO A 90 4.085 6.256 -7.643 1.00 0.00 C ATOM 1505 C PRO A 90 3.059 5.994 -8.740 1.00 0.00 C ATOM 1506 O PRO A 90 1.858 5.933 -8.477 1.00 0.00 O ATOM 1507 CB PRO A 90 4.346 7.761 -7.505 1.00 0.00 C ATOM 1508 CG PRO A 90 5.620 8.004 -8.237 1.00 0.00 C ATOM 1509 CD PRO A 90 6.432 6.751 -8.076 1.00 0.00 C ATOM 0 HA PRO A 90 3.666 5.800 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.529 8.343 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.432 8.052 -6.458 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.432 8.215 -9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.147 8.866 -7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.089 6.584 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.065 6.792 -7.190 1.00 0.00 H new ATOM 1517 N ARG A 91 3.538 5.839 -9.969 1.00 0.00 N ATOM 1518 CA ARG A 91 2.659 5.584 -11.105 1.00 0.00 C ATOM 1519 C ARG A 91 1.881 4.287 -10.911 1.00 0.00 C ATOM 1520 O ARG A 91 0.658 4.260 -11.054 1.00 0.00 O ATOM 1521 CB ARG A 91 3.471 5.522 -12.402 1.00 0.00 C ATOM 1522 CG ARG A 91 3.218 6.697 -13.333 1.00 0.00 C ATOM 1523 CD ARG A 91 2.185 6.355 -14.395 1.00 0.00 C ATOM 1524 NE ARG A 91 1.833 7.516 -15.209 1.00 0.00 N ATOM 1525 CZ ARG A 91 0.989 8.468 -14.817 1.00 0.00 C ATOM 1526 NH1 ARG A 91 0.407 8.400 -13.626 1.00 0.00 N ATOM 1527 NH2 ARG A 91 0.725 9.491 -15.619 1.00 0.00 N ATOM 0 H ARG A 91 4.529 5.885 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 91 1.945 6.405 -11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.532 5.486 -12.156 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.234 4.596 -12.926 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.875 7.554 -12.754 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.152 6.990 -13.813 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.574 5.566 -15.038 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.288 5.963 -13.916 1.00 0.00 H new ATOM 0 HE ARG A 91 2.259 7.602 -16.132 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.606 7.615 -13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.239 9.133 -13.331 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.169 9.548 -16.536 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.078 10.221 -15.319 1.00 0.00 H new ATOM 1541 N GLN A 92 2.595 3.214 -10.584 1.00 0.00 N ATOM 1542 CA GLN A 92 1.969 1.915 -10.369 1.00 0.00 C ATOM 1543 C GLN A 92 1.071 1.940 -9.137 1.00 0.00 C ATOM 1544 O GLN A 92 -0.031 1.389 -9.145 1.00 0.00 O ATOM 1545 CB GLN A 92 3.037 0.831 -10.215 1.00 0.00 C ATOM 1546 CG GLN A 92 3.605 0.343 -11.538 1.00 0.00 C ATOM 1547 CD GLN A 92 2.721 -0.693 -12.205 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.872 -1.894 -11.980 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.790 -0.231 -13.034 1.00 0.00 N ATOM 0 H GLN A 92 3.608 3.219 -10.462 1.00 0.00 H new ATOM 0 HA GLN A 92 1.353 1.688 -11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.850 1.219 -9.601 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.608 -0.016 -9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.734 1.192 -12.209 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.594 -0.083 -11.370 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.700 0.773 -13.191 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.166 -0.880 -13.513 1.00 0.00 H new ATOM 1558 N PHE A 93 1.550 2.588 -8.080 1.00 0.00 N ATOM 1559 CA PHE A 93 0.796 2.692 -6.836 1.00 0.00 C ATOM 1560 C PHE A 93 -0.555 3.350 -7.078 1.00 0.00 C ATOM 1561 O PHE A 93 -1.599 2.801 -6.723 1.00 0.00 O ATOM 1562 CB PHE A 93 1.587 3.495 -5.803 1.00 0.00 C ATOM 1563 CG PHE A 93 1.101 3.301 -4.397 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.162 3.729 -4.019 1.00 0.00 C ATOM 1565 CD2 PHE A 93 1.909 2.690 -3.454 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.609 3.550 -2.723 1.00 0.00 C ATOM 1567 CE2 PHE A 93 1.467 2.508 -2.157 1.00 0.00 C ATOM 1568 CZ PHE A 93 0.206 2.938 -1.791 1.00 0.00 C ATOM 0 H PHE A 93 2.459 3.050 -8.060 1.00 0.00 H new ATOM 0 HA PHE A 93 0.629 1.685 -6.454 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.637 3.210 -5.859 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.530 4.554 -6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.804 4.207 -4.744 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.896 2.352 -3.735 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.595 3.888 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.107 2.030 -1.430 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.142 2.796 -0.778 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.530 4.528 -7.692 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.757 5.253 -7.987 1.00 0.00 C ATOM 1580 C GLU A 94 -2.531 4.560 -9.104 1.00 0.00 C ATOM 1581 O GLU A 94 -3.741 4.746 -9.239 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.448 6.702 -8.367 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.844 7.701 -7.291 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.678 8.097 -6.407 1.00 0.00 C ATOM 1585 OE1 GLU A 94 0.037 9.058 -6.762 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.480 7.446 -5.359 1.00 0.00 O ATOM 0 H GLU A 94 0.323 4.998 -7.993 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.377 5.259 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.381 6.798 