USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 753 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 45 ASN :FLIP amide:sc= -0.569 F(o=-4.7,f=-3.9) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 150:sc= -3.37 (180deg=-6.08!) USER MOD Set 2.1: A 52 SER OG : rot -155:sc= -0.111 USER MOD Set 2.2: A 97 TYR OH : rot 30:sc= -0.599 USER MOD Set 2.3: A 101 LYS NZ :NH3+ -149:sc= -3.14! (180deg=-5.37!) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 170:sc= -2.02! (180deg=-2.19!) USER MOD Set 3.2: A 5 SER OG : rot -90:sc= -0.0374! USER MOD Set 3.3: A 41 SER OG : rot 125:sc= 0.635 USER MOD Single : A 1 MET CE :methyl 165:sc= -22.5! (180deg=-23!) USER MOD Single : A 1 MET N :NH3+ 176:sc= -0.104 (180deg=-0.113) USER MOD Single : A 6 GLN : amide:sc= -0.574 K(o=-0.57,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 11 ASN : amide:sc= -14.3! C(o=-14!,f=-26!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= -0.0709 (180deg=-0.465) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= -0.568 (180deg=-0.782) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.638 F(o=-1.2,f=-0.64) USER MOD Single : A 28 SER OG : rot -118:sc= 0.762 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0511 K(o=-0.051,f=-2.9!) USER MOD Single : A 34 CYS SG : rot 90:sc= -0.448 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 68:sc= 0.568 USER MOD Single : A 42 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.9!) USER MOD Single : A 43 SER OG : rot -45:sc= -0.52 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -110:sc= -4.03! USER MOD Single : A 55 SER OG : rot 63:sc= 0.0987 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0486 USER MOD Single : A 72 SER OG : rot -76:sc= 0.0215 USER MOD Single : A 73 MET CE :methyl -173:sc= -9.81! (180deg=-10.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.0505 F(o=-0.66,f=-0.05) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.09! F(o=-3.8,f=-2.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.8!) USER MOD Single : A 88 ASN : amide:sc= -0.393 K(o=-0.39,f=-2.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 96 LYS NZ :NH3+ -136:sc= -2.07 (180deg=-4.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.026 6.670 13.859 1.00 0.00 N ATOM 2 CA MET A 1 4.622 6.544 12.432 1.00 0.00 C ATOM 3 C MET A 1 4.243 7.872 11.833 1.00 0.00 C ATOM 4 O MET A 1 3.938 7.956 10.647 1.00 0.00 O ATOM 5 CB MET A 1 3.405 5.626 12.332 1.00 0.00 C ATOM 6 CG MET A 1 3.099 5.186 10.932 1.00 0.00 C ATOM 7 SD MET A 1 4.148 3.844 10.410 1.00 0.00 S ATOM 8 CE MET A 1 3.061 2.501 10.818 1.00 0.00 C ATOM 0 H1 MET A 1 5.214 5.725 14.251 1.00 0.00 H new ATOM 0 H2 MET A 1 5.887 7.250 13.926 1.00 0.00 H new ATOM 0 H3 MET A 1 4.260 7.123 14.398 1.00 0.00 H new ATOM 0 HA MET A 1 5.476 6.142 11.887 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.573 4.746 12.952 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.536 6.143 12.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.056 4.876 10.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.223 6.029 10.252 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.410 1.590 10.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.052 2.355 11.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.052 2.732 10.475 1.00 0.00 H new ATOM 20 N ASP A 2 4.194 8.905 12.645 1.00 0.00 N ATOM 21 CA ASP A 2 3.771 10.186 12.145 1.00 0.00 C ATOM 22 C ASP A 2 2.371 10.008 11.569 1.00 0.00 C ATOM 23 O ASP A 2 1.810 8.919 11.655 1.00 0.00 O ATOM 24 CB ASP A 2 4.741 10.718 11.090 1.00 0.00 C ATOM 25 CG ASP A 2 5.576 11.873 11.605 1.00 0.00 C ATOM 26 OD1 ASP A 2 5.115 13.030 11.508 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.692 11.621 12.107 1.00 0.00 O ATOM 0 H ASP A 2 4.438 8.882 13.635 1.00 0.00 H new ATOM 0 HA ASP A 2 3.760 10.922 12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.400 9.912 10.767 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.179 11.041 10.214 1.00 0.00 H new ATOM 32 N ILE A 3 1.795 11.053 11.018 1.00 0.00 N ATOM 33 CA ILE A 3 0.445 10.957 10.477 1.00 0.00 C ATOM 34 C ILE A 3 0.377 10.273 9.125 1.00 0.00 C ATOM 35 O ILE A 3 -0.417 9.353 8.929 1.00 0.00 O ATOM 36 CB ILE A 3 -0.206 12.339 10.401 1.00 0.00 C ATOM 37 CG1 ILE A 3 -0.680 12.768 11.796 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.360 12.345 9.408 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.037 12.054 12.930 1.00 0.00 C ATOM 0 H ILE A 3 2.229 11.972 10.930 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.110 10.326 11.171 1.00 0.00 H new ATOM 0 HB ILE A 3 0.535 13.056 10.047 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.534 13.843 11.905 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.751 12.581 11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.805 13.339 9.373 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.990 12.079 8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.113 11.621 9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.350 12.408 13.885 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.129 10.980 12.847 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.106 12.261 12.872 1.00 0.00 H new ATOM 51 N LYS A 4 1.178 10.740 8.188 1.00 0.00 N ATOM 52 CA LYS A 4 1.168 10.183 6.845 1.00 0.00 C ATOM 53 C LYS A 4 1.198 8.657 6.882 1.00 0.00 C ATOM 54 O LYS A 4 0.444 8.004 6.170 1.00 0.00 O ATOM 55 CB LYS A 4 2.326 10.753 6.010 1.00 0.00 C ATOM 56 CG LYS A 4 3.645 10.008 6.146 1.00 0.00 C ATOM 57 CD LYS A 4 4.484 10.551 7.289 1.00 0.00 C ATOM 58 CE LYS A 4 4.898 9.451 8.247 1.00 0.00 C ATOM 59 NZ LYS A 4 6.297 9.630 8.727 1.00 0.00 N ATOM 0 H LYS A 4 1.843 11.501 8.328 1.00 0.00 H new ATOM 0 HA LYS A 4 0.236 10.476 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.032 10.752 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.482 11.793 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.449 8.949 6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.205 10.087 5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.372 11.040 6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.918 11.310 7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.220 9.439 9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.805 8.484 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.486 8.963 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.958 9.448 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.425 10.604 9.069 1.00 0.00 H new ATOM 73 N SER A 5 2.070 8.099 7.720 1.00 0.00 N ATOM 74 CA SER A 5 2.182 6.653 7.856 1.00 0.00 C ATOM 75 C SER A 5 1.196 6.080 8.884 1.00 0.00 C ATOM 76 O SER A 5 1.153 4.871 9.099 1.00 0.00 O ATOM 77 CB SER A 5 3.626 6.249 8.156 1.00 0.00 C ATOM 78 OG SER A 5 4.467 6.519 7.048 1.00 0.00 O ATOM 0 H SER A 5 2.708 8.629 8.314 1.00 0.00 H new ATOM 0 HA SER A 5 1.903 6.213 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.985 6.791 9.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.668 5.187 8.399 1.00 0.00 H new ATOM 0 HG SER A 5 4.495 5.736 6.460 1.00 0.00 H new ATOM 84 N GLN A 6 0.446 6.959 9.551 1.00 0.00 N ATOM 85 CA GLN A 6 -0.488 6.561 10.607 1.00 0.00 C ATOM 86 C GLN A 6 -1.871 6.080 10.185 1.00 0.00 C ATOM 87 O GLN A 6 -2.391 5.139 10.784 1.00 0.00 O ATOM 88 CB GLN A 6 -0.692 7.749 11.538 1.00 0.00 C ATOM 89 CG GLN A 6 -0.372 7.449 12.975 1.00 0.00 C ATOM 90 CD GLN A 6 -1.016 8.426 13.937 1.00 0.00 C ATOM 91 OE1 GLN A 6 -0.362 9.331 14.455 1.00 0.00 O ATOM 92 NE2 GLN A 6 -2.309 8.245 14.181 1.00 0.00 N ATOM 0 H GLN A 6 0.468 7.964 9.376 1.00 0.00 H new ATOM 0 HA GLN A 6 -0.012 5.693 11.063 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.067 8.576 11.200 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.727 8.082 11.467 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.705 6.439 13.213 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.709 7.469 13.113 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.811 7.481 13.729 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.800 8.870 14.821 1.00 0.00 H new ATOM 101 N THR A 7 -2.510 6.741 9.241 1.00 0.00 N ATOM 102 CA THR A 7 -3.864 6.351 8.895 1.00 0.00 C ATOM 103 C THR A 7 -3.893 5.195 7.953 1.00 0.00 C ATOM 104 O THR A 7 -4.747 4.318 8.055 1.00 0.00 O ATOM 105 CB THR A 7 -4.681 7.512 8.367 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.922 8.709 8.346 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.897 7.737 9.226 1.00 0.00 C ATOM 0 H THR A 7 -2.130 7.527 8.713 1.00 0.00 H new ATOM 0 HA THR A 7 -4.333 6.025 9.824 1.00 0.00 H new ATOM 0 HB THR A 7 -4.981 7.257 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.474 9.441 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.471 8.575 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.516 6.840 9.223 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.585 7.960 10.247 1.00 0.00 H new ATOM 115 N LEU A 8 -2.938 5.161 7.068 1.00 0.00 N ATOM 116 CA LEU A 8 -2.854 4.058 6.158 1.00 0.00 C ATOM 117 C LEU A 8 -2.410 2.858 6.969 1.00 0.00 C ATOM 118 O LEU A 8 -2.789 1.727 6.687 1.00 0.00 O ATOM 119 CB LEU A 8 -1.929 4.333 4.964 1.00 0.00 C ATOM 120 CG LEU A 8 -1.010 5.545 5.097 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.800 6.848 5.160 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.105 5.362 6.292 1.00 0.00 C ATOM 0 H LEU A 8 -2.217 5.874 6.958 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.827 3.876 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.312 3.450 4.796 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.545 4.465 4.075 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.387 5.617 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.111 7.687 5.254 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.387 6.962 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.467 6.828 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.551 6.227 6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.709 5.264 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.497 4.463 6.158 1.00 0.00 H new ATOM 134 N TYR A 9 -1.657 3.127 8.038 1.00 0.00 N ATOM 135 CA TYR A 9 -1.245 2.085 8.932 1.00 0.00 C ATOM 136 C TYR A 9 -2.440 1.643 9.751 1.00 0.00 C ATOM 137 O TYR A 9 -2.869 0.494 9.702 1.00 0.00 O ATOM 138 CB TYR A 9 -0.169 2.589 9.847 1.00 0.00 C ATOM 139 CG TYR A 9 0.201 1.601 10.906 1.00 0.00 C ATOM 140 CD1 TYR A 9 0.154 0.231 10.666 1.00 0.00 C ATOM 141 CD2 TYR A 9 0.631 2.048 12.132 1.00 0.00 C ATOM 142 CE1 TYR A 9 0.537 -0.663 11.650 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.023 1.174 13.112 1.00 0.00 C ATOM 144 CZ TYR A 9 0.978 -0.185 12.871 1.00 0.00 C ATOM 145 OH TYR A 9 1.370 -1.068 13.851 1.00 0.00 O ATOM 0 H TYR A 9 -1.330 4.060 8.290 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.854 1.245 8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.716 2.833 9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.503 3.513 10.319 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.183 -0.136 9.708 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.661 3.110 12.327 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.492 -1.726 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.365 1.546 14.067 1.00 0.00 H new ATOM 0 HH TYR A 9 1.653 -0.570 14.646 1.00 0.00 H new ATOM 155 N LEU A 10 -2.984 2.592 10.504 1.00 0.00 N ATOM 156 CA LEU A 10 -4.147 2.328 11.328 1.00 0.00 C ATOM 157 C LEU A 10 -5.220 1.656 10.494 1.00 0.00 C ATOM 158 O LEU A 10 -5.824 0.673 10.918 1.00 0.00 O ATOM 159 CB LEU A 10 -4.688 3.626 11.926 1.00 0.00 C ATOM 160 CG LEU A 10 -4.133 3.977 13.304 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.644 5.336 13.759 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.504 2.898 14.311 1.00 0.00 C ATOM 0 H LEU A 10 -2.635 3.549 10.558 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.856 1.667 12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.466 4.445 11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.773 3.553 11.995 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.046 4.030 13.237 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.237 5.567 14.743 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.330 6.100 13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.733 5.316 13.