USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1011 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 94 ASN : amide:sc= -0.158 K(o=1.1,f=0.52) USER MOD Set 1.2: A 106 TYR OH : rot -170:sc= 1.29 USER MOD Set 2.1: A 63 MET CE :methyl 172:sc= -0.137 (180deg=-0.41) USER MOD Set 2.2: A 71 THR OG1 : rot 88:sc= 1.17 USER MOD Set 3.1: A 56 SER OG : rot -58:sc= 1.27 USER MOD Set 3.2: A 60 MET CE :methyl 156:sc= -0.0659 (180deg=-0.527) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.105 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.132 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.7!) USER MOD Single : A 32 ASN : amide:sc= -0.287 X(o=-0.29,f=-0.13) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0.505 (180deg=0.462) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 1.05 K(o=1,f=-0.0086) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 85 MET CE :methyl -173:sc= -0.187 (180deg=-0.346) USER MOD Single : A 87 THR OG1 : rot 97:sc= 1.27 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -125:sc= -0.12 (180deg=-1.48) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 104 SER OG : rot -46:sc= 1.25 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -113:sc= -0.0873 (180deg=-2.06!) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -176:sc= 0.658 (180deg=0.526) USER MOD Single : A 126 LYS NZ :NH3+ -163:sc=-0.00363 (180deg=-0.155) USER MOD Single : A 129 MET CE :methyl -172:sc= -0.0124 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.741 -18.985 0.010 1.00 0.00 N ATOM 2 CA MET A 1 16.480 -18.858 -0.734 1.00 0.00 C ATOM 3 C MET A 1 15.366 -18.395 0.204 1.00 0.00 C ATOM 4 O MET A 1 15.644 -18.099 1.365 1.00 0.00 O ATOM 5 CB MET A 1 16.167 -20.185 -1.443 1.00 0.00 C ATOM 6 CG MET A 1 15.817 -19.923 -2.906 1.00 0.00 C ATOM 7 SD MET A 1 15.937 -21.372 -3.979 1.00 0.00 S ATOM 8 CE MET A 1 15.377 -20.578 -5.507 1.00 0.00 C ATOM 0 H1 MET A 1 18.532 -18.681 -0.593 1.00 0.00 H new ATOM 0 H2 MET A 1 17.704 -18.388 0.860 1.00 0.00 H new ATOM 0 H3 MET A 1 17.881 -19.977 0.290 1.00 0.00 H new ATOM 0 HA MET A 1 16.568 -18.097 -1.509 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.026 -20.853 -1.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.337 -20.686 -0.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.801 -19.531 -2.958 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.478 -19.146 -3.291 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.375 -21.308 -6.317 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.369 -20.189 -5.366 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.050 -19.759 -5.759 1.00 0.00 H new ATOM 20 N ALA A 2 14.116 -18.350 -0.280 1.00 0.00 N ATOM 21 CA ALA A 2 12.914 -17.939 0.441 1.00 0.00 C ATOM 22 C ALA A 2 13.168 -16.635 1.210 1.00 0.00 C ATOM 23 O ALA A 2 13.239 -16.623 2.442 1.00 0.00 O ATOM 24 CB ALA A 2 12.418 -19.104 1.311 1.00 0.00 C ATOM 0 H ALA A 2 13.911 -18.616 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 2 12.107 -17.708 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.521 -18.799 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.187 -19.959 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 2 13.194 -19.381 2.025 1.00 0.00 H new ATOM 30 N ASP A 3 13.371 -15.556 0.453 1.00 0.00 N ATOM 31 CA ASP A 3 13.951 -14.283 0.886 1.00 0.00 C ATOM 32 C ASP A 3 13.199 -13.719 2.092 1.00 0.00 C ATOM 33 O ASP A 3 12.078 -13.235 1.931 1.00 0.00 O ATOM 34 CB ASP A 3 13.911 -13.238 -0.257 1.00 0.00 C ATOM 35 CG ASP A 3 14.699 -13.589 -1.520 1.00 0.00 C ATOM 36 OD1 ASP A 3 15.370 -14.644 -1.558 1.00 0.00 O ATOM 37 OD2 ASP A 3 14.604 -12.829 -2.513 1.00 0.00 O ATOM 0 H ASP A 3 13.121 -15.546 -0.536 1.00 0.00 H new ATOM 0 HA ASP A 3 14.986 -14.480 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.870 -13.076 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.288 -12.292 0.130 1.00 0.00 H new ATOM 42 N LYS A 4 13.791 -13.697 3.292 1.00 0.00 N ATOM 43 CA LYS A 4 13.209 -13.011 4.462 1.00 0.00 C ATOM 44 C LYS A 4 13.416 -11.495 4.353 1.00 0.00 C ATOM 45 O LYS A 4 13.778 -10.819 5.318 1.00 0.00 O ATOM 46 CB LYS A 4 13.776 -13.557 5.783 1.00 0.00 C ATOM 47 CG LYS A 4 13.713 -15.083 5.876 1.00 0.00 C ATOM 48 CD LYS A 4 14.273 -15.556 7.218 1.00 0.00 C ATOM 49 CE LYS A 4 14.172 -17.079 7.319 1.00 0.00 C ATOM 50 NZ LYS A 4 14.633 -17.558 8.634 1.00 0.00 N ATOM 0 H LYS A 4 14.684 -14.151 3.484 1.00 0.00 H new ATOM 0 HA LYS A 4 12.138 -13.212 4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.812 -13.235 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.222 -13.125 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.682 -15.419 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.282 -15.528 5.060 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.313 -15.245 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.722 -15.092 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.140 -17.389 7.158 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.770 -17.539 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.553 -18.594 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.626 -17.282 8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.046 -17.137 9.382 1.00 0.00 H new ATOM 64 N GLU A 5 13.320 -10.974 3.139 1.00 0.00 N ATOM 65 CA GLU A 5 13.632 -9.617 2.734 1.00 0.00 C ATOM 66 C GLU A 5 12.557 -9.194 1.723 1.00 0.00 C ATOM 67 O GLU A 5 12.840 -8.479 0.764 1.00 0.00 O ATOM 68 CB GLU A 5 15.084 -9.590 2.206 1.00 0.00 C ATOM 69 CG GLU A 5 15.688 -8.182 2.287 1.00 0.00 C ATOM 70 CD GLU A 5 17.192 -8.119 1.990 1.00 0.00 C ATOM 71 OE1 GLU A 5 17.946 -9.026 2.413 1.00 0.00 O ATOM 72 OE2 GLU A 5 17.665 -7.122 1.392 1.00 0.00 O ATOM 0 H GLU A 5 12.996 -11.536 2.352 1.00 0.00 H new ATOM 0 HA GLU A 5 13.605 -8.892 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.695 -10.283 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.102 -9.936 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.164 -7.534 1.584 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.510 -7.780 3.285 1.00 0.00 H new ATOM 79 N LEU A 6 11.331 -9.699 1.921 1.00 0.00 N ATOM 80 CA LEU A 6 10.140 -9.515 1.099 1.00 0.00 C ATOM 81 C LEU A 6 10.032 -8.068 0.628 1.00 0.00 C ATOM 82 O LEU A 6 9.997 -7.150 1.454 1.00 0.00 O ATOM 83 CB LEU A 6 8.911 -9.897 1.936 1.00 0.00 C ATOM 84 CG LEU A 6 7.575 -9.677 1.189 1.00 0.00 C ATOM 85 CD1 LEU A 6 6.983 -11.010 0.719 1.00 0.00 C ATOM 86 CD2 LEU A 6 6.614 -8.895 2.094 1.00 0.00 C ATOM 0 H LEU A 6 11.138 -10.294 2.727 1.00 0.00 H new ATOM 0 HA LEU A 6 10.201 -10.149 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.989 -10.944 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.908 -9.310 2.854 1.00 0.00 H new ATOM 0 HG LEU A 6 7.750 -9.087 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.044 -10.827 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.684 -11.502 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.800 -11.651 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.670 -8.737 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.433 -9.461 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.055 -7.931 2.346 1.00 0.00 H new ATOM 98 N LYS A 7 9.966 -7.861 -0.690 1.00 0.00 N ATOM 99 CA LYS A 7 9.877 -6.512 -1.216 1.00 0.00 C ATOM 100 C LYS A 7 8.502 -5.943 -0.877 1.00 0.00 C ATOM 101 O LYS A 7 7.469 -6.569 -1.144 1.00 0.00 O ATOM 102 CB LYS A 7 10.131 -6.476 -2.730 1.00 0.00 C ATOM 103 CG LYS A 7 10.816 -5.157 -3.135 