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.970 6.948 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.257 8.593 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.634 7.272 -6.674 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.832 3.742 -9.890 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.469 3.008 -10.976 1.00 0.00 C ATOM 1595 C GLU A 95 -3.550 2.105 -10.406 1.00 0.00 C ATOM 1596 O GLU A 95 -4.694 2.117 -10.860 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.435 2.176 -11.735 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.368 2.493 -13.219 1.00 0.00 C ATOM 1599 CD GLU A 95 -2.724 2.412 -13.895 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -3.476 1.458 -13.605 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -3.031 3.301 -14.716 1.00 0.00 O ATOM 0 H GLU A 95 -0.831 3.573 -9.794 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.918 3.717 -11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.453 2.341 -11.292 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.668 1.119 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.958 3.494 -13.355 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.682 1.799 -13.704 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.177 1.335 -9.389 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.108 0.438 -8.733 1.00 0.00 C ATOM 1610 C ILE A 96 -5.089 1.228 -7.877 1.00 0.00 C ATOM 1611 O ILE A 96 -6.256 0.859 -7.745 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.366 -0.580 -7.855 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.218 -1.212 -8.643 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.326 -1.646 -7.351 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.628 -1.732 -10.006 1.00 0.00 C ATOM 0 H ILE A 96 -2.233 1.318 -9.004 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.655 -0.101 -9.507 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.950 -0.063 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.426 -0.474 -8.769 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.799 -2.033 -8.062 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.784 -2.360 -6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.114 -1.177 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.770 -2.167 -8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.762 -2.166 -10.506 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.398 -2.494 -9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.019 -0.911 -10.606 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.607 2.335 -7.312 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.442 3.199 -6.485 1.00 0.00 C ATOM 1629 C TRP A 97 -6.685 3.618 -7.263 1.00 0.00 C ATOM 1630 O TRP A 97 -7.778 3.728 -6.706 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.649 4.436 -6.051 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.086 5.003 -4.733 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.447 6.295 -4.479 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.200 4.300 -3.489 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.787 6.436 -3.154 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.642 5.226 -2.525 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.974 2.978 -3.101 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.862 4.868 -1.195 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.191 2.624 -1.782 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.633 3.565 -0.843 1.00 0.00 C ATOM 0 H TRP A 97 -3.643 2.652 -7.413 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.750 2.650 -5.595 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.592 4.176 -5.992 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.746 5.205 -6.817 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.463 7.089 -5.211 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.097 7.301 -2.711 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.636 2.245 -3.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.201 5.592 -0.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.017 1.605 -1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.796 3.256 0.179 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.501 3.837 -8.561 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.592 4.230 -9.445 1.00 0.00 C ATOM 1653 C GLU A 98 -8.342 2.999 -9.953 1.00 0.00 C ATOM 1654 O GLU A 98 -9.542 3.056 -10.221 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.049 5.030 -10.632 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.123 6.535 -10.444 1.00 0.00 C ATOM 1657 CD GLU A 98 -6.060 7.057 -9.497 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -5.599 6.281 -8.634 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -5.688 8.244 -9.618 1.00 0.00 O ATOM 0 H GLU A 98 -5.598 3.748 -9.027 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.283 4.854 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.011 4.746 -10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.608 4.757 -11.527 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.014 7.024 -11.412 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.108 6.802 -10.061 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.616 1.891 -10.098 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.199 0.646 -10.590 1.00 