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.102 3.160 15.290 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.589 2.817 14.374 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.087 1.943 13.991 1.00 0.00 H new ATOM 174 N ASN A 11 -5.426 2.172 9.289 1.00 0.00 N ATOM 175 CA ASN A 11 -6.406 1.591 8.392 1.00 0.00 C ATOM 176 C ASN A 11 -5.933 0.209 7.945 1.00 0.00 C ATOM 177 O ASN A 11 -6.734 -0.640 7.565 1.00 0.00 O ATOM 178 CB ASN A 11 -6.693 2.511 7.192 1.00 0.00 C ATOM 179 CG ASN A 11 -5.720 2.377 6.036 1.00 0.00 C ATOM 180 OD1 ASN A 11 -4.970 1.411 5.937 1.00 0.00 O ATOM 181 ND2 ASN A 11 -5.743 3.361 5.143 1.00 0.00 N ATOM 0 H ASN A 11 -4.932 2.983 8.917 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.349 1.480 8.927 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.699 2.304 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.685 3.545 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.120 3.332 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.383 4.146 5.265 1.00 0.00 H new ATOM 188 N LEU A 12 -4.614 -0.005 8.006 1.00 0.00 N ATOM 189 CA LEU A 12 -4.021 -1.278 7.619 1.00 0.00 C ATOM 190 C LEU A 12 -4.459 -2.389 8.558 1.00 0.00 C ATOM 191 O LEU A 12 -4.744 -3.505 8.124 1.00 0.00 O ATOM 192 CB LEU A 12 -2.498 -1.185 7.558 1.00 0.00 C ATOM 193 CG LEU A 12 -1.954 -0.825 6.178 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.557 -0.233 6.287 1.00 0.00 C ATOM 195 CD2 LEU A 12 -1.955 -2.048 5.270 1.00 0.00 C ATOM 0 H LEU A 12 -3.940 0.693 8.321 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.379 -1.519 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.161 -0.438 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.073 -2.140 7.867 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.606 -0.071 5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.189 0.016 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.591 0.669 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.111 -0.960 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.564 -1.774 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.328 -2.826 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.974 -2.421 5.163 1.00 0.00 H new ATOM 207 N SER A 13 -4.535 -2.073 9.843 1.00 0.00 N ATOM 208 CA SER A 13 -4.966 -3.044 10.831 1.00 0.00 C ATOM 209 C SER A 13 -6.472 -3.207 10.760 1.00 0.00 C ATOM 210 O SER A 13 -6.999 -4.320 10.797 1.00 0.00 O ATOM 211 CB SER A 13 -4.546 -2.604 12.233 1.00 0.00 C ATOM 212 OG SER A 13 -4.969 -3.541 13.209 1.00 0.00 O ATOM 0 H SER A 13 -4.304 -1.155 10.222 1.00 0.00 H new ATOM 0 HA SER A 13 -4.491 -4.002 10.617 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.462 -2.495 12.274 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.973 -1.626 12.454 1.00 0.00 H new ATOM 0 HG SER A 13 -4.687 -3.238 14.097 1.00 0.00 H new ATOM 218 N GLU A 14 -7.153 -2.081 10.634 1.00 0.00 N ATOM 219 CA GLU A 14 -8.602 -2.076 10.531 1.00 0.00 C ATOM 220 C GLU A 14 -9.039 -2.689 9.213 1.00 0.00 C ATOM 221 O GLU A 14 -10.152 -3.196 9.082 1.00 0.00 O ATOM 222 CB GLU A 14 -9.151 -0.660 10.626 1.00 0.00 C ATOM 223 CG GLU A 14 -8.569 0.176 11.756 1.00 0.00 C ATOM 224 CD GLU A 14 -8.029 -0.654 12.907 1.00 0.00 C ATOM 225 OE1 GLU A 14 -8.798 -1.466 13.464 1.00 0.00 O ATOM 226 OE2 GLU A 14 -6.840 -0.492 13.249 1.00 0.00 O ATOM 0 H GLU A 14 -6.724 -1.156 10.601 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.995 -2.666 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.964 -0.149 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.232 -0.712 10.752 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.767 0.799 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.339 0.849 12.133 1.00 0.00 H new ATOM 233 N ALA A 15 -8.150 -2.642 8.238 1.00 0.00 N ATOM 234 CA ALA A 15 -8.431 -3.204 6.932 1.00 0.00 C ATOM 235 C ALA A 15 -8.288 -4.694 6.965 1.00 0.00 C ATOM 236 O ALA A 15 -9.162 -5.429 6.538 1.00 0.00 O ATOM 237 CB ALA A 15 -7.513 -2.650 5.892 1.00 0.00 C ATOM 0 H ALA A 15 -7.226 -2.219 8.327 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.456 -2.936 6.675 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.750 -3.092 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.636 -1.568 5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.482 -2.885 6.155 1.00 0.00 H new ATOM 243 N TYR A 16 -7.161 -5.135 7.483 1.00 0.00 N ATOM 244 CA TYR A 16 -6.893 -6.547 7.590 1.00 0.00 C ATOM 245 C TYR A 16 -8.065 -7.232 8.281 1.00 0.00 C ATOM 246 O TYR A 16 -8.382 -8.388 8.000 1.00 0.00 O ATOM 247 CB TYR A 16 -5.602 -6.747 8.359 1.00 0.00 C ATOM 248 CG TYR A 16 -5.667 -7.922 9.263 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.589 -9.186 8.740 1.00 0.00 C ATOM 250 CD2 TYR A 16 -5.835 -7.760 10.616 1.00 0.00 C ATOM 251 CE1 TYR A 16 -5.668 -10.298 9.535 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.915 -8.864 11.450 1.00 0.00 C ATOM 253 CZ TYR A 16 -5.830 -10.138 10.901 1.00 0.00 C ATOM 254 OH TYR A 16 -5.912 -11.243 11.717 1.00 0.00 O ATOM 0 H TYR A 16 -6.417 -4.533 7.836 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.777 -6.991 6.601 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.778 -6.876 7.657 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.386 -5.852 8.943 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.462 -9.308 7.674 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.905 -6.766 11.033 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.605 -11.286 9.103 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.042 -8.736 12.515 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.023 -10.955 12.647 1.00 0.00 H new ATOM 264 N LYS A 17 -8.725 -6.487 9.159 1.00 0.00 N ATOM 265 CA LYS A 17 -9.887 -6.993 9.861 1.00 0.00 C ATOM 266 C LYS A 17 -11.140 -6.784 9.010 1.00 0.00 C ATOM 267 O LYS A 17 -12.258 -7.013 9.470 1.00 0.00 O ATOM 268 CB LYS A 17 -10.052 -6.320 11.228 1.00 0.00 C ATOM 269 CG LYS A 17 -10.185 -4.815 11.148 1.00 0.00 C ATOM 270 CD LYS A 17 -10.431 -4.186 12.511 1.00 0.00 C ATOM 271 CE LYS A 17 -11.542 -3.149 12.458 1.00 0.00 C ATOM 272 NZ LYS A 17 -12.850 -3.749 12.074 1.00 0.00 N ATOM 0 H LYS A 17 -8.471 -5.529 9.399 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.743 -8.060 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.934 -6.729 11.721 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.194 -6.568 11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.278 -4.394 10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.006 -4.560 10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.692 -4.963 13.229 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.513 -3.718 12.867 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.636 -2.669 13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.277 -2.370 11.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.623 -3.189 12.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.939 -3.753 11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.902 -4.725 12.430 1.00 0.00 H new ATOM 286 N ASP A 18 -10.942 -6.376 7.750 1.00 0.00 N ATOM 287 CA ASP A 18 -12.050 -6.176 6.834 1.00 0.00 C ATOM 288 C ASP A 18 -12.730 -7.518 6.596 1.00 0.00 C ATOM 289 O ASP A 18 -12.113 -8.429 6.055 1.00 0.00 O ATOM 290 CB ASP A 18 -11.579 -5.604 5.495 1.00 0.00 C ATOM 291 CG ASP A 18 -11.698 -4.095 5.438 1.00 0.00 C ATOM 292 OD1 ASP A 18 -11.568 -3.448 6.498 1.00 0.00 O ATOM 293 OD2 ASP A 18 -11.925 -3.561 4.333 1.00 0.00 O ATOM 0 H ASP A 18 -10.024 -6.181 7.351 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.743 -5.461 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.541 -5.891 5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.167 -6.043 4.689 1.00 0.00 H new ATOM 298 N PRO A 19 -13.990 -7.685 7.015 1.00 0.00 N ATOM 299 CA PRO A 19 -14.709 -8.953 6.854 1.00 0.00 C ATOM 300 C PRO A 19 -14.513 -9.611 5.485 1.00 0.00 C ATOM 301 O PRO A 19 -14.604 -10.834 5.368 1.00 0.00 O ATOM 302 CB PRO A 19 -16.154 -8.538 7.064 1.00 0.00 C ATOM 303 CG PRO A 19 -16.056 -7.448 8.069 1.00 0.00 C ATOM 304 CD PRO A 19 -14.814 -6.676 7.706 1.00 0.00 C ATOM 0 HA PRO A 19 -14.351 -9.714 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.611 -8.191 6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.761 -9.367 7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.938 -6.808 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.986 -7.851 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.040 -5.828 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.312 -6.280 8.589 1.00 0.00 H new ATOM 312 N GLU A 20 -14.227 -8.815 4.455 1.00 0.00 N ATOM 313 CA GLU A 20 -14.006 -9.367 3.126 1.00 0.00 C ATOM 314 C GLU A 20 -12.522 -9.488 2.822 1.00 0.00 C ATOM 315 O GLU A 20 -12.103 -9.713 1.688 1.00 0.00 O ATOM 316 CB GLU A 20 -14.687 -8.510 2.089 1.00 0.00 C ATOM 317 CG GLU A 20 -16.187 -8.684 2.108 1.00 0.00 C ATOM 318 CD GLU A 20 -16.848 -8.237 0.818 1.00 0.00 C ATOM 319 OE1 GLU A 20 -16.333 -7.292 0.185 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.880 -8.832 0.442 1.00 0.00 O ATOM 0 H GLU A 20 -14.144 -7.800 4.516 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.436 -10.368 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.441 -7.463 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.305 -8.765 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.424 -9.733 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -16.603 -8.116 2.940 1.00 0.00 H new ATOM 327 N VAL A 21 -11.764 -9.415 3.888 1.00 0.00 N ATOM 328 CA VAL A 21 -10.326 -9.587 3.876 1.00 0.00 C ATOM 329 C VAL A 21 -10.038 -10.792 4.756 1.00 0.00 C ATOM 330 O VAL A 21 -9.156 -11.602 4.472 1.00 0.00 O ATOM 331 CB VAL A 21 -9.577 -8.343 4.398 1.00 0.00 C ATOM 332 CG1 VAL A 21 -8.102 -8.647 4.635 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.738 -7.189 3.422 1.00 0.00 C ATOM 0 H VAL A 21 -12.139 -9.229 4.818 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.975 -9.733 2.854 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.013 -8.057 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.600 -7.752 5.002 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.009 -9.444 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.641 -8.963 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.206 -6.316 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.328 -7.472 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.796 -6.950 3.313 1.00 0.00 H new ATOM 343 N LYS A 22 -10.862 -10.927 5.803 1.00 0.00 N ATOM 344 CA LYS A 22 -10.796 -12.050 6.709 1.00 0.00 C ATOM 345 C LYS A 22 -10.968 -13.316 5.896 1.00 0.00 C ATOM 346 O LYS A 22 -10.277 -14.313 6.099 1.00 0.00 O ATOM 347 CB LYS A 22 -11.933 -11.964 7.735 1.00 0.00 C ATOM 348 CG LYS A 22 -12.180 -10.577 8.280 1.00 0.00 C ATOM 349 CD LYS A 22 -10.924 -9.976 8.869 1.00 0.00 C ATOM 350 CE LYS A 22 -10.886 -10.137 10.381 1.00 0.00 C ATOM 351 NZ LYS A 22 -11.262 -11.515 10.804 1.00 0.00 N ATOM 0 H LYS A 22 -11.590 -10.252 6.035 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.841 -12.047 7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.851 -12.328 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.707 -12.632 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.552 -9.934 7.483 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.956 -10.619 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.049 -10.455 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.871 -8.918 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.885 -9.906 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.566 -9.419 10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.078 -11.628 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.273 -11.672 10.