1.00 0.00 C ATOM 104 CD LYS A 7 12.344 -5.201 -2.969 1.00 0.00 C ATOM 105 CE LYS A 7 12.989 -6.036 -4.086 1.00 0.00 C ATOM 106 NZ LYS A 7 14.416 -6.306 -3.818 1.00 0.00 N ATOM 0 H LYS A 7 9.973 -8.599 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 7 10.651 -5.899 -0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.757 -7.320 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.187 -6.581 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.575 -4.932 -4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.413 -4.344 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.746 -4.188 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.597 -5.627 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.454 -6.980 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.891 -5.509 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.814 -6.872 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.932 -5.406 -3.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.508 -6.831 -2.925 1.00 0.00 H new ATOM 120 N PHE A 8 8.479 -4.741 -0.324 1.00 0.00 N ATOM 121 CA PHE A 8 7.285 -3.912 -0.288 1.00 0.00 C ATOM 122 C PHE A 8 7.243 -3.092 -1.572 1.00 0.00 C ATOM 123 O PHE A 8 8.286 -2.865 -2.184 1.00 0.00 O ATOM 124 CB PHE A 8 7.337 -2.994 0.939 1.00 0.00 C ATOM 125 CG PHE A 8 6.740 -3.588 2.194 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.240 -4.787 2.736 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.659 -2.937 2.816 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.636 -5.342 3.876 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.061 -3.489 3.959 1.00 0.00 C ATOM 130 CZ PHE A 8 5.546 -4.698 4.483 1.00 0.00 C ATOM 0 H PHE A 8 9.293 -4.311 0.115 1.00 0.00 H new ATOM 0 HA PHE A 8 6.388 -4.526 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.376 -2.731 1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.812 -2.067 0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.085 -5.278 2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.287 -2.007 2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.011 -6.267 4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.231 -2.986 4.434 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.080 -5.133 5.355 1.00 0.00 H new ATOM 140 N LEU A 9 6.071 -2.576 -1.932 1.00 0.00 N ATOM 141 CA LEU A 9 5.895 -1.570 -2.967 1.00 0.00 C ATOM 142 C LEU A 9 5.064 -0.447 -2.357 1.00 0.00 C ATOM 143 O LEU A 9 4.106 -0.735 -1.635 1.00 0.00 O ATOM 144 CB LEU A 9 5.178 -2.189 -4.177 1.00 0.00 C ATOM 145 CG LEU A 9 5.240 -1.287 -5.420 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.590 -1.417 -6.127 1.00 0.00 C ATOM 147 CD2 LEU A 9 4.131 -1.666 -6.398 1.00 0.00 C ATOM 0 H LEU A 9 5.193 -2.857 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 9 6.853 -1.185 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.629 -3.154 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.136 -2.378 -3.920 1.00 0.00 H new ATOM 0 HG LEU A 9 5.110 -0.256 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.606 -0.768 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.388 -1.125 -5.444 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.739 -2.451 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.183 -1.021 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.255 -2.705 -6.703 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.162 -1.543 -5.915 1.00 0.00 H new ATOM 159 N VAL A 10 5.436 0.801 -2.628 1.00 0.00 N ATOM 160 CA VAL A 10 4.819 2.008 -2.091 1.00 0.00 C ATOM 161 C VAL A 10 4.580 2.947 -3.269 1.00 0.00 C ATOM 162 O VAL A 10 5.530 3.530 -3.771 1.00 0.00 O ATOM 163 CB VAL A 10 5.748 2.613 -1.012 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.237 3.948 -0.463 1.00 