0.00 C ATOM 1668 C ARG A 99 -9.377 0.199 -9.729 1.00 0.00 C ATOM 1669 O ARG A 99 -10.475 -0.033 -10.236 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.141 -0.457 -10.624 1.00 0.00 C ATOM 1671 CG ARG A 99 -6.189 -0.352 -11.805 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.051 -1.680 -12.532 1.00 0.00 C ATOM 1673 NE ARG A 99 -5.244 -1.560 -13.745 1.00 0.00 N ATOM 1674 CZ ARG A 99 -5.255 -2.450 -14.736 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.032 -3.525 -14.662 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -4.488 -2.265 -15.800 1.00 0.00 N ATOM 0 H ARG A 99 -6.621 1.832 -9.881 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.566 0.832 -11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.565 -0.424 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.639 -1.426 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.551 0.407 -12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.210 -0.024 -11.456 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.596 -2.413 -11.865 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.041 -2.056 -12.791 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.636 -0.746 -13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.623 -3.671 -13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.037 -4.204 -15.423 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.889 -1.441 -15.860 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.496 -2.946 -16.559 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.142 0.072 -8.428 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.186 -0.354 -7.505 1.00 0.00 C ATOM 1692 C CYS A 100 -11.074 0.820 -7.103 1.00 0.00 C ATOM 1693 O CYS A 100 -12.177 0.983 -7.625 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.566 -1.000 -6.262 1.00 0.00 C ATOM 1695 SG CYS A 100 -10.769 -1.522 -5.016 1.00 0.00 S ATOM 0 H CYS A 100 -8.240 0.258 -7.990 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.807 -1.091 -8.014 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.981 -1.866 -6.571 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -8.873 -0.293 -5.807 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.975 -2.801 -5.121 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.588 1.635 -6.174 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.353 2.782 -5.721 1.00 0.00 C ATOM 1703 C GLY A 101 -10.739 3.447 -4.505 1.00 0.00 C ATOM 1704 O GLY A 101 -11.454 3.896 -3.608 1.00 0.00 O ATOM 0 H GLY A 101 -9.678 1.522 -5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.426 3.509 -6.530 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.369 2.466 -5.484 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.413 3.515 -4.475 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.731 4.136 -3.355 1.00 0.00 C ATOM 1710 C GLY A 102 -9.141 5.580 -3.166 1.00 0.00 C ATOM 1711 O GLY A 102 -9.505 5.992 -2.064 1.00 0.00 O ATOM 0 H GLY A 102 -8.799 3.152 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.947 3.577 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.654 4.084 -3.513 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.085 6.353 -4.245 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.458 7.759 -4.201 1.00 0.00 C ATOM 1717 C ILE A 103 -10.879 7.933 -3.682 1.00 0.00 C ATOM 1718 O ILE A 103 -11.117 8.679 -2.733 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.345 8.409 -5.590 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.009 8.045 -6.231 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.499 9.918 -5.487 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.108 6.906 -7.214 1.00 0.00 C ATOM 0 H ILE A 103 -8.784 6.027 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.765 8.252 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.148 8.029 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.608 8.921 -6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.299 7.779 -5.448 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.416 10.361 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.475 10.156 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.717 10.321 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.123 6.699 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.480 6.017 -6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.793 7.177 -8.017 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.823 7.229 -4.302 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.220 7.303 -3.892 1.00 0.00 C ATOM 1736 C GLN A 104 -13.359 6.944 -2.416 1.00 0.00 C ATOM 1737 O GLN A 104 -14.123 7.569 -1.681 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.075 6.363 -4.743 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.418 6.926 -6.113 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.252 6.855 -7.080 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -12.397 7.871 -7.053 1.00 0.00 O flip ATOM 1742 NE2 GLN A 104 -13.120 5.898 -7.843 1.00 0.00 N flip ATOM 0 H GLN A 104 -11.645 6.603 -5.088 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.570 8.325 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.546 5.419 -4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.999 6.142 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.263 6.376 -6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.735 