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.698 -12.208 10.271 1.00 0.00 H new ATOM 365 N ALA A 23 -11.897 -13.239 4.945 1.00 0.00 N ATOM 366 CA ALA A 23 -12.169 -14.351 4.058 1.00 0.00 C ATOM 367 C ALA A 23 -10.983 -14.552 3.135 1.00 0.00 C ATOM 368 O ALA A 23 -10.689 -15.666 2.702 1.00 0.00 O ATOM 369 CB ALA A 23 -13.439 -14.100 3.259 1.00 0.00 C ATOM 0 H ALA A 23 -12.471 -12.413 4.775 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.322 -15.255 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.627 -14.946 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.280 -13.979 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.321 -13.194 2.664 1.00 0.00 H new ATOM 375 N ASN A 24 -10.292 -13.452 2.865 1.00 0.00 N ATOM 376 CA ASN A 24 -9.119 -13.472 2.025 1.00 0.00 C ATOM 377 C ASN A 24 -7.865 -13.406 2.885 1.00 0.00 C ATOM 378 O ASN A 24 -7.152 -12.401 2.889 1.00 0.00 O ATOM 379 CB ASN A 24 -9.153 -12.313 1.028 1.00 0.00 C ATOM 380 CG ASN A 24 -10.390 -12.342 0.152 1.00 0.00 C ATOM 381 OD1 ASN A 24 -10.904 -11.165 -0.185 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 -10.877 -13.410 -0.220 1.00 0.00 N flip ATOM 0 H ASN A 24 -10.534 -12.528 3.224 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.106 -14.403 1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.118 -11.369 1.571 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.264 -12.352 0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.449 -14.292 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.708 -13.413 -0.811 1.00 0.00 H new ATOM 389 N GLU A 25 -7.615 -14.486 3.623 1.00 0.00 N ATOM 390 CA GLU A 25 -6.459 -14.577 4.513 1.00 0.00 C ATOM 391 C GLU A 25 -5.233 -13.915 3.908 1.00 0.00 C ATOM 392 O GLU A 25 -4.626 -13.033 4.515 1.00 0.00 O ATOM 393 CB GLU A 25 -6.154 -16.041 4.835 1.00 0.00 C ATOM 394 CG GLU A 25 -5.015 -16.222 5.826 1.00 0.00 C ATOM 395 CD GLU A 25 -4.646 -17.678 6.032 1.00 0.00 C ATOM 396 OE1 GLU A 25 -4.717 -18.453 5.055 1.00 0.00 O ATOM 397 OE2 GLU A 25 -4.288 -18.045 7.171 1.00 0.00 O ATOM 0 H GLU A 25 -8.204 -15.318 3.621 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.708 -14.047 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.052 -16.511 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.907 -16.564 3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.140 -15.676 5.472 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.298 -15.784 6.783 1.00 0.00 H new ATOM 404 N PHE A 26 -4.891 -14.339 2.705 1.00 0.00 N ATOM 405 CA PHE A 26 -3.742 -13.793 1.992 1.00 0.00 C ATOM 406 C PHE A 26 -3.807 -12.268 1.967 1.00 0.00 C ATOM 407 O PHE A 26 -2.818 -11.587 2.241 1.00 0.00 O ATOM 408 CB PHE A 26 -3.688 -14.364 0.567 1.00 0.00 C ATOM 409 CG PHE A 26 -3.453 -13.337 -0.508 1.00 0.00 C ATOM 410 CD1 PHE A 26 -2.193 -12.797 -0.705 1.00 0.00 C ATOM 411 CD2 PHE A 26 -4.495 -12.914 -1.317 1.00 0.00 C ATOM 412 CE1 PHE A 26 -1.976 -11.852 -1.691 1.00 0.00 C ATOM 413 CE2 PHE A 26 -4.284 -11.970 -2.304 1.00 0.00 C ATOM 414 CZ PHE A 26 -3.024 -11.439 -2.492 1.00 0.00 C ATOM 0 H PHE A 26 -5.394 -15.065 2.195 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.830 -14.083 2.514 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.895 -15.111 0.518 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.625 -14.880 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.371 -13.117 -0.082 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.483 -13.326 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.989 -11.437 -1.835 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.105 -11.648 -2.928 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.857 -10.702 -3.264 1.00 0.00 H new ATOM 424 N LEU A 27 -4.981 -11.745 1.639 1.00 0.00 N ATOM 425 CA LEU A 27 -5.183 -10.307 1.581 1.00 0.00 C ATOM 426 C LEU A 27 -4.988 -9.678 2.951 1.00 0.00 C ATOM 427 O LEU A 27 -4.359 -8.626 3.071 1.00 0.00 O ATOM 428 CB LEU A 27 -6.576 -9.989 1.048 1.00 0.00 C ATOM 429 CG LEU A 27 -6.608 -9.523 -0.405 1.00 0.00 C ATOM 430 CD1 LEU A 27 -7.802 -10.123 -1.131 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.638 -8.004 -0.469 1.00 0.00 C ATOM 0 H LEU A 27 -5.807 -12.297 1.409 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.442 -9.886 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.200 -10.878 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.023 -9.216 1.674 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.703 -9.868 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.809 -9.780 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.732 -11.211 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.722 -9.809 -0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.661 -7.684 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.527 -7.636 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.748 -7.602 0.015 1.00 0.00 H new ATOM 443 N SER A 28 -5.518 -10.319 3.990 1.00 0.00 N ATOM 444 CA SER A 28 -5.377 -9.804 5.326 1.00 0.00 C ATOM 445 C SER A 28 -3.915 -9.811 5.738 1.00 0.00 C ATOM 446 O SER A 28 -3.392 -8.807 6.214 1.00 0.00 O ATOM 447 CB SER A 28 -6.243 -10.619 6.285 1.00 0.00 C ATOM 448 OG SER A 28 -6.948 -11.641 5.603 1.00 0.00 O ATOM 0 H SER A 28 -6.044 -11.190 3.921 1.00 0.00 H new ATOM 0 HA SER A 28 -5.720 -8.770 5.360 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.615 -11.062 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.951 -9.960 6.788 1.00 0.00 H new ATOM 0 HG SER A 28 -7.912 -11.488 5.691 1.00 0.00 H new ATOM 454 N LYS A 29 -3.252 -10.936 5.518 1.00 0.00 N ATOM 455 CA LYS A 29 -1.832 -11.068 5.845 1.00 0.00 C ATOM 456 C LYS A 29 -1.034 -9.894 5.288 1.00 0.00 C ATOM 457 O LYS A 29 -0.169 -9.346 5.968 1.00 0.00 O ATOM 458 CB LYS A 29 -1.251 -12.372 5.288 1.00 0.00 C ATOM 459 CG LYS A 29 -2.123 -13.595 5.506 1.00 0.00 C ATOM 460 CD LYS A 29 -1.281 -14.846 5.710 1.00 0.00 C ATOM 461 CE LYS A 29 -1.343 -15.334 7.149 1.00 0.00 C ATOM 462 NZ LYS A 29 -0.899 -16.751 7.276 1.00 0.00 N ATOM 0 H LYS A 29 -3.671 -11.774 5.114 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.754 -11.078 6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.079 -12.250 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.279 -12.548 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.762 -13.438 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.781 -13.733 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.631 -15.634 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.246 -14.637 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.715 -14.700 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.363 -15.239 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.956 -17.045 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.514 -17.360 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.083 -16.838 6.945 1.00 0.00 H new ATOM 476 N LEU A 30 -1.323 -9.511 4.048 1.00 0.00 N ATOM 477 CA LEU A 30 -0.618 -8.402 3.424 1.00 0.00 C ATOM 478 C LEU A 30 -0.839 -7.122 4.215 1.00 0.00 C ATOM 479 O LEU A 30 0.117 -6.459 4.616 1.00 0.00 O ATOM 480 CB LEU A 30 -1.074 -8.217 1.973 1.00 0.00 C ATOM 481 CG LEU A 30 -0.206 -8.897 0.898 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.257 -7.879 -0.132 1.00 0.00 C ATOM 483 CD2 LEU A 30 0.994 -9.618 1.505 1.00 0.00 C ATOM 0 H LEU A 30 -2.034 -9.949 3.462 1.00 0.00 H new ATOM 0 HA LEU A 30 0.447 -8.632 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.092 -8.596 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.111 -7.149 1.759 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.825 -9.647 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.869 -8.376 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.611 -7.426 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.845 -7.105 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.579 -10.083 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.616 -8.901 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.646 -10.385 2.197 1.00 0.00 H new ATOM 495 N VAL A 31 -2.100 -6.793 4.463 1.00 0.00 N ATOM 496 CA VAL A 31 -2.425 -5.598 5.238 1.00 0.00 C ATOM 497 C VAL A 31 -1.788 -5.693 6.620 1.00 0.00 C ATOM 498 O VAL A 31 -1.494 -4.683 7.255 1.00 0.00 O ATOM 499 CB VAL A 31 -3.951 -5.361 5.403 1.00 0.00 C ATOM 500 CG1 VAL A 31 -4.314 -3.941 4.997 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.775 -6.365 4.607 1.00 0.00 C ATOM 0 H VAL A 31 -2.908 -7.328 4.144 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.027 -4.752 4.677 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.190 -5.505 6.457 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.387 -3.791 5.118 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.775 -3.233 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.041 -3.780 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.836 -6.161 4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.530 -6.278 3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.549 -7.375 4.950 1.00 0.00 H new ATOM 511 N VAL A 32 -1.565 -6.928 7.068 1.00 0.00 N ATOM 512 CA VAL A 32 -0.949 -7.180 8.361 1.00 0.00 C ATOM 513 C VAL A 32 0.547 -6.951 8.291 1.00 0.00 C ATOM 514 O VAL A 32 1.074 -5.996 8.863 1.00 0.00 O ATOM 515 CB VAL A 32 -1.204 -8.619 8.832 1.00 0.00 C ATOM 516 CG1 VAL A 32 -0.725 -8.809 10.262 1.00 0.00 C ATOM 517 CG2 VAL A 32 -2.676 -8.980 8.695 1.00 0.00 C ATOM 0 H VAL A 32 -1.805 -7.772 6.547 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.399 -6.487 9.072 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.634 -9.294 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.915 -9.835 10.576 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.344 -8.605 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.260 -8.123 10.919 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.833 -10.004 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.275 -8.301 9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.976 -8.894 7.651 1.00 0.00 H new ATOM 527 N GLN A 33 1.222 -7.833 7.567 1.00 0.00 N ATOM 528 CA GLN A 33 2.663 -7.742 7.385 1.00 0.00 C ATOM 529 C GLN A 33 3.033 -6.311 7.037 1.00 0.00 C ATOM 530 O GLN A 33 3.853 -5.683 7.703 1.00 0.00 O ATOM 531 