0.00 C ATOM 165 CG2 VAL A 10 5.891 1.671 0.195 1.00 0.00 C ATOM 0 H VAL A 10 6.212 1.007 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 10 3.864 1.811 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 10 6.702 2.762 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.931 4.322 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.160 4.670 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.255 3.804 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.550 2.125 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.911 1.498 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.314 0.721 -0.133 1.00 0.00 H new ATOM 175 N VAL A 11 3.347 3.077 -3.755 1.00 0.00 N ATOM 176 CA VAL A 11 3.028 3.873 -4.939 1.00 0.00 C ATOM 177 C VAL A 11 2.203 5.078 -4.486 1.00 0.00 C ATOM 178 O VAL A 11 1.090 5.336 -4.953 1.00 0.00 O ATOM 179 CB VAL A 11 2.463 2.995 -6.087 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.545 3.683 -7.462 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.279 1.691 -6.187 1.00 0.00 C ATOM 0 H VAL A 11 2.533 2.628 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 11 3.916 4.290 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 11 1.416 2.811 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.135 3.021 -8.225 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.972 4.610 -7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.586 3.906 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.882 1.074 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.322 1.930 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.210 1.146 -5.246 1.00 0.00 H new ATOM 191 N ASP A 12 2.744 5.820 -3.520 1.00 0.00 N ATOM 192 CA ASP A 12 2.129 7.055 -3.063 1.00 0.00 C ATOM 193 C ASP A 12 2.472 8.123 -4.097 1.00 0.00 C ATOM 194 O ASP A 12 3.646 8.308 -4.436 1.00 0.00 O ATOM 195 CB ASP A 12 2.555 7.533 -1.666 1.00 0.00 C ATOM 196 CG ASP A 12 2.712 6.486 -0.560 1.00 0.00 C ATOM 197 OD1 ASP A 12 2.138 5.378 -0.654 1.00 0.00 O ATOM 198 OD2 ASP A 12 3.468 6.813 0.382 1.00 0.00 O ATOM 0 H ASP A 12 3.612 5.581 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 12 1.059 6.868 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.507 8.054 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.824 8.267 -1.328 1.00 0.00 H new ATOM 203 N ASP A 13 1.461 8.814 -4.626 1.00 0.00 N ATOM 204 CA ASP A 13 1.637 9.777 -5.716 1.00 0.00 C ATOM 205 C ASP A 13 2.584 10.909 -5.332 1.00 0.00 C ATOM 206 O ASP A 13 3.473 11.281 -6.096 1.00 0.00 O ATOM 207 CB ASP A 13 0.288 10.362 -6.130 1.00 0.00 C ATOM 208 CG ASP A 13 0.480 11.347 -7.283 1.00 0.00 C ATOM 209 OD1 ASP A 13 0.761 10.895 -8.416 1.00 0.00 O ATOM 210 OD2 ASP A 13 0.324 12.574 -7.069 1.00 0.00 O ATOM 0 H ASP A 13 0.495 8.722 -4.311 1.00 0.00 H new ATOM 0 HA ASP A 13 2.079 9.236 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.388 9.562 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.175 10.867 -5.282 1.00 0.00 H new ATOM 215 N PHE A 14 2.409 11.459 -4.135 1.00 0.00 N ATOM 216 CA PHE A 14 3.270 12.493 -3.592 1.00 0.00 C ATOM 217 C PHE A 14 4.575 11.831 -3.142 1.00 0.00 C ATOM 218 O PHE A 14 4.569 11.148 -2.126 1.00 0.00 O ATOM 219 CB PHE A 14 2.519 13.164 -2.430 1.00 0.00 C ATOM 220 CG PHE A 14 3.225 14.348 -1.797 1.00 0.00 C ATOM 221 CD1 PHE A 14 3.676 15.413 -2.601 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.372 14.426 -0.397 1.00 0.00 C ATOM 223 CE1 PHE A 14 4.268 16.541 -2.013 1.00 0.00 C ATOM 224 CE2 PHE A 14 3.955 15.562 0.190 1.00 0.00 C ATOM 225 CZ PHE A 14 4.401 16.620 -0.619 1.00 0.00 C ATOM 0 H PHE A 14 1.651 11.191 -3.508 1.00 0.00 H new ATOM 0 HA PHE A 14 3.519 13.261 -4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.545 13.494 