7.964 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.801 5.138 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.330 5.865 -8.487 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.599 5.941 -1.988 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.619 5.506 -0.598 1.00 0.00 C ATOM 1753 C TYR A 105 -12.082 6.612 0.304 1.00 0.00 C ATOM 1754 O TYR A 105 -12.665 6.920 1.344 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.787 4.228 -0.434 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.476 3.875 1.006 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.385 3.165 1.780 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.273 4.254 1.588 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.102 2.842 3.094 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -9.982 3.933 2.900 1.00 0.00 C ATOM 1761 CZ TYR A 105 -10.900 3.228 3.650 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.615 2.909 4.957 1.00 0.00 O ATOM 0 H TYR A 105 -11.961 5.414 -2.585 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.647 5.290 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.322 3.397 -0.893 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.850 4.344 -0.979 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.327 2.861 1.349 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.553 4.809 1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.819 2.290 3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.040 4.233 3.336 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.865 2.279 4.984 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.970 7.211 -0.111 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.357 8.291 0.650 1.00 0.00 C ATOM 1774 C LEU A 106 -11.311 9.475 0.748 1.00 0.00 C ATOM 1775 O LEU A 106 -11.466 10.078 1.807 1.00 0.00 O ATOM 1776 CB LEU A 106 -9.046 8.727 -0.005 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.853 8.816 0.943 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.611 9.277 0.199 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -8.161 9.751 2.103 1.00 0.00 C ATOM 0 H LEU A 106 -10.476 6.966 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.142 7.927 1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.805 8.026 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.195 9.701 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.660 7.822 1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.772 9.334 0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.378 8.567 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.791 10.261 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.299 9.802 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.382 10.747 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -9.023 9.375 2.654 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.951 9.795 -0.372 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.901 10.901 -0.429 1.00 0.00 C ATOM 1793 C GLN A 107 -14.095 10.635 0.484 1.00 0.00 C ATOM 1794 O GLN A 107 -14.707 11.562 1.013 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.382 11.109 -1.868 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.716 12.282 -2.568 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.497 13.572 -2.417 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -13.123 14.377 -1.428 1.00 0.00 O flip ATOM 1799 NE2 GLN A 107 -14.426 13.842 -3.178 1.00 0.00 N flip ATOM 0 H GLN A 107 -11.828 9.302 -1.256 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.396 11.804 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.194 10.201 -2.440 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.461 11.265 -1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.713 12.420 -2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -12.604 12.052 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.679 13.194 -3.924 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.943 14.714 -3.063 1.00 0.00 H new ATOM 1808 N SER A 108 -14.419 9.358 0.661 1.00 0.00 N ATOM 1809 CA SER A 108 -15.537 8.957 1.509 1.00 0.00 C ATOM 1810 C SER A 108 -15.243 9.268 2.970 1.00 0.00 C ATOM 1811 O SER A 108 -16.047 9.902 3.654 1.00 0.00 O ATOM 1812 CB SER A 108 -15.826 7.464 1.339 1.00 0.00 C ATOM 1813 OG SER A 108 -16.861 7.042 2.210 1.00 0.00 O ATOM 0 H SER A 108 -13.921 8.581 0.227 1.00 0.00 H new ATOM 0 HA SER A 108 -16.416 9.524 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.110 7.261 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.921 6.890 1.540 1.00 0.00 H new ATOM 0 HG SER A 108 -17.027 6.085 2.081 1.00 0.00 H new ATOM 1819 N ALA A 109 -14.078 8.835 3.437 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.669 9.089 4.811 1.00 0.00 C ATOM 1821 C ALA A 109 -13.297 10.554 4.967 1.00 0.00 C ATOM 1822 O ALA A 109 -13.543 11.174 6.004 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.496 8.197 5.188 1.00 0.00 C ATOM 0 H ALA A 109 -13.402 8.307 2.885 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.498 8.860 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.202 8.399 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.789 7.151 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.656 8.401 4.524 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.715 11.099 3.907 1.00 0.00 N ATOM 