CB GLN A 33 3.120 -8.726 6.292 1.00 0.00 C ATOM 532 CG GLN A 33 3.760 -8.074 5.074 1.00 0.00 C ATOM 533 CD GLN A 33 4.385 -9.085 4.133 1.00 0.00 C ATOM 534 OE1 GLN A 33 3.801 -9.445 3.112 1.00 0.00 O ATOM 535 NE2 GLN A 33 5.581 -9.550 4.477 1.00 0.00 N ATOM 0 H GLN A 33 0.790 -8.626 7.093 1.00 0.00 H new ATOM 0 HA GLN A 33 3.173 -8.015 8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.832 -9.427 6.728 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.259 -9.309 5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.006 -7.500 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.523 -7.369 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.028 -9.223 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.052 -10.234 3.885 1.00 0.00 H new ATOM 544 N CYS A 34 2.383 -5.804 6.003 1.00 0.00 N ATOM 545 CA CYS A 34 2.592 -4.440 5.545 1.00 0.00 C ATOM 546 C CYS A 34 2.458 -3.464 6.709 1.00 0.00 C ATOM 547 O CYS A 34 3.238 -2.522 6.831 1.00 0.00 O ATOM 548 CB CYS A 34 1.575 -4.083 4.458 1.00 0.00 C ATOM 549 SG CYS A 34 1.856 -4.920 2.880 1.00 0.00 S ATOM 0 H CYS A 34 1.696 -6.325 5.458 1.00 0.00 H new ATOM 0 HA CYS A 34 3.598 -4.367 5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.575 -4.331 4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.597 -3.006 4.294 1.00 0.00 H new ATOM 0 HG CYS A 34 1.210 -6.048 2.866 1.00 0.00 H new ATOM 555 N ALA A 35 1.472 -3.702 7.574 1.00 0.00 N ATOM 556 CA ALA A 35 1.258 -2.831 8.725 1.00 0.00 C ATOM 557 C ALA A 35 2.473 -2.824 9.641 1.00 0.00 C ATOM 558 O ALA A 35 2.776 -1.820 10.284 1.00 0.00 O ATOM 559 CB ALA A 35 0.012 -3.255 9.489 1.00 0.00 C ATOM 0 H ALA A 35 0.817 -4.481 7.500 1.00 0.00 H new ATOM 0 HA ALA A 35 1.111 -1.815 8.357 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.133 -2.595 10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.856 -3.194 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.131 -4.281 9.838 1.00 0.00 H new ATOM 565 N GLY A 36 3.166 -3.949 9.684 1.00 0.00 N ATOM 566 CA GLY A 36 4.351 -4.062 10.514 1.00 0.00 C ATOM 567 C GLY A 36 5.573 -3.465 9.849 1.00 0.00 C ATOM 568 O GLY A 36 6.558 -3.140 10.514 1.00 0.00 O ATOM 0 H GLY A 36 2.930 -4.791 9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.175 -3.560 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.537 -5.112 10.737 1.00 0.00 H new ATOM 572 N LYS A 37 5.502 -3.311 8.534 1.00 0.00 N ATOM 573 CA LYS A 37 6.594 -2.740 7.766 1.00 0.00 C ATOM 574 C LYS A 37 6.571 -1.222 7.870 1.00 0.00 C ATOM 575 O LYS A 37 7.581 -0.554 7.649 1.00 0.00 O ATOM 576 CB LYS A 37 6.502 -3.169 6.303 1.00 0.00 C ATOM 577 CG LYS A 37 5.864 -4.533 6.116 1.00 0.00 C ATOM 578 CD LYS A 37 6.559 -5.598 6.947 1.00 0.00 C ATOM 579 CE LYS A 37 7.540 -6.379 6.107 1.00 0.00 C ATOM 580 NZ LYS A 37 8.125 -7.528 6.852 1.00 0.00 N ATOM 0 H LYS A 37 4.691 -3.577 7.975 1.00 0.00 H new ATOM 0 HA LYS A 37 7.535 -3.108 8.176 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.926 -2.427 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.503 -3.182 5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.811 -4.484 6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.902 -4.811 5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.080 -5.131 7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.818 -6.275 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.038 -6.746 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.340 -5.717 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.793 -8.036 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.626 -7.177 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.365 -8.174 7.146 1.00 0.00 H new ATOM 594 N LEU A 38 5.401 -0.685 8.207 1.00 0.00 N ATOM 595 CA LEU A 38 5.224 0.751 8.342 1.00 0.00 C ATOM 596 C LEU A 38 5.613 1.225 9.727 1.00 0.00 C ATOM 597 O LEU A 38 6.179 2.300 9.871 1.00 0.00 O ATOM 598 CB LEU A 38 3.768 1.125 8.078 1.00 0.00 C ATOM 599 CG LEU A 38 3.384 1.234 6.607 1.00 0.00 C ATOM 600 CD1 LEU A 38 2.683 -0.031 6.144 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.510 2.461 6.381 1.00 0.00 C ATOM 0 H LEU A 38 4.559 -1.230 8.392 1.00 0.00 H new ATOM 0 HA LEU A 38 5.872 1.236 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.127 0.381 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.561 2.079 8.563 1.00 0.00 H new ATOM 0 HG LEU A 38 4.291 1.349 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.416 0.065 5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.349 -0.884 6.273 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.780 -0.183 6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.242 2.528 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.604 2.378 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.058 3.357 6.674 1.00 0.00 H new ATOM 613 N THR A 39 5.293 0.431 10.749 1.00 0.00 N ATOM 614 CA THR A 39 5.593 0.803 12.132 1.00 0.00 C ATOM 615 C THR A 39 6.970 1.439 12.240 1.00 0.00 C ATOM 616 O THR A 39 7.206 2.299 13.090 1.00 0.00 O ATOM 617 CB THR A 39 5.471 -0.404 13.059 1.00 0.00 C ATOM 618 OG1 THR A 39 5.240 -1.593 12.323 1.00 0.00 O ATOM 619 CG2 THR A 39 4.357 -0.261 14.067 1.00 0.00 C ATOM 0 H THR A 39 4.828 -0.471 10.646 1.00 0.00 H new ATOM 0 HA THR A 39 4.859 1.544 12.448 1.00 0.00 H new ATOM 0 HB THR A 39 6.422 -0.458 13.590 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.040 -1.817 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.320 -1.150 14.697 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.538 0.617 14.688 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.407 -0.146 13.545 1.00 0.00 H new ATOM 627 N ALA A 40 7.860 1.044 11.344 1.00 0.00 N ATOM 628 CA ALA A 40 9.192 1.611 11.306 1.00 0.00 C ATOM 629 C ALA A 40 9.247 2.745 10.294 1.00 0.00 C ATOM 630 O ALA A 40 10.278 2.974 9.662 1.00 0.00 O ATOM 631 CB ALA A 40 10.238 0.565 10.955 1.00 0.00 C ATOM 0 H ALA A 40 7.681 0.333 10.635 1.00 0.00 H new ATOM 0 HA ALA A 40 9.416 1.993 12.302 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.224 1.029 10.936 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.224 -0.228 11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.017 0.144 9.974 1.00 0.00 H new ATOM 637 N SER A 41 8.128 3.446 10.128 1.00 0.00 N ATOM 638 CA SER A 41 8.055 4.541 9.178 1.00 0.00 C ATOM 639 C SER A 41 9.206 5.513 9.386 1.00 0.00 C ATOM 640 O SER A 41 9.606 6.215 8.458 1.00 0.00 O ATOM 641 CB SER A 41 6.706 5.247 9.273 1.00 0.00 C ATOM 642 OG SER A 41 6.775 6.563 8.751 1.00 0.00 O ATOM 0 H SER A 41 7.263 3.272 10.640 1.00 0.00 H new ATOM 0 HA SER A 41 8.146 4.131 8.172 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.955 4.676 8.727 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.385 5.283 10.314 1.00 0.00 H new ATOM 0 HG SER A 41 6.089 6.677 8.060 1.00 0.00 H new ATOM 648 N ASN A 42 9.786 5.508 10.590 1.00 0.00 N ATOM 649 CA ASN A 42 10.943 6.347 10.868 1.00 0.00 C ATOM 650 C ASN A 42 11.970 6.116 9.764 1.00 0.00 C ATOM 651 O ASN A 42 12.732 7.008 9.392 1.00 0.00 O ATOM 652 CB ASN A 42 11.537 5.998 12.231 1.00 0.00 C ATOM 653 CG ASN A 42 12.003 7.224 12.991 1.00 0.00 C ATOM 654 OD1 ASN A 42 11.470 8.319 12.813 1.00 0.00 O ATOM 655 ND2 ASN A 42 13.003 7.046 13.846 1.00 0.00 N ATOM 0 H ASN A 42 9.474 4.938 11.376 1.00 0.00 H new ATOM 0 HA ASN A 42 10.649 7.396 10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.791 5.468 12.824 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.378 5.318 12.094 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.358 7.835 14.386 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.416 6.121 13.962 1.00 0.00 H new ATOM 662 N SER A 43 11.920 4.904 9.209 1.00 0.00 N ATOM 663 CA SER A 43 12.755 4.504 8.114 1.00 0.00 C ATOM 664 C SER A 43 11.905 4.559 6.855 1.00 0.00 C ATOM 665 O SER A 43 11.488 3.527 6.329 1.00 0.00 O ATOM 666 CB SER A 43 13.298 3.091 8.331 1.00 0.00 C ATOM 667 OG SER A 43 12.263 2.127 8.239 1.00 0.00 O ATOM 0 H SER A 43 11.282 4.173 9.525 1.00 0.00 H new ATOM 0 HA SER A 43 13.614 5.169 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.067 2.876 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.773 3.027 9.310 1.00 0.00 H new ATOM 0 HG SER A 43 11.483 2.436 8.745 1.00 0.00 H new ATOM 673 N GLU A 44 11.614 5.774 6.398 1.00 0.00 N ATOM 674 CA GLU A 44 10.769 5.960 5.227 1.00 0.00 C ATOM 675 C GLU A 44 11.336 5.222 4.039 1.00 0.00 C ATOM 676 O GLU A 44 10.611 4.841 3.132 1.00 0.00 O ATOM 677 CB GLU A 44 10.632 7.444 4.895 1.00 0.00 C ATOM 678 CG GLU A 44 11.798 8.014 4.103 1.00 0.00 C ATOM 679 CD GLU A 44 12.162 9.422 4.532 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.257 10.283 4.572 1.00 0.00 O ATOM 681 OE2 GLU A 44 13.350 9.665 4.828 1.00 0.00 O ATOM 0 H GLU A 44 11.950 6.640 6.820 1.00 0.00 H new ATOM 0 HA GLU A 44 9.783 5.556 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.713 7.595 4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.529 8.005 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.666 7.366 4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.546 8.015 3.043 1.00 0.00 H new ATOM 688 N ASN A 45 12.634 5.002 4.068 1.00 0.00 N ATOM 689 CA ASN A 45 13.298 4.275 2.997 1.00 0.00 C ATOM 690 C ASN A 45 12.821 2.831 2.993 1.00 0.00 C ATOM 691 O ASN A 45 12.654 2.200 1.947 1.00 0.00 O ATOM 692 CB ASN A 45 14.818 4.331 3.173 1.00 0.00 C ATOM 693 CG ASN A 45 15.510 5.034 2.023 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.234 6.104 2.333 1.00 0.00 O flip ATOM 695 ND2 ASN A 45 15.394 4.623 0.868 1.00 0.00 N flip ATOM 0 H ASN A 45 13.252 5.314 4.817 1.00 0.00 H new ATOM 0 HA ASN A 45 13.048 4.740 2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.054 4.846 4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.208 3.317 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.828 3.797 0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.864 5.109 0.104 1.00 0.00 H new ATOM 702 N SER A 46 12.580 2.339 4.189 1.00 0.00 N ATOM 703 CA SER A 46 12.097 0.989 4.400 1.00 0.00 C ATOM 704 C SER A 46 10.598 0.933 4.179 1.00 0.00 C ATOM 705 O SER A 46 10.049 -0.065 3.709 1.00 0.00 O ATOM 706 CB SER A 46 12.443 0.539 5.814 1.00 0.00 C ATOM 707 OG SER A 46 12.595 -0.868 5.885 1.00 0.00 O ATOM 0 H SER A 46 12.715 2.868 5.050 1.00 0.00 H new ATOM 0 HA SER A 46 12.576 0.318 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.365 1.023 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.659 0.857 6.501 1.00 0.00 H new ATOM 0 HG SER A 46 12.818 -1.127 6.803 1.00 0.00 H new ATOM 713 N TYR A 47 9.958 2.048 4.487 1.00 0.00 N ATOM 714 CA TYR A 47 8.551 2.212 4.310 1.00 0.00 C ATOM 715 C TYR A 47 8.337 2.571 2.853 1.00 0.00 C ATOM 716 O TYR A 47 7.279 2.326 2.294 1.00 0.00 O ATOM 717 CB TYR A 47 8.047 3.264 5.313 1.00 0.00 C ATOM 718 CG TYR A 47 7.011 4.233 4.807 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.364 5.265 3.956 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.687 4.133 5.214 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.424 6.174 3.516 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.741 5.034 4.776 1.00 0.00 C ATOM 723 CZ TYR A 47 5.111 6.051 3.928 1.00 0.00 C ATOM 724 OH TYR A 47 4.167 6.947 3.496 1.00 0.00 O ATOM 0 H TYR A 47 10.422 2.870 4.873 1.00 0.00 H new ATOM 0 HA TYR A 47 7.973 1.311 4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.633 2.742 6.176 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.905 