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.336 12.417 -1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.566 15.361 -3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.036 13.610 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.622 17.350 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.060 15.621 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.846 17.494 -0.168 1.00 0.00 H new ATOM 235 N SER A 15 5.699 11.990 -3.851 1.00 0.00 N ATOM 236 CA SER A 15 6.906 11.224 -3.529 1.00 0.00 C ATOM 237 C SER A 15 7.388 11.444 -2.077 1.00 0.00 C ATOM 238 O SER A 15 7.845 10.494 -1.438 1.00 0.00 O ATOM 239 CB SER A 15 8.000 11.497 -4.568 1.00 0.00 C ATOM 240 OG SER A 15 9.030 10.531 -4.479 1.00 0.00 O ATOM 0 H SER A 15 5.797 12.631 -4.638 1.00 0.00 H new ATOM 0 HA SER A 15 6.653 10.165 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.569 11.484 -5.569 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.415 12.493 -4.413 1.00 0.00 H new ATOM 0 HG SER A 15 9.717 10.722 -5.151 1.00 0.00 H new ATOM 246 N THR A 16 7.216 12.636 -1.490 1.00 0.00 N ATOM 247 CA THR A 16 7.542 12.863 -0.079 1.00 0.00 C ATOM 248 C THR A 16 6.759 11.901 0.824 1.00 0.00 C ATOM 249 O THR A 16 7.317 11.396 1.797 1.00 0.00 O ATOM 250 CB THR A 16 7.286 14.335 0.285 1.00 0.00 C ATOM 251 OG1 THR A 16 8.159 15.158 -0.459 1.00 0.00 O ATOM 252 CG2 THR A 16 7.486 14.620 1.778 1.00 0.00 C ATOM 0 H THR A 16 6.852 13.458 -1.973 1.00 0.00 H new ATOM 0 HA THR A 16 8.600 12.657 0.083 1.00 0.00 H new ATOM 0 HB THR A 16 6.244 14.549 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.997 16.097 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.292 15.674 1.976 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.797 14.008 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.511 14.381 2.060 1.00 0.00 H new ATOM 260 N MET A 17 5.505 11.594 0.482 1.00 0.00 N ATOM 261 CA MET A 17 4.693 10.591 1.154 1.00 0.00 C ATOM 262 C MET A 17 5.434 9.252 1.159 1.00 0.00 C ATOM 263 O MET A 17 5.532 8.636 2.219 1.00 0.00 O ATOM 264 CB MET A 17 3.341 10.471 0.436 1.00 0.00 C ATOM 265 CG MET A 17 2.184 9.978 1.291 1.00 0.00 C ATOM 266 SD MET A 17 1.202 11.313 2.039 1.00 0.00 S ATOM 267 CE MET A 17 -0.049 11.510 0.736 1.00 0.00 C ATOM 0 H MET A 17 5.019 12.051 -0.290 1.00 0.00 H new ATOM 0 HA MET A 17 4.512 10.885 2.188 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.078 11.447 0.029 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.458 9.794 -0.410 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.530 9.358 0.678 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.576 9.340 2.083 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.749 12.296 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.440 11.780 -0.200 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.589 10.572 0.605 1.00 0.00 H new ATOM 277 N ARG A 18 6.059 8.859 0.036 1.00 0.00 N ATOM 278 CA ARG A 18 6.746 7.581 -0.067 1.00 0.00 C ATOM 279 C ARG A 18 7.949 7.564 0.845 1.00 0.00 C ATOM 280 O ARG A 18 8.184 6.567 1.515 1.00 0.00 O ATOM 281 CB ARG A 18 7.197 7.295 -1.502 1.00 0.00 C ATOM 282 CG ARG A 18 6.024 7.295 -2.478 1.00 0.00 C ATOM 283 CD ARG A 18 6.363 6.571 -3.772 1.00 0.00 C ATOM 284 NE ARG A 18 7.417 7.218 -4.563 1.00 0.00 N ATOM 285 CZ ARG A 18 7.226 7.926 -5.678 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.073 8.543 -5.917 1.00 0.00 N ATOM 287 NH2 ARG A 18 8.241 8.039 -6.528 1.00 0.00 N ATOM 0 H ARG A 18 6.097 9.421 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 18 6.041 6.806 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.925 8.045 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.700 6.329 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.163 