1830 CA ILE A 110 -12.306 12.492 3.873 1.00 0.00 C ATOM 1831 C ILE A 110 -13.501 13.406 4.139 1.00 0.00 C ATOM 1832 O ILE A 110 -13.436 14.304 4.981 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.678 12.826 2.500 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -10.206 12.416 2.473 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.819 14.300 2.170 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.629 12.331 1.076 1.00 0.00 C ATOM 0 H ILE A 110 -12.514 10.586 3.048 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.563 12.656 4.653 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.218 12.259 1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.626 13.133 3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.098 11.448 2.962 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.367 14.500 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.875 14.567 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.316 14.894 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.581 12.035 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.184 11.593 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.706 13.304 0.591 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.593 13.164 3.420 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.807 13.956 3.580 1.00 0.00 C ATOM 1850 C GLU A 111 -16.495 13.622 4.897 1.00 0.00 C ATOM 1851 O GLU A 111 -17.037 14.500 5.568 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.762 13.705 2.411 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.204 14.138 1.066 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.692 15.511 0.646 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.866 15.834 0.922 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -15.899 16.264 0.041 1.00 0.00 O ATOM 0 H GLU A 111 -14.662 12.425 2.720 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.530 15.010 3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -17.002 12.642 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.696 14.236 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.115 14.142 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.487 13.408 0.307 1.00 0.00 H new ATOM 1863 N SER A 112 -16.467 12.344 5.260 1.00 0.00 N ATOM 1864 CA SER A 112 -17.086 11.884 6.499 1.00 0.00 C ATOM 1865 C SER A 112 -16.324 12.401 7.719 1.00 0.00 C ATOM 1866 O SER A 112 -16.819 12.327 8.843 1.00 0.00 O ATOM 1867 CB SER A 112 -17.142 10.356 6.528 1.00 0.00 C ATOM 1868 OG SER A 112 -18.306 9.876 5.878 1.00 0.00 O ATOM 0 H SER A 112 -16.022 11.607 4.713 1.00 0.00 H new ATOM 0 HA SER A 112 -18.101 12.280 6.535 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.256 9.947 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 112 -17.129 10.008 7.561 1.00 0.00 H new ATOM 0 HG SER A 112 -18.317 8.897 5.909 1.00 0.00 H new ATOM 1874 N ARG A 113 -15.117 12.920 7.489 1.00 0.00 N ATOM 1875 CA ARG A 113 -14.281 13.451 8.565 1.00 0.00 C ATOM 1876 C ARG A 113 -13.620 12.321 9.349 1.00 0.00 C ATOM 1877 O ARG A 113 -13.360 12.451 10.544 1.00 0.00 O ATOM 1878 CB ARG A 113 -15.098 14.337 9.511 1.00 0.00 C ATOM 1879 CG ARG A 113 -16.009 15.322 8.792 1.00 0.00 C ATOM 1880 CD ARG A 113 -15.274 16.601 8.424 1.00 0.00 C ATOM 1881 NE ARG A 113 -14.543 17.162 9.558 1.00 0.00 N ATOM 1882 CZ ARG A 113 -13.227 17.036 9.738 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -12.488 16.358 8.868 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.650 17.588 10.797 1.00 0.00 N ATOM 0 H ARG A 113 -14.696 12.984 6.562 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.502 14.060 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -15.703 13.702 10.158 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -14.416 14.891 10.156 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -16.407 14.858 7.889 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -16.861 15.562 9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.578 16.397 7.610 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -15.989 17.336 8.055 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.073 17.683 10.257 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.926 15.928 8.053 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.483 16.267 9.014 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.212 18.107 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.644 17.493 10.937 1.00 0.00 H new ATOM 1898 N GLN A 114 -13.346 11.217 8.664 1.00 0.00 N ATOM 1899 CA GLN A 114 -12.708 10.066 9.291 1.00 0.00 C ATOM 1900 C GLN A 114 -11.220 10.031 8.958 1.00 0.00 C ATOM 1901 O GLN A 114 -10.408 9.537 9.739 1.00 0.00 O ATOM 1902 CB GLN A 114 -13.377 8.770 8.833 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.798 8.606 9.343 1.00 0.00 C ATOM 1904 CD GLN A 114 -14.861 7.882 10.674 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -14.120 8.203 11.603 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -15.747 6.898 10.773 1.00 0.00 N ATOM 0 H GLN A 114 -13.556 11.095 7.673 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.822 10.158 10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.385 8.741 7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.779 7.923 9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.259 9.589 