3.836 5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.390 5.360 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.395 3.338 5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.713 6.977 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.714 4.942 5.097 1.00 0.00 H new ATOM 0 HH TYR A 47 3.888 7.514 4.245 1.00 0.00 H new ATOM 734 N ILE A 48 9.416 3.103 2.251 1.00 0.00 N ATOM 735 CA ILE A 48 9.461 3.466 0.842 1.00 0.00 C ATOM 736 C ILE A 48 9.434 2.214 0.007 1.00 0.00 C ATOM 737 O ILE A 48 8.890 2.201 -1.088 1.00 0.00 O ATOM 738 CB ILE A 48 10.765 4.247 0.493 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.601 5.760 0.664 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.220 3.936 -0.925 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.186 6.164 0.934 1.00 0.00 C ATOM 0 H ILE A 48 10.288 3.291 2.745 1.00 0.00 H new ATOM 0 HA ILE A 48 8.600 4.101 0.635 1.00 0.00 H new ATOM 0 HB ILE A 48 11.526 3.913 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.233 6.099 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.952 6.263 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.131 4.492 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.416 2.868 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.440 4.225 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.132 7.247 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.554 5.853 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 8.840 5.687 1.851 1.00 0.00 H new ATOM 753 N GLU A 49 10.029 1.160 0.530 1.00 0.00 N ATOM 754 CA GLU A 49 10.052 -0.081 -0.181 1.00 0.00 C ATOM 755 C GLU A 49 8.658 -0.626 -0.184 1.00 0.00 C ATOM 756 O GLU A 49 8.045 -0.762 -1.237 1.00 0.00 O ATOM 757 CB GLU A 49 11.043 -1.053 0.454 1.00 0.00 C ATOM 758 CG GLU A 49 12.319 -0.370 0.913 1.00 0.00 C ATOM 759 CD GLU A 49 13.569 -1.125 0.504 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.846 -2.185 1.105 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.271 -0.658 -0.417 1.00 0.00 O ATOM 0 H GLU A 49 10.496 1.148 1.437 1.00 0.00 H new ATOM 0 HA GLU A 49 10.388 0.069 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.571 -1.543 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.292 -1.834 -0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.356 0.637 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.301 -0.267 1.998 1.00 0.00 H new ATOM 768 N VAL A 50 8.129 -0.866 1.006 1.00 0.00 N ATOM 769 CA VAL A 50 6.769 -1.329 1.117 1.00 0.00 C ATOM 770 C VAL A 50 5.831 -0.284 0.525 1.00 0.00 C ATOM 771 O VAL A 50 4.715 -0.596 0.113 1.00 0.00 O ATOM 772 CB VAL A 50 6.371 -1.627 2.577 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.511 -0.380 3.434 1.00 0.00 C ATOM 774 CG2 VAL A 50 4.952 -2.173 2.645 1.00 0.00 C ATOM 0 H VAL A 50 8.619 -0.748 1.893 1.00 0.00 H new ATOM 0 HA VAL A 50 6.688 -2.265 0.564 1.00 0.00 H new ATOM 0 HB VAL A 50 7.047 -2.387 2.969 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.226 -0.610 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.546 -0.038 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.862 0.404 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.690 -2.377 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.259 -1.439 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.889 -3.095 2.067 1.00 0.00 H new ATOM 784 N ILE A 51 6.311 0.961 0.451 1.00 0.00 N ATOM 785 CA ILE A 51 5.533 2.040 -0.128 1.00 0.00 C ATOM 786 C ILE A 51 5.638 1.970 -1.647 1.00 0.00 C ATOM 787 O ILE A 51 4.687 2.287 -2.368 1.00 0.00 O ATOM 788 CB ILE A 51 5.983 3.426 0.432 1.00 0.00 C ATOM 789 CG1 ILE A 51 4.981 3.912 1.476 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.140 4.480 -0.655 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.529 3.827 1.027 1.00 0.00 C ATOM 0 H ILE A 51 7.234 1.238 0.786 1.00 0.00 H new ATOM 0 HA ILE A 51 4.486 1.925 0.152 1.00 0.00 H new ATOM 0 HB ILE A 51 6.964 3.283 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.105 3.323 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.211 4.946 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.454 5.422 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.891 4.152 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.187 4.621 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.880 4.190 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.387 4.439 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.279 2.791 0.799 1.00 0.00 H new ATOM 803 N SER A 52 6.788 1.499 -2.124 1.00 0.00 N ATOM 804 CA SER A 52 7.010 1.331 -3.541 1.00 0.00 C ATOM 805 C SER A 52 6.200 0.141 -4.023 1.00 0.00 C ATOM 806 O SER A 52 5.736 0.101 -5.163 1.00 0.00 O ATOM 807 CB SER A 52 8.500 1.147 -3.836 1.00 0.00 C ATOM 808 OG SER A 52 8.724 0.110 -4.778 1.00 0.00 O ATOM 0 H SER A 52 7.579 1.228 -1.539 1.00 0.00 H new ATOM 0 HA SER A 52 6.685 2.224 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.914 2.081 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.029 0.919 -2.911 1.00 0.00 H new ATOM 0 HG SER A 52 9.624 -0.256 -4.653 1.00 0.00 H new ATOM 814 N LEU A 53 6.027 -0.825 -3.123 1.00 0.00 N ATOM 815 CA LEU A 53 5.265 -2.018 -3.421 1.00 0.00 C ATOM 816 C LEU A 53 3.782 -1.723 -3.346 1.00 0.00 C ATOM 817 O LEU A 53 3.026 -2.099 -4.224 1.00 0.00 O ATOM 818 CB LEU A 53 5.607 -3.154 -2.458 1.00 0.00 C ATOM 819 CG LEU A 53 7.017 -3.110 -1.898 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.295 -4.327 -1.029 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.035 -2.999 -3.022 1.00 0.00 C ATOM 0 H LEU A 53 6.410 -0.796 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 53 5.526 -2.333 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.901 -3.133 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.465 -4.104 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 53 7.107 -2.224 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.312 -4.272 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.589 -4.350 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.183 -5.233 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.040 -2.969 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.944 -3.862 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.852 -2.087 -3.590 1.00 0.00 H new ATOM 833 N LEU A 54 3.376 -1.048 -2.276 1.00 0.00 N ATOM 834 CA LEU A 54 1.974 -0.710 -2.067 1.00 0.00 C ATOM 835 C LEU A 54 1.328 -0.135 -3.324 1.00 0.00 C ATOM 836 O LEU A 54 0.289 -0.627 -3.768 1.00 0.00 O ATOM 837 CB LEU A 54 1.833 0.251 -0.888 1.00 0.00 C ATOM 838 CG LEU A 54 1.833 -0.417 0.498 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.474 -0.265 1.164 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.213 -1.896 0.398 1.00 0.00 C ATOM 0 H LEU A 54 4.001 -0.723 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 54 1.442 -1.632 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.649 0.973 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.906 0.812 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 54 2.582 0.085 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.493 -0.744 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.243 0.794 1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.289 -0.736 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.205 -2.342 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.495 -2.414 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.210 -1.987 -0.032 1.00 0.00 H new ATOM 852 N SER A 55 1.943 0.888 -3.907 1.00 0.00 N ATOM 853 CA SER A 55 1.410 1.495 -5.123 1.00 0.00 C ATOM 854 C SER A 55 1.598 0.556 -6.314 1.00 0.00 C ATOM 855 O SER A 55 2.329 0.870 -7.254 1.00 0.00 O ATOM 856 CB SER A 55 2.092 2.836 -5.394 1.00 0.00 C ATOM 857 OG SER A 55 3.502 2.705 -5.380 1.00 0.00 O ATOM 0 H SER A 55 2.804 1.312 -3.562 1.00 0.00 H new ATOM 0 HA SER A 55 0.343 1.670 -4.982 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.770 3.222 -6.361 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.784 3.562 -4.642 1.00 0.00 H new ATOM 0 HG SER A 55 3.782 2.106 -6.103 1.00 0.00 H new ATOM 863 N ARG A 56 0.934 -0.603 -6.245 1.00 0.00 N ATOM 864 CA ARG A 56 0.997 -1.643 -7.283 1.00 0.00 C ATOM 865 C ARG A 56 0.983 -3.020 -6.618 1.00 0.00 C ATOM 866 O ARG A 56 0.511 -4.003 -7.189 1.00 0.00 O ATOM 867 CB ARG A 56 2.254 -1.497 -8.158 1.00 0.00 C ATOM 868 CG ARG A 56 2.555 -2.713 -9.025 1.00 0.00 C ATOM 869 CD ARG A 56 3.845 -3.396 -8.598 1.00 0.00 C ATOM 870 NE ARG A 56 4.097 -4.621 -9.356 1.00 0.00 N ATOM 871 CZ ARG A 56 3.597 -5.813 -9.035 1.00 0.00 C ATOM 872 NH1 ARG A 56 2.803 -5.946 -7.980 1.00 0.00 N ATOM 873 NH2 ARG A 56 3.891 -6.874 -9.774 1.00 0.00 N ATOM 0 H ARG A 56 0.331 -0.850 -5.460 1.00 0.00 H new ATOM 0 HA ARG A 56 0.129 -1.531 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.136 -0.626 -8.802 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.111 -1.303 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.729 -3.421 -8.960 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.632 -2.407 -10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.680 -2.709 -8.733 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.795 -3.632 -7.535 1.00 0.00 H new ATOM 0 HE ARG A 56 4.693 -4.559 -10.182 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.572 -5.133 -7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.423 -6.862 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.499 -6.777 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 56 3.509 -7.788 -9.529 1.00 0.00 H new ATOM 887 N GLY A 57 1.503 -3.063 -5.397 1.00 0.00 N ATOM 888 CA GLY A 57 1.559 -4.293 -4.631 1.00 0.00 C ATOM 889 C GLY A 57 0.194 -4.736 -4.168 1.00 0.00 C ATOM 890 O GLY A 57 -0.237 -5.854 -4.451 1.00 0.00 O ATOM 0 H GLY A 57 1.893 -2.252 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.007 -5.078 -5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.207 -4.151 -3.766 1.00 0.00 H new ATOM 894 N ILE A 58 -0.489 -3.852 -3.456 1.00 0.00 N ATOM 895 CA ILE A 58 -1.819 -4.150 -2.949 1.00 0.00 C ATOM 896 C ILE A 58 -2.839 -4.164 -4.086 1.00 0.00 C ATOM 897 O ILE A 58 -3.752 -3.343 -4.139 1.00 0.00 O ATOM 898 CB ILE A 58 -2.230 -3.141 -1.847 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.717 -3.284 -1.486 1.00 0.00 C ATOM 900 CG2 ILE A 58 -1.895 -1.716 -2.264 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.595 -2.120 -1.915 1.00 0.00 C ATOM 0 H ILE A 58 -0.144 -2.923 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.797 -5.143 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.654 -3.370 -0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.100 -4.197 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.804 -3.407 -0.406 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.193 -1.026 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.822 -1.630 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.430 -1.470 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.626 -2.312 -1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.244 -1.205 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.546 -2.007 -2.998 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.950 -5.242 -0.839 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.524 -4.353 0.170 1.00 0.00 C ATOM 1111 C PRO A 70 -13.103 -2.902 -0.037 1.00 0.00 C ATOM 1112 O PRO A 70 -12.332 -2.592 -0.945 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.957 -4.880 1.501 1.00 0.00 C ATOM 1114 CG PRO A 70 -12.217 -6.133 1.166 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.847 -6.035 -0.284 1.00 0.00 C ATOM 0 HA PRO A 70 -14.613 -4.354 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.294 -4.147 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.757 -5.078 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.327 -6.236 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.837 -7.010 1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.884 -5.545 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.777 -7.017 -0.752 1.00 0.00 H new ATOM 1123 N SER A 71 -13.607 -2.017 0.816 1.00 0.00 N ATOM 1124 CA SER A 71 -13.276 -0.602 0.731 1.00 0.00 C ATOM 1125 C SER A 71 -11.817 -0.374 1.112 1.00 0.00 C ATOM 1126 O SER A 71 -11.124 0.445 0.502 1.00 0.00 O ATOM 1127 CB SER A 71 -14.188 0.215 1.648 1.00 0.00 C ATOM 1128 OG SER A 71 -15.417 -0.454 1.871 1.00 0.00 O ATOM 0 H SER A 71 -14.246 -2.256 1.574 1.00 0.00 H new ATOM 0 HA SER A 71 -13.427 -0.275 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.688 0.391 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.377 1.191 1.202 1.00 0.00 H new ATOM 0 HG SER A 71 -15.982 0.087 2.461 1.00 0.00 H new ATOM 1134 N SER A 72 -11.361 -1.105 2.126 1.00 0.00 N ATOM 1135 CA SER A 72 -9.983 -1.007 2.608 1.00 0.00 C ATOM 1136 C SER A 72 -8.958 -1.457 1.561 1.00 0.00 C ATOM 1137 O SER A 72 -7.921 -2.026 1.902 1.00 0.00 O ATOM 1138 CB SER A 72 -9.814 -1.813 3.890 1.00 0.00 C ATOM 1139 OG SER A 72 -9.584 -3.183 3.609 1.00 0.00 O ATOM 0 H SER A 72 -11.932 -1.779 2.636 1.00 0.00 H new ATOM 0 HA SER A 72 -9.791 0.047 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.980 -1.413 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.707 -1.711 4.507 1.00 0.00 H new ATOM 0 HG SER A 72 -10.427 -3.610 3.351 1.00 0.00 H new ATOM 1145 N MET A 73 -9.243 -1.186 0.298 1.00 0.00 N ATOM 1146 CA MET A 73 -8.348 -1.534 -0.797 1.00 0.00 C ATOM 1147 C MET A 73 -8.213 -0.339 -1.735 1.00 0.00 C ATOM 1148 O MET A 73 -7.195 -0.164 -2.405 1.00 0.00 O ATOM 1149 CB MET A 73 -8.874 -2.756 -1.557 1.00 0.00 C ATOM 1150 CG MET A 73 -7.967 -3.972 -1.450 1.00 0.00 C ATOM 1151 SD MET A 73 -7.608 -4.419 0.259 1.00 0.00 S ATOM 1152 CE MET A 73 -5.914 -3.858 0.403 1.00 0.00 C ATOM 0 H MET A 73 -10.100 -0.719 0.001 1.00 0.00 H new ATOM 0 HA MET A 73 -7.368 -1.787 -0.392 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.862 -3.014 -1.175 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.997 -2.495 -2.608 1.00 0.00 H new ATOM 0 HG2 MET A 73 -8.438 -4.817 -1.952 1.00 0.00 H new ATOM 0 HG3 MET A 73 -7.032 -3.771 -1.973 1.00 0.00 H new ATOM 0 HE1 MET A 73 -5.506 -4.175 1.363 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.319 -4.287 -0.403 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.884 -2.770 0.337 1.00 0.00 H new ATOM 1162 N LEU A 74 -9.258 0.482 -1.757 1.00 0.00 N ATOM 1163 CA LEU A 74 -9.302 1.677 -2.578 1.00 0.00 C ATOM 1164 C LEU A 74 -8.898 2.900 -1.779 1.00 0.00 C ATOM 1165 O LEU A 74 -8.556 3.929 -2.344 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.707 1.876 -3.099 1.00 0.00 C ATOM 1167 CG LEU A 74 -11.091 0.958 -4.253 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -9.957 0.851 -5.262 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -11.481 -0.416 -3.727 1.00 0.00 C ATOM 0 H LEU A 74 -10.100 0.332 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.603 1.550 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -11.409 1.722 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.817 2.911 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.952 1.389 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.255 0.190 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.731 1.840 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.071 0.446 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.753 -1.062 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -10.639 -0.853 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.331 -0.319 -3.051 1.00 0.00 H new ATOM 1181 N THR A 75 -8.970 2.784 -0.461 1.00 0.00 N ATOM 1182 CA THR A 75 -8.630 3.887 0.419 1.00 0.00 C ATOM 1183 C THR A 75 -7.131 3.951 0.661 1.00 0.00 C ATOM 1184 O THR A 75 -6.515 5.010 0.549 1.00 0.00 O ATOM 1185 CB THR A 75 -9.390 3.748 1.751 1.00 0.00 C ATOM 1186 OG1 THR A 75 -9.738 5.021 2.267 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.624 3.006 2.836 1.00 0.00 C ATOM 0 H THR A 75 -9.262 1.934 0.021 1.00 0.00 H new ATOM 0 HA THR A 75 -8.928 4.818 -0.063 1.00 0.00 H new ATOM 0 HB THR A 75 -10.273 3.159 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.221 4.910 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.232 2.954 3.739 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.395 1.997 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.696 3.535 3.053 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.551 2.814 0.999 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.126 2.744 1.262 1.00 0.00 C ATOM 1197 C ILE A 76 -4.336 3.006 -0.007 1.00 0.00 C ATOM 1198 O ILE A 76 -3.617 3.996 -0.111 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.728 1.371 1.836 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.516 1.089 3.117 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.228 1.305 2.090 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.506 -0.047 2.979 1.00 0.00 C ATOM 0 H ILE A 76 -7.045 1.927 1.098 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.893 3.511 2.000 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.973 0.602 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.817 0.856 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.050 1.992 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.970 0.326 2.495 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.693 1.462 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.945 2.079 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.029 -0.191 3.925 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.228 0.192 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.976 -0.962 2.715 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.493 2.118 -0.977 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.815 2.252 -2.256 1.00 0.00 C ATOM 1216 C TYR A 77 -3.949 3.680 -2.782 1.00 0.00 C ATOM 1217 O TYR A 77 -3.076 4.183 -3.485 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.421 1.264 -3.248 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.875 1.390 -4.645 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -4.257 2.440 -5.465 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.985 0.454 -5.142 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -3.763 2.556 -6.750 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -2.481 0.559 -6.423 1.00 0.00 C ATOM 1224 CZ TYR A 77 -2.873 1.612 -7.224 1.00 0.00 C ATOM 1225 OH TYR A 77 -2.377 1.721 -8.502 1.00 0.00 O ATOM 0 H TYR A 77 -5.088 1.293 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.755 2.035 -2.128 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.244 0.250 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.501 1.409 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.952 3.179 -5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.680 -0.372 -4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.070 3.378 -7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.785 -0.178 -6.796 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.763 0.978 -8.679 1.00 0.00 H new ATOM 1235 N THR A 78 -5.055 4.320 -2.423 1.00 0.00 N ATOM 1236 CA THR A 78 -5.333 5.688 -2.836 1.00 0.00 C ATOM 1237 C THR A 78 -4.575 6.687 -1.971 1.00 0.00 C ATOM 1238 O THR A 78 -4.224 7.776 -2.416 1.00 0.00 O ATOM 1239 CB THR A 78 -6.839 5.949 -2.731 1.00 0.00 C ATOM 1240 OG1 THR A 78 -7.350 6.476 -3.941 1.00 0.00 O ATOM 1241 CG2 THR A 78 -7.218 6.899 -1.616 1.00 0.00 C ATOM 0 H THR A 78 -5.782 3.906 -1.839 1.00 0.00 H new ATOM 0 HA THR A 78 -5.003 5.815 -3.867 1.00 0.00 H new ATOM 0 HB THR A 78 -7.275 4.974 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.313 6.632 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.300 7.034 -1.605 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.894 6.486 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.734 7.862 -1.778 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.344 6.301 -0.730 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.649 7.149 0.224 1.00 0.00 C ATOM 1251 C GLN A 79 -2.151 7.060 0.013 1.00 0.00 C ATOM 1252 O GLN A 79 -1.399 7.982 0.330 1.00 0.00 O ATOM 1253 CB GLN A 79 -4.002 6.746 1.657 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.332 7.306 2.133 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.237 8.765 2.538 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -5.312 9.658 1.558 1.00 0.00 O flip ATOM 1257 NE2 GLN A 79 -5.098 9.085 3.718 1.00 0.00 N flip ATOM 0 H GLN A 79 -4.630 5.397 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.967 8.179 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.030 5.658 1.724 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.213 7.087 2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.072 7.200 1.340 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.687 6.719 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.045 8.365 4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.036 10.070 3.975 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.740 5.937 -0.541 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.357 5.670 -0.831 1.00 0.00 C ATOM 1268 C ILE A 80 0.149 6.642 -1.892 1.00 0.00 C ATOM 1269 O ILE A 80 1.221 7.234 -1.755 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.245 4.208 -1.301 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.093 3.305 -0.124 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.743 4.031 -2.425 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -1.108 2.541 0.372 1.00 0.00 C ATOM 0 H ILE A 80 -2.370 5.179 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 80 0.261 5.810 0.056 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.217 3.920 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.872 2.602 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.499 3.907 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.780 2.981 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.434 4.633 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.731 4.351 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.817 1.911 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.878 3.242 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.499 1.917 -0.431 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.648 6.814 -2.937 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.309 7.719 -4.018 1.00 0.00 C ATOM 1287 C GLN A 81 -0.591 9.164 -3.620 1.00 0.00 C ATOM 1288 O GLN A 81 0.013 10.095 -4.148 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.088 7.342 -5.275 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.654 6.006 -5.855 1.00 0.00 C ATOM 1291 CD GLN A 81 -1.701 4.923 -5.692 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -1.257 3.734 -5.297 1.00 0.00 O flip ATOM 1293 NE2 GLN A 81 -2.889 5.149 -5.915 1.00 0.00 N flip ATOM 0 H GLN A 81 -1.540 6.333 -3.056 1.00 0.00 H new ATOM 0 HA GLN A 81 0.757 7.631 -4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.152 7.303 -5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -0.956 8.120 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.430 6.131 -6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.269 5.688 -5.370 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.184 6.078 -6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.580 4.408 -5.798 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.507 9.341 -2.677 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.866 10.665 -2.192 1.00 0.00 C ATOM 1304 C LYS A 82 -0.745 11.269 -1.386 1.00 0.00 C ATOM 1305 O LYS A 82 -0.555 12.478 -1.379 1.00 0.00 O ATOM 1306 CB LYS A 82 -3.113 10.589 -1.322 1.00 0.00 C ATOM 1307 CG LYS A 82 -4.256 11.418 -1.854 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.924 10.717 -3.021 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.437 10.701 -2.877 1.00 0.00 C ATOM 1310 NZ LYS A 82 -7.120 10.575 -4.195 1.00 0.00 N ATOM 0 H LYS A 82 -2.017 8.579 -2.231 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.059 11.294 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.431 9.550 -1.244 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.867 10.924 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.985 11.594 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.888 12.394 -2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.652 11.218 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.554 9.694 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.732 9.871 -2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.764 11.617 -2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.150 10.568 -4.