6.818 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.737 8.323 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.674 5.553 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.462 6.496 -4.380 1.00 0.00 H new ATOM 0 HE ARG A 18 8.377 7.118 -4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.312 8.481 -5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.950 9.079 -6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.133 7.591 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.128 8.573 -7.389 1.00 0.00 H new ATOM 301 N ARG A 19 8.709 8.663 0.901 1.00 0.00 N ATOM 302 CA ARG A 19 9.806 8.784 1.857 1.00 0.00 C ATOM 303 C ARG A 19 9.284 8.600 3.276 1.00 0.00 C ATOM 304 O ARG A 19 9.892 7.861 4.047 1.00 0.00 O ATOM 305 CB ARG A 19 10.519 10.133 1.726 1.00 0.00 C ATOM 306 CG ARG A 19 11.661 10.146 0.710 1.00 0.00 C ATOM 307 CD ARG A 19 11.234 10.145 -0.760 1.00 0.00 C ATOM 308 NE ARG A 19 12.403 10.490 -1.580 1.00 0.00 N ATOM 309 CZ ARG A 19 12.433 11.319 -2.624 1.00 0.00 C ATOM 310 NH1 ARG A 19 11.343 11.631 -3.308 1.00 0.00 N ATOM 311 NH2 ARG A 19 13.591 11.862 -2.967 1.00 0.00 N ATOM 0 H ARG A 19 8.583 9.476 0.297 1.00 0.00 H new ATOM 0 HA ARG A 19 10.532 8.002 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.788 10.891 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.913 10.418 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.276 11.028 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.292 9.275 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.848 9.166 -1.043 1.00 0.00 H new ATOM 0 HD3 ARG A 19 10.431 10.864 -0.923 1.00 0.00 H new ATOM 0 HE ARG A 19 13.286 10.048 -1.323 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.442 11.233 -3.041 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.404 12.269 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 19 14.434 11.643 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 19 13.640 12.499 -3.762 1.00 0.00 H new ATOM 325 N ILE A 20 8.183 9.268 3.628 1.00 0.00 N ATOM 326 CA ILE A 20 7.568 9.154 4.942 1.00 0.00 C ATOM 327 C ILE A 20 7.233 7.680 5.212 1.00 0.00 C ATOM 328 O ILE A 20 7.725 7.141 6.203 1.00 0.00 O ATOM 329 CB ILE A 20 6.397 10.164 5.085 1.00 0.00 C ATOM 330 CG1 ILE A 20 6.875 11.491 5.719 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.269 9.625 5.976 1.00 0.00 C ATOM 332 CD1 ILE A 20 7.843 12.321 4.869 1.00 0.00 C ATOM 0 H ILE A 20 7.694 9.906 3.001 1.00 0.00 H new ATOM 0 HA ILE A 20 8.256 9.443 5.737 1.00 0.00 H new ATOM 0 HB ILE A 20 6.027 10.326 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.000 12.102 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.357 11.265 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.474 10.367 6.045 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.872 8.706 5.544 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.660 9.418 6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.114 13.229 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.741 11.738 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.363 12.587 3.927 1.00 0.00 H new ATOM 344 N VAL A 21 6.426 7.032 4.368 1.00 0.00 N ATOM 345 CA VAL A 21 6.022 5.634 4.491 1.00 0.00 C ATOM 346 C VAL A 21 7.246 4.725 4.592 1.00 0.00 C ATOM 347 O VAL A 21 7.324 3.917 5.516 1.00 0.00 O ATOM 348 CB VAL A 21 5.077 5.261 3.327 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.770 3.756 3.266 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.738 5.991 3.485 1.00 0.00 C ATOM 0 H VAL A 21 6.022 7.487 3.549 1.00 0.00 H new ATOM 0 HA VAL A 21 5.463 5.489 5.416 1.00 0.00 H new ATOM 0 HB VAL A 21 5.593 5.554 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.102 3.555 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.698 