9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.383 8.055 8.606 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.342 6.665 9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -15.833 6.375 11.644 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.870 10.564 7.789 1.00 0.00 N ATOM 1916 CA ALA A 115 -9.483 10.600 7.347 1.00 0.00 C ATOM 1917 C ALA A 115 -8.735 11.763 7.993 1.00 0.00 C ATOM 1918 O ALA A 115 -9.296 12.841 8.184 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.417 10.709 5.831 1.00 0.00 C ATOM 0 H ALA A 115 -11.532 10.977 7.132 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.002 9.672 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.375 10.735 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.912 9.848 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.917 11.623 5.510 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.468 11.539 8.327 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.651 12.575 8.948 1.00 0.00 C ATOM 1927 C ARG A 116 -5.750 13.250 7.912 1.00 0.00 C ATOM 1928 O ARG A 116 -4.909 12.598 7.293 1.00 0.00 O ATOM 1929 CB ARG A 116 -5.808 11.981 10.083 1.00 0.00 C ATOM 1930 CG ARG A 116 -4.624 11.153 9.607 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.919 10.466 10.767 1.00 0.00 C ATOM 1932 NE ARG A 116 -2.481 10.726 10.763 1.00 0.00 N ATOM 1933 CZ ARG A 116 -1.584 9.950 11.367 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.970 8.869 12.034 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -0.295 10.258 11.307 1.00 0.00 N ATOM 0 H ARG A 116 -6.986 10.652 8.179 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.317 13.331 9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.441 12.792 10.712 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -6.447 11.357 10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -4.967 10.404 8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.918 11.795 9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -4.348 10.811 11.708 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.094 9.391 10.713 1.00 0.00 H new ATOM 0 HE ARG A 116 -2.144 11.552 10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.960 8.628 12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -1.277 8.279 12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.008 11.089 10.798 1.00 0.00 H new ATOM 0 HH22 ARG A 116 0.393 9.664 11.769 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.915 14.570 7.703 1.00 0.00 N ATOM 1950 CA PRO A 117 -5.111 15.322 6.732 1.00 0.00 C ATOM 1951 C PRO A 117 -3.612 15.185 6.984 1.00 0.00 C ATOM 1952 O PRO A 117 -3.017 15.995 7.695 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.556 16.771 6.941 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.915 16.669 7.540 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.897 15.431 8.389 1.00 0.00 C ATOM 0 HA PRO A 117 -5.263 14.958 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.872 17.304 7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.579 17.318 5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.145 17.550 8.139 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.679 16.601 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.596 15.649 9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.880 14.962 8.439 1.00 0.00 H new ATOM 1963 N THR A 118 -3.007 14.161 6.390 1.00 0.00 N ATOM 1964 CA THR A 118 -1.576 13.924 6.543 1.00 0.00 C ATOM 1965 C THR A 118 -0.845 14.197 5.233 1.00 0.00 C ATOM 1966 O THR A 118 -0.111 15.177 5.110 1.00 0.00 O ATOM 1967 CB THR A 118 -1.318 12.485 6.994 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.932 12.234 8.245 1.00 0.00 O ATOM 1969 CG2 THR A 118 0.152 12.151 7.132 1.00 0.00 C ATOM 0 H THR A 118 -3.486 13.482 5.798 1.00 0.00 H new ATOM 0 HA THR A 118 -1.197 14.606 7.305 1.00 0.00 H new ATOM 0 HB THR A 118 -1.743 11.859 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.566 12.845 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.261 11.116 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.648 12.286 6.171 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.607 12.811 7.870 1.00 0.00 H new ATOM 1977 N TYR A 119 -1.060 13.326 4.253 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.431 13.472 2.948 1.00 0.00 C ATOM 1979 C TYR A 119 -1.341 12.938 1.847 1.00 0.00 C ATOM 1980 O TYR A 119 -1.641 13.640 0.882 1.00 0.00 O ATOM 1981 CB TYR A 119 0.913 12.743 2.912 1.00 0.00 C ATOM 1982 CG TYR A 119 1.724 13.042 1.672 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.588 12.267 0.528 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.620 14.102 1.643 1.00 0.00 C ATOM 1985 CE1 TYR A 119 2.321 12.542 -0.612 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.358 14.384 0.509 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.205 13.601 -0.615 1.00 0.00 C ATOM 1988 OH TYR A 119 3.936 13.878 -1.750 1.00 0.00 O ATOM 0 H TYR A 119 -1.666 12.510 4.339 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.259 14.534 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.493 13.021 3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.737 11.669 2.972 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.898 11.436 0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 119 2.743 14.717 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 