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.859 11.380 -4.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.828 9.689 -4.654 1.00 0.00 H new ATOM 1324 N ASP A 83 0.013 10.418 -0.735 1.00 0.00 N ATOM 1325 CA ASP A 83 1.140 10.869 0.049 1.00 0.00 C ATOM 1326 C ASP A 83 2.261 11.156 -0.913 1.00 0.00 C ATOM 1327 O ASP A 83 3.038 12.097 -0.754 1.00 0.00 O ATOM 1328 CB ASP A 83 1.559 9.799 1.052 1.00 0.00 C ATOM 1329 CG ASP A 83 0.408 9.337 1.925 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.647 10.008 1.922 1.00 0.00 O ATOM 1331 OD2 ASP A 83 0.560 8.305 2.613 1.00 0.00 O ATOM 0 H ASP A 83 -0.130 9.408 -0.732 1.00 0.00 H new ATOM 0 HA ASP A 83 0.880 11.762 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.969 8.944 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.356 10.191 1.684 1.00 0.00 H new ATOM 1336 N ILE A 84 2.291 10.330 -1.944 1.00 0.00 N ATOM 1337 CA ILE A 84 3.253 10.444 -3.000 1.00 0.00 C ATOM 1338 C ILE A 84 3.074 11.780 -3.720 1.00 0.00 C ATOM 1339 O ILE A 84 3.994 12.593 -3.791 1.00 0.00 O ATOM 1340 CB ILE A 84 3.055 9.293 -4.007 1.00 0.00 C ATOM 1341 CG1 ILE A 84 3.516 7.936 -3.447 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.785 9.611 -5.279 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.094 7.998 -2.055 1.00 0.00 C ATOM 0 H ILE A 84 1.637 9.557 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 84 4.256 10.391 -2.576 1.00 0.00 H new ATOM 0 HB ILE A 84 1.987 9.204 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.668 7.251 -3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.264 7.515 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.646 8.798 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.393 10.536 -5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.848 9.731 -5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.392 6.998 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.964 8.654 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.344 8.386 -1.366 1.00 0.00 H new ATOM 1355 N LYS A 85 1.873 11.984 -4.261 1.00 0.00 N ATOM 1356 CA LYS A 85 1.549 13.197 -4.990 1.00 0.00 C ATOM 1357 C LYS A 85 1.502 14.416 -4.086 1.00 0.00 C ATOM 1358 O LYS A 85 1.862 15.518 -4.498 1.00 0.00 O ATOM 1359 CB LYS A 85 0.203 13.041 -5.699 1.00 0.00 C ATOM 1360 CG LYS A 85 0.305 13.170 -7.203 1.00 0.00 C ATOM 1361 CD LYS A 85 1.326 12.196 -7.762 1.00 0.00 C ATOM 1362 CE LYS A 85 1.023 10.771 -7.336 1.00 0.00 C ATOM 1363 NZ LYS A 85 1.851 9.780 -8.076 1.00 0.00 N ATOM 0 H LYS A 85 1.106 11.314 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 85 2.342 13.352 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.220 12.067 -5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.489 13.794 -5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.669 12.982 -7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.587 14.189 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.333 12.258 -8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.323 12.475 -7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.203 10.667 -6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.033 10.559 -7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.613 8.820 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.661 9.861 -9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.858 9.965 -7.895 1.00 0.00 H new ATOM 1377 N ASN A 86 1.038 14.224 -2.863 1.00 0.00 N ATOM 1378 CA ASN A 86 0.931 15.341 -1.929 1.00 0.00 C ATOM 1379 C ASN A 86 2.301 15.804 -1.445 1.00 0.00 C ATOM 1380 O ASN A 86 2.433 16.898 -0.896 1.00 0.00 O ATOM 1381 CB ASN A 86 0.055 14.985 -0.727 1.00 0.00 C ATOM 1382 CG ASN A 86 -1.421 14.954 -1.077 1.00 0.00 C ATOM 1383 OD1 ASN A 86 -1.801 14.563 -2.181 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -2.261 15.366 -0.135 1.00 0.00 N ATOM 0 H ASN A 86 0.733 13.323 -2.494 1.00 0.00 H new ATOM 0 HA ASN A 86 0.461 16.159 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.354 14.012 -0.338 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.222 15.711 0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.265 15.367 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.902 15.682 0.766 1.00 0.00 H new ATOM 1391 N GLY A 87 3.315 14.969 -1.639 1.00 0.00 N ATOM 1392 CA GLY A 87 4.650 15.323 -1.202 1.00 0.00 C ATOM 1393 C GLY A 87 4.875 14.981 0.255 1.00 0.00 C ATOM 1394 O GLY A 87 5.601 15.680 0.962 1.00 0.00 O ATOM 0 H GLY A 87 3.236 14.057 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.384 14.800 -1.815 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.811 16.390 -1.354 1.00 0.00 H new ATOM 1398 N ASN A 88 4.273 13.883 0.693 1.00 0.00 N ATOM 1399 CA ASN A 88 4.426 13.415 2.055 1.00 0.00 C ATOM 1400 C ASN A 88 5.494 12.339 2.070 1.00 0.00 C ATOM 1401 O ASN A 88 6.133 12.071 3.088 1.00 0.00 O ATOM 1402 CB ASN A 88 3.101 12.865 2.591 1.00 0.00 C ATOM 1403 CG ASN A 88 2.626 13.604 3.828 1.00 0.00 C ATOM 1404 OD1 ASN A 88 3.384 14.349 4.449 1.00 0.00 O ATOM 1405 ND2 ASN A 88 1.366 13.399 4.191 1.00 0.00 N ATOM 0 H ASN A 88 3.670 13.298 0.115 1.00 0.00 H new ATOM 0 HA ASN A 88 4.722 14.243 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.340 12.937 1.814 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.218 11.807 2.826 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.990 13.868 5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.774 12.773 3.646 1.00 0.00 H new ATOM 1412 N ILE A 89 5.668 11.736 0.902 1.00 0.00 N ATOM 1413 CA ILE A 89 6.617 10.697 0.673 1.00 0.00 C ATOM 1414 C ILE A 89 7.750 11.250 -0.173 1.00 0.00 C ATOM 1415 O ILE A 89 7.629 12.332 -0.746 1.00 0.00 O ATOM 1416 CB ILE A 89 5.908 9.585 -0.095 1.00 0.00 C ATOM 1417 CG1 ILE A 89 4.682 9.072 0.668 1.00 0.00 C ATOM 1418 CG2 ILE A 89 6.858 8.477 -0.394 1.00 0.00 C ATOM 1419 CD1 ILE A 89 4.811 9.110 2.175 1.00 0.00 C ATOM 0 H ILE A 89 5.127 11.977 0.072 1.00 0.00 H new ATOM 0 HA ILE A 89 7.018 10.317 1.612 1.00 0.00 H new ATOM 0 HB ILE A 89 5.552 9.998 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.816 9.666 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.483 8.045 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.339 7.691 -0.942 1.00 0.00 H new ATOM 0 HG22 ILE A 89 7.682 8.857 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.249 8.071 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.896 8.728 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.654 8.492 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.976 10.137 2.500 1.00 0.00 H new ATOM 1431 N ASP A 90 8.837 10.510 -0.279 1.00 0.00 N ATOM 1432 CA ASP A 90 9.950 10.948 -1.087 1.00 0.00 C ATOM 1433 C ASP A 90 10.027 10.062 -2.309 1.00 0.00 C ATOM 1434 O ASP A 90 10.913 9.217 -2.432 1.00 0.00 O ATOM 1435 CB ASP A 90 11.253 10.902 -0.289 1.00 0.00 C ATOM 1436 CG ASP A 90 12.038 12.195 -0.392 1.00 0.00 C ATOM 1437 OD1 ASP A 90 11.479 13.257 -0.049 1.00 0.00 O ATOM 1438 OD2 ASP A 90 13.211 12.145 -0.817 1.00 0.00 O ATOM 0 H ASP A 90 8.969 9.610 0.182 1.00 0.00 H new ATOM 0 HA ASP A 90 9.801 11.983 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.028 10.699 0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.868 10.077 -0.649 1.00 0.00 H new ATOM 1443 N THR A 91 9.060 10.241 -3.199 1.00 0.00 N ATOM 1444 CA THR A 91 8.982 9.441 -4.403 1.00 0.00 C ATOM 1445 C THR A 91 10.292 9.446 -5.173 1.00 0.00 C ATOM 1446 O THR A 91 10.539 8.559 -5.989 1.00 0.00 O ATOM 1447 CB THR A 91 7.820 9.887 -5.281 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.292 11.126 -4.836 1.00 0.00 O ATOM 1449 CG2 THR A 91 6.698 8.879 -5.289 1.00 0.00 C ATOM 0 H THR A 91 8.319 10.936 -3.105 1.00 0.00 H new ATOM 0 HA THR A 91 8.796 8.411 -4.098 1.00 0.00 H new ATOM 0 HB THR A 91 8.222 9.987 -6.289 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.549 11.392 -5.416 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.891 9.238 -5.928 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.067 7.927 -5.671 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.324 8.742 -4.274 1.00 0.00 H new ATOM 1457 N GLU A 92 11.154 10.413 -4.883 1.00 0.00 N ATOM 1458 CA GLU A 92 12.449 10.463 -5.526 1.00 0.00 C ATOM 1459 C GLU A 92 13.242 9.268 -5.049 1.00 0.00 C ATOM 1460 O GLU A 92 13.930 8.607 -5.822 1.00 0.00 O ATOM 1461 CB GLU A 92 13.186 11.767 -5.198 1.00 0.00 C ATOM 1462 CG GLU A 92 12.266 12.925 -4.848 1.00 0.00 C ATOM 1463 CD GLU A 92 12.756 14.249 -5.402 1.00 0.00 C ATOM 1464 OE1 GLU A 92 12.782 14.398 -6.641 1.00 0.00 O ATOM 1465 OE2 GLU A 92 13.114 15.134 -4.598 1.00 0.00 O ATOM 0 H GLU A 92 10.978 11.162 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 92 12.327 10.435 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.864 11.589 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.801 12.050 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.268 12.721 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.178 12.999 -3.764 1.00 0.00 H new ATOM 1472 N LYS A 93 13.083 8.975 -3.765 1.00 0.00 N ATOM 1473 CA LYS A 93 13.726 7.831 -3.159 1.00 0.00 C ATOM 1474 C LYS A 93 13.067 6.576 -3.688 1.00 0.00 C ATOM 1475 O LYS A 93 13.730 5.669 -4.188 1.00 0.00 O ATOM 1476 CB LYS A 93 13.647 7.916 -1.636 1.00 0.00 C ATOM 1477 CG LYS A 93 14.115 9.264 -1.101 1.00 0.00 C ATOM 1478 CD LYS A 93 14.056 9.356 0.420 1.00 0.00 C ATOM 1479 CE LYS A 93 12.905 8.555 1.014 1.00 0.00 C ATOM 1480 NZ LYS A 93 13.305 7.152 1.310 1.00 0.00 N ATOM 0 H LYS A 93 12.508 9.522 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 93 14.785 7.811 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.619 7.740 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.256 7.124 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.138 9.444 