3.201 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.292 3.444 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.078 5.723 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.275 5.703 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.908 7.068 3.478 1.00 0.00 H new ATOM 360 N ARG A 22 8.218 4.852 3.687 1.00 0.00 N ATOM 361 CA ARG A 22 9.416 4.022 3.677 1.00 0.00 C ATOM 362 C ARG A 22 10.189 4.185 4.974 1.00 0.00 C ATOM 363 O ARG A 22 10.669 3.189 5.506 1.00 0.00 O ATOM 364 CB ARG A 22 10.277 4.349 2.444 1.00 0.00 C ATOM 365 CG ARG A 22 11.327 3.265 2.152 1.00 0.00 C ATOM 366 CD ARG A 22 12.697 3.416 2.820 1.00 0.00 C ATOM 367 NE ARG A 22 13.442 4.577 2.314 1.00 0.00 N ATOM 368 CZ ARG A 22 14.731 4.842 2.555 1.00 0.00 C ATOM 369 NH1 ARG A 22 15.479 3.957 3.209 1.00 0.00 N ATOM 370 NH2 ARG A 22 15.265 5.986 2.152 1.00 0.00 N ATOM 0 H ARG A 22 8.192 5.541 2.935 1.00 0.00 H new ATOM 0 HA ARG A 22 9.125 2.974 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.630 4.467 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.779 5.304 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.910 2.303 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.480 3.225 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.564 3.515 3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.282 2.511 2.652 1.00 0.00 H new ATOM 0 HE ARG A 22 12.932 5.238 1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.069 3.078 3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.462 4.157 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.693 6.669 1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.248 6.183 2.338 1.00 0.00 H new ATOM 384 N ASN A 23 10.316 5.409 5.488 1.00 0.00 N ATOM 385 CA ASN A 23 10.978 5.669 6.758 1.00 0.00 C ATOM 386 C ASN A 23 10.221 5.024 7.924 1.00 0.00 C ATOM 387 O ASN A 23 10.839 4.370 8.757 1.00 0.00 O ATOM 388 CB ASN A 23 11.159 7.173 6.968 1.00 0.00 C ATOM 389 CG ASN A 23 11.835 7.441 8.303 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.010 7.121 8.476 1.00 0.00 O ATOM 391 ND2 ASN A 23 11.139 8.024 9.262 1.00 0.00 N ATOM 0 H ASN A 23 9.960 6.248 5.030 1.00 0.00 H new ATOM 0 HA ASN A 23 11.967 5.212 6.727 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.758 7.591 6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.190 7.671 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.575 8.216 10.164 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.166 8.282 9.101 1.00 0.00 H new ATOM 398 N LEU A 24 8.890 5.167 7.974 1.00 0.00 N ATOM 399 CA LEU A 24 8.043 4.565 9.012 1.00 0.00 C ATOM 400 C LEU A 24 8.196 3.043 9.004 1.00 0.00 C ATOM 401 O LEU A 24 8.312 2.419 10.054 1.00 0.00 O ATOM 402 CB LEU A 24 6.562 4.918 8.784 1.00 0.00 C ATOM 403 CG LEU A 24 6.211 6.405 8.958 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.883 6.703 8.262 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.117 6.826 10.422 1.00 0.00 C ATOM 0 H LEU A 24 8.366 5.710 7.288 1.00 0.00 H new ATOM 0 HA LEU A 24 8.362 4.963 9.975 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.282 4.610 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.955 4.334 9.476 1.00 0.00 H new ATOM 0 HG LEU A 24 7.021 6.978 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.636 7.757 8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.969 6.473 7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.096 6.091 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.867 7.885 10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.343 6.242 10.919 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.074 6.652 10.913 1.00 0.00 H new ATOM 417 N LEU A 25 8.196 2.453 7.810 1.00 0.00 N ATOM 418 CA LEU A 25 8.397 