119 2.202 11.931 -1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.050 15.213 0.504 1.00 0.00 H new ATOM 0 HH TYR A 119 4.511 14.655 -1.587 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.783 11.694 2.002 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.665 11.072 1.022 1.00 0.00 C ATOM 2000 C ALA A 120 -3.988 11.821 0.930 1.00 0.00 C ATOM 2001 O ALA A 120 -4.488 12.087 -0.162 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.905 9.613 1.374 1.00 0.00 C ATOM 0 H ALA A 120 -1.545 11.098 2.795 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.178 11.120 0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.565 9.164 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.954 9.080 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.368 9.548 2.359 1.00 0.00 H new ATOM 2008 N THR A 121 -4.549 12.165 2.087 1.00 0.00 N ATOM 2009 CA THR A 121 -5.813 12.891 2.133 1.00 0.00 C ATOM 2010 C THR A 121 -5.680 14.238 1.431 1.00 0.00 C ATOM 2011 O THR A 121 -6.498 14.590 0.581 1.00 0.00 O ATOM 2012 CB THR A 121 -6.265 13.093 3.580 1.00 0.00 C ATOM 2013 OG1 THR A 121 -5.150 13.168 4.452 1.00 0.00 O ATOM 2014 CG2 THR A 121 -7.174 11.989 4.079 1.00 0.00 C ATOM 0 H THR A 121 -4.149 11.953 3.001 1.00 0.00 H new ATOM 0 HA THR A 121 -6.566 12.299 1.613 1.00 0.00 H new ATOM 0 HB THR A 121 -6.823 14.029 3.582 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.415 12.874 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.459 12.191 5.111 1.00 0.00 H new ATOM 0 HG22 THR A 121 -8.068 11.945 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.650 11.035 4.028 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.633 14.981 1.779 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.384 16.279 1.168 1.00 0.00 C ATOM 2024 C ALA A 122 -4.156 16.119 -0.330 1.00 0.00 C ATOM 2025 O ALA A 122 -4.748 16.827 -1.149 1.00 0.00 O ATOM 2026 CB ALA A 122 -3.186 16.951 1.823 1.00 0.00 C ATOM 0 H ALA A 122 -3.945 14.705 2.480 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.258 16.912 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.012 17.920 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.383 17.091 2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.303 16.324 1.697 1.00 0.00 H new ATOM 2032 N MET A 123 -3.298 15.166 -0.678 1.00 0.00 N ATOM 2033 CA MET A 123 -2.986 14.881 -2.073 1.00 0.00 C ATOM 2034 C MET A 123 -4.258 14.581 -2.854 1.00 0.00 C ATOM 2035 O MET A 123 -4.406 14.999 -4.002 1.00 0.00 O ATOM 2036 CB MET A 123 -2.009 13.707 -2.163 1.00 0.00 C ATOM 2037 CG MET A 123 -1.331 13.580 -3.519 1.00 0.00 C ATOM 2038 SD MET A 123 -1.739 12.038 -4.359 1.00 0.00 S ATOM 2039 CE MET A 123 -3.520 12.032 -4.187 1.00 0.00 C ATOM 0 H MET A 123 -2.804 14.575 -0.009 1.00 0.00 H new ATOM 0 HA MET A 123 -2.516 15.760 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.245 13.821 -1.394 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.544 12.783 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 123 -1.625 14.420 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.251 13.643 -3.388 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.944 11.251 -4.818 1.00 0.00 H new ATOM 0 HE2 MET A 123 -3.784 11.842 -3.147 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.918 13.000 -4.491 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.184 13.870 -2.218 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.450 13.536 -2.856 1.00 0.00 C ATOM 2051 C LEU A 124 -7.257 14.802 -3.105 1.00 0.00 C ATOM 2052 O LEU A 124 -7.816 14.996 -4.186 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.249 12.559 -1.990 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.977 11.460 -2.770 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.257 10.126 -2.622 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.424 11.346 -2.313 1.00 0.00 C ATOM 0 H LEU A 124 -5.081 13.516 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.242 13.055 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.572 12.091 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.982 13.122 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.974 11.732 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.791 9.360 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.241 10.216 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.223 9.846 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.924 10.560 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.452 11.102 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.934 12.294 -2.481 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.295 15.674 -2.099 1.00 0.00 N ATOM 2069 CA GLN A 125 -8.017 16.936 -2.211 1.00 0.00 C ATOM 2070 C GLN A 125 -7.601 17.660 -3.482 1.00 0.00 C ATOM 2071 O GLN A 125 -8.429 18.244 -4.181 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.749 17.820 -0.990 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.361 17.286 0.295 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.841 16.989 0.158 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.162 15.819 -0.382 1.00 0.00 O flip ATOM 2076 NE2 GLN A 125 -10.687 17.801 0.533 1.00 0.00 N flip ATOM 0 H GLN A 125 -6.835 15.529 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.085 16.723 -2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.672 