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.498 10.053 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.997 8.997 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.955 10.401 0.713 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.561 9.036 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.065 8.555 0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.755 6.798 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.121 6.556 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.319 7.121 1.540 1.00 0.00 H new ATOM 1494 N LEU A 94 11.743 6.562 -3.625 1.00 0.00 N ATOM 1495 CA LEU A 94 10.964 5.464 -4.149 1.00 0.00 C ATOM 1496 C LEU A 94 11.421 5.130 -5.546 1.00 0.00 C ATOM 1497 O LEU A 94 11.652 3.971 -5.880 1.00 0.00 O ATOM 1498 CB LEU A 94 9.512 5.864 -4.198 1.00 0.00 C ATOM 1499 CG LEU A 94 8.735 5.518 -2.954 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.939 6.717 -2.483 1.00 0.00 C ATOM 1501 CD2 LEU A 94 7.837 4.315 -3.214 1.00 0.00 C ATOM 0 H LEU A 94 11.187 7.310 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 94 11.095 4.595 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.448 6.939 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.042 5.379 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 94 9.431 5.249 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.382 6.454 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.618 7.540 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.243 7.021 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.280 4.074 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.139 4.549 -4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.449 3.460 -3.502 1.00 0.00 H new ATOM 1513 N ARG A 95 11.555 6.167 -6.362 1.00 0.00 N ATOM 1514 CA ARG A 95 11.993 5.986 -7.723 1.00 0.00 C ATOM 1515 C ARG A 95 13.349 5.318 -7.737 1.00 0.00 C ATOM 1516 O ARG A 95 13.568 4.371 -8.483 1.00 0.00 O ATOM 1517 CB ARG A 95 12.043 7.337 -8.446 1.00 0.00 C ATOM 1518 CG ARG A 95 13.358 7.606 -9.168 1.00 0.00 C ATOM 1519 CD ARG A 95 13.208 8.564 -10.346 1.00 0.00 C ATOM 1520 NE ARG A 95 11.857 8.570 -10.908 1.00 0.00 N ATOM 1521 CZ ARG A 95 10.895 9.412 -10.531 1.00 0.00 C ATOM 1522 NH1 ARG A 95 11.120 10.315 -9.583 1.00 0.00 N ATOM 1523 NH2 ARG A 95 9.700 9.347 -11.102 1.00 0.00 N ATOM 0 H ARG A 95 11.366 7.134 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 95 11.284 5.346 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.228 7.381 -9.169 1.00 0.00 H new ATOM 0 HB3 ARG A 95 11.869 8.132 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 95 14.076 8.019 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.769 6.662 -9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.466 9.572 -10.022 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.919 8.288 -11.125 1.00 0.00 H new ATOM 0 HE ARG A 95 11.638 7.887 -11.633 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.036 10.368 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.377 10.955 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.519 8.654 -11.828 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.962 9.990 -10.815 1.00 0.00 H new ATOM 1537 N LYS A 96 14.239 5.817 -6.889 1.00 0.00 N ATOM 1538 CA LYS A 96 15.594 5.276 -6.785 1.00 0.00 C ATOM 1539 C LYS A 96 15.536 3.792 -6.476 1.00 0.00 C ATOM 1540 O LYS A 96 16.066 2.953 -7.210 1.00 0.00 O ATOM 1541 CB LYS A 96 16.396 5.996 -5.692 1.00 0.00 C ATOM 1542 CG LYS A 96 16.723 7.455 -5.990 1.00 0.00 C ATOM 1543 CD LYS A 96 16.976 7.695 -7.467 1.00 0.00 C ATOM 1544 CE LYS A 96 18.233 6.986 -7.941 1.00 0.00 C ATOM 1545 NZ LYS A 96 18.543 7.293 -9.365 1.00 0.00 N ATOM 0 H LYS A 96 14.049 6.598 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 96 16.094 5.434 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 96 15.835 5.948 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.329 5.456 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.899 8.086 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.603 7.752 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.120 7.345 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.070 8.765 -7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.074 7.282 -7.315 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.110 5.910 -7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 18.810 6.418 -9.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 17.705 7.706 -9.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 19.331 7.970 -9.411 1.00 0.00 H new ATOM 1559 N TYR A 97 14.873 3.487 -5.380 1.00 0.00 N ATOM 1560 CA TYR A 97 14.710 2.121 -4.936 1.00 0.00 C ATOM 1561 C TYR A 97 13.981 1.298 -5.998 1.00 0.00 C ATOM 1562 O TYR A 97 14.341 0.152 -6.261 1.00 0.00 O ATOM 1563 CB TYR A 97 13.953 2.132 -3.605 1.00 0.00 C ATOM 1564 CG TYR A 97 13.238 0.855 -3.299 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.945 -0.322 -3.122 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.855 0.826 -3.203 1.00 0.00 C ATOM 1567 CE1 TYR A 97 13.298 -1.507 -2.859 1.00 0.00 C ATOM 1568 CE2 TYR A 97 11.201 -0.360 -2.941 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.926 -1.524 -2.771 1.00 0.00 C ATOM 1570 OH TYR A 97 11.276 -2.707 -2.504 1.00 0.00 O ATOM 0 H TYR A 97 14.433 4.179 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 97 15.683 1.652 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.657 2.343 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.229 2.947 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.023 -0.310 -3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.288 1.736 -3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.863 -2.417 -2.723 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.124 -0.379 -2.869 1.00 0.00 H new ATOM 0 HH TYR A 97 11.853 -3.282 -1.959 1.00 0.00 H new ATOM 1580 N GLU A 98 12.977 1.900 -6.621 1.00 0.00 N ATOM 1581 CA GLU A 98 12.220 1.237 -7.675 1.00 0.00 C ATOM 1582 C GLU A 98 13.096 1.047 -8.896 1.00 0.00 C ATOM 1583 O GLU A 98 12.878 0.128 -9.680 1.00 0.00 O ATOM 1584 CB GLU A 98 10.972 2.050 -8.034 1.00 0.00 C ATOM 1585 CG GLU A 98 9.838 1.900 -7.031 1.00 0.00 C ATOM 1586 CD GLU A 98 8.473 2.113 -7.658 1.00 0.00 C ATOM 1587 OE1 GLU A 98 8.403 2.762 -8.722 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.476 1.629 -7.083 1.00 0.00 O ATOM 0 H GLU A 98 12.667 2.849 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 98 11.898 0.260 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.243 3.103 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.619 1.742 -9.018 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.879 0.905 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.977 2.616 -6.221 1.00 0.00 H new ATOM 1595 N ILE A 99 14.117 1.889 -9.043 1.00 0.00 N ATOM 1596 CA ILE A 99 15.033 1.745 -10.161 1.00 0.00 C ATOM 1597 C ILE A 99 15.639 0.370 -10.098 1.00 0.00 C ATOM 1598 O ILE A 99 15.709 -0.358 -11.089 1.00 0.00 O ATOM 1599 CB ILE A 99 16.178 2.766 -10.132 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.633 4.158 -9.886 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.961 2.707 -11.427 1.00 0.00 C ATOM 1602 CD1 ILE A 99 16.661 5.253 -10.017 1.00 0.00 C ATOM 0 H ILE A 99 14.325 2.663 -8.412 1.00 0.00 H new ATOM 0 HA ILE A 99 14.462 1.910 -11.075 1.00 0.00 H new ATOM 0 HB ILE A 99 16.855 2.520 -9.314 1.00 0.00 H new ATOM 0 HG12 ILE A 99 14.823 4.349 -10.590 1.00 0.00 H new ATOM 0 HG13 ILE A 99 15.202 4.196 -8.885 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.771 3.436 -11.396 1.00 0.00 H new ATOM 0 HG22 ILE A 99 17.377 1.708 -11.556 1.00 0.00 H new ATOM 0 HG23 ILE A 99 16.300 2.935 -12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 99 16.191 6.218 -9.826 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.461 5.090 -9.295 1.00 0.00 H new ATOM 0 HD13 ILE A 99 17.075 5.244 -11.025 1.00 0.00 H new ATOM 1614 N ALA A 100 16.062 0.029 -8.895 1.00 0.00 N ATOM 1615 CA ALA A 100 16.662 -1.271 -8.637 1.00 0.00 C ATOM 1616 C ALA A 100 15.769 -2.388 -9.119 1.00 0.00 C ATOM 1617 O ALA A 100 16.241 -3.404 -9.631 1.00 0.00 O ATOM 1618 CB ALA A 100 16.976 -1.433 -7.157 1.00 0.00 C ATOM 0 H ALA A 100 16.002 0.635 -8.077 1.00 0.00 H new ATOM 0 HA ALA A 100 17.597 -1.326 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.424 -2.412 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.673 -0.655 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.056 -1.348 -6.578 1.00 0.00 H new ATOM 1624 N LYS A 101 14.485 -2.207 -8.928 1.00 0.00 N ATOM 1625 CA LYS A 101 13.528 -3.197 -9.308 1.00 0.00 C ATOM 1626 C LYS A 101 13.025 -3.047 -10.739 1.00 0.00 C ATOM 1627 O LYS A 101 12.695 -4.034 -11.398 1.00 0.00 O ATOM 1628 CB LYS A 101 12.397 -3.137 -8.343 1.00 0.00 C ATOM 1629 CG LYS A 101 12.841 -3.659 -7.013 1.00 0.00 C ATOM 1630 CD LYS A 101 13.276 -2.526 -6.144 1.00 0.00 C ATOM 1631 CE LYS A 101 12.094 -1.656 -5.760 1.00 0.00 C ATOM 1632 NZ LYS A 101 10.984 -2.466 -5.186 1.00 0.00 N ATOM 0 H LYS A 101 14.083 -1.370 -8.506 1.00 0.00 H new ATOM 0 HA LYS A 101 14.019 -4.170 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.046 -2.110 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.558 -3.726 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.026 -4.203 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.662 -4.364 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.754 -2.914 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.020 -1.926 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.412 -0.907 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.737 -1.118 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.074 -2.018 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.008 -3.424 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.094 -2.523 -4.153 1.00 0.00 H new ATOM 1646 N GLY A 102 12.944 -1.811 -11.200 1.00 0.00 N ATOM 1647 CA GLY A 102 12.452 -1.548 -12.539 1.00 0.00 C ATOM 1648 C GLY A 102 10.948 -1.732 -12.627 1.00 0.00 C ATOM 1649 O GLY A 102 10.432 -2.240 -13.622 1.00 0.00 O ATOM 0 H GLY A 102 13.210 -0.980 -10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.712 -0.530 -12.830 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.943 -2.217 -13.246 1.00 0.00 H new ATOM 1653 N LEU A 103 10.249 -1.330 -11.567 1.00 0.00 N ATOM 1654 CA LEU A 103 8.794 -1.463 -11.507 1.00 0.00 C ATOM 1655 C LEU A 103 8.101 -0.107 -11.633 1.00 0.00 C ATOM 1656 O LEU A 103 7.094 0.150 -10.973 1.00 0.00 O ATOM 1657 CB LEU A 103 8.376 -2.138 -10.195 1.00 0.00 C ATOM 1658 CG LEU A 103 9.398 -2.047 -9.067 1.00 0.00 C ATOM 1659 CD1 LEU A 103 9.521 -0.611 -8.579 1.00 0.00 C ATOM 1660 CD2 LEU A 103 9.021 -2.977 -7.921 1.00 0.00 C ATOM 0 H LEU A 103 10.667 -0.909 -10.737 1.00 0.00 H new ATOM 0 HA LEU A 103 8.485 -2.082 -12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.442 -1.690 -9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.171 -3.190 -10.395 1.00 0.00 H new ATOM 0 HG LEU A 103 10.367 -2.364 -9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.254 -0.562 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.843 0.027 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.554 -0.268 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.764 -2.896 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.042 -2.697 -7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.987 -4.005 -8.283 1.00 0.00 H new