17.921 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.142 18.819 -1.182 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.838 16.377 0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.213 18.014 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -10.396 18.689 0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.679 17.586 0.434 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.308 17.598 -3.786 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.781 18.230 -4.987 1.00 0.00 C ATOM 2087 C ASN A 126 -6.015 17.334 -6.196 1.00 0.00 C ATOM 2088 O ASN A 126 -6.238 17.815 -7.307 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.288 18.526 -4.831 1.00 0.00 C ATOM 2090 CG ASN A 126 -4.002 19.470 -3.680 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.825 20.321 -3.341 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.830 19.325 -3.073 1.00 0.00 N ATOM 0 H ASN A 126 -5.610 17.118 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.305 19.174 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.750 17.591 -4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.908 18.960 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.581 19.933 -2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.178 18.606 -3.387 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.981 16.026 -5.965 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.207 15.056 -7.027 1.00 0.00 C ATOM 2101 C LEU A 127 -7.593 15.245 -7.637 1.00 0.00 C ATOM 2102 O LEU A 127 -7.857 14.798 -8.754 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.071 13.634 -6.480 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.509 12.608 -7.466 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.989 12.615 -7.433 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.045 11.219 -7.152 1.00 0.00 C ATOM 0 H LEU A 127 -5.799 15.614 -5.050 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.458 15.213 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.427 13.660 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.052 13.295 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.832 12.882 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.606 11.879 -8.140 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.624 13.605 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.646 12.366 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.635 10.502 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.752 10.936 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.132 11.223 -7.227 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.477 15.911 -6.896 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.835 16.159 -7.365 1.00 0.00 C ATOM 2120 C LEU A 128 -9.849 17.210 -8.471 1.00 0.00 C ATOM 2121 O LEU A 128 -10.723 17.201 -9.337 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.725 16.608 -6.204 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.886 15.585 -5.077 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.302 16.271 -3.787 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.897 14.518 -5.467 1.00 0.00 C ATOM 0 H LEU A 128 -8.275 16.287 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.226 15.227 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.313 17.526 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.712 16.852 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.923 15.102 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.411 15.527 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.541 16.996 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.253 16.783 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.999 13.799 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.862 14.985 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.555 14.004 -6.365 1.00 0.00 H new ATOM 2137 N LYS A 129 -8.875 18.114 -8.436 1.00 0.00 N ATOM 2138 CA LYS A 129 -8.777 19.170 -9.437 1.00 0.00 C ATOM 2139 C LYS A 129 -8.635 18.582 -10.838 1.00 0.00 C ATOM 2140 O LYS A 129 -9.568 18.757 -11.649 1.00 0.00 O ATOM 2141 CB LYS A 129 -7.589 20.083 -9.132 1.00 0.00 C ATOM 2142 CG LYS A 129 -7.885 21.131 -8.072 1.00 0.00 C ATOM 2143 CD LYS A 129 -8.342 20.494 -6.770 1.00 0.00 C ATOM 2144 CE LYS A 129 -8.317 21.490 -5.623 1.00 0.00 C ATOM 2145 NZ LYS A 129 -9.633 22.163 -5.439 1.00 0.00 N ATOM 2146 OXT LYS A 129 -7.592 17.951 -11.111 1.00 0.00 O ATOM 0 H LYS A 129 -8.143 18.136 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 129 -9.695 19.756 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -6.747 19.473 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -7.281 20.583 -10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.992 21.729 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -8.656 21.810 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -9.352 20.102 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -7.698 19.648 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -8.041 20.976 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.549 22.240 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -9.572 22.834 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -9.885 22.675 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -10.362 21.450 -5.234 1.00 0.00 H new TER 2160 LYS A 129