1.030 7.582 1.00 0.00 C ATOM 419 C LEU A 25 9.713 0.574 8.186 1.00 0.00 C ATOM 420 O LEU A 25 9.716 -0.315 9.033 1.00 0.00 O ATOM 421 CB LEU A 25 8.384 0.747 6.075 1.00 0.00 C ATOM 422 CG LEU A 25 6.951 0.514 5.561 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.843 0.719 4.052 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.443 -0.896 5.889 1.00 0.00 C ATOM 0 H LEU A 25 8.050 2.975 6.946 1.00 0.00 H new ATOM 0 HA LEU A 25 7.589 0.477 8.062 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.832 1.585 5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.996 -0.130 5.862 1.00 0.00 H new ATOM 0 HG LEU A 25 6.335 1.252 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.815 0.544 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.132 1.740 3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.505 0.019 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.429 -1.015 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.095 -1.635 5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.444 -1.041 6.969 1.00 0.00 H new ATOM 436 N LYS A 26 10.832 1.161 7.761 1.00 0.00 N ATOM 437 CA LYS A 26 12.130 0.733 8.266 1.00 0.00 C ATOM 438 C LYS A 26 12.297 1.039 9.752 1.00 0.00 C ATOM 439 O LYS A 26 13.128 0.382 10.374 1.00 0.00 O ATOM 440 CB LYS A 26 13.279 1.301 7.436 1.00 0.00 C ATOM 441 CG LYS A 26 13.348 2.827 7.513 1.00 0.00 C ATOM 442 CD LYS A 26 14.540 3.455 6.774 1.00 0.00 C ATOM 443 CE LYS A 26 15.880 2.763 7.055 1.00 0.00 C ATOM 444 NZ LYS A 26 16.426 3.000 8.408 1.00 0.00 N ATOM 0 H LYS A 26 10.864 1.920 7.081 1.00 0.00 H new ATOM 0 HA LYS A 26 12.166 -0.351 8.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.221 0.878 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.159 0.996 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.426 3.240 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.392 3.123 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.346 3.427 5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.618 4.505 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.756 1.690 6.911 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.609 3.101 6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.330 2.497 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.579 4.019 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.753 2.651 9.120 1.00 0.00 H new ATOM 458 N GLU A 27 11.564 1.998 10.333 1.00 0.00 N ATOM 459 CA GLU A 27 11.643 2.235 11.766 1.00 0.00 C ATOM 460 C GLU A 27 11.166 0.985 12.510 1.00 0.00 C ATOM 461 O GLU A 27 11.768 0.603 13.513 1.00 0.00 O ATOM 462 CB GLU A 27 10.926 3.546 12.161 1.00 0.00 C ATOM 463 CG GLU A 27 9.522 3.495 12.776 1.00 0.00 C ATOM 464 CD GLU A 27 9.549 3.812 14.275 1.00 0.00 C ATOM 465 OE1 GLU A 27 9.631 5.020 14.607 1.00 0.00 O ATOM 466 OE2 GLU A 27 9.519 2.886 15.122 1.00 0.00 O ATOM 0 H GLU A 27 10.920 2.611 9.834 1.00 0.00 H new ATOM 0 HA GLU A 27 12.677 2.399 12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.571 4.068 12.868 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.866 4.165 11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.875 4.207 12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.092 2.505 12.621 1.00 0.00 H new ATOM 473 N LEU A 28 10.131 0.315 11.997 1.00 0.00 N ATOM 474 CA LEU A 28 9.590 -0.919 12.554 1.00 0.00 C ATOM 475 C LEU A 28 10.447 -2.109 12.124 1.00 0.00 C ATOM 476 O LEU A 28 10.753 -2.967 12.956 1.00 0.00 O ATOM 477 CB LEU A 28 8.123 -1.066 12.122 1.00 0.00 C ATOM 478 CG LEU A 28 7.192 -0.041 12.798 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.878 0.024 12.031 1.00 0.00 C ATOM 480 CD2 LEU A 28 6.910 -0.352 14.269 1.00 0.00 C ATOM 0 H LEU A 28 9.636 0.627 11.161 1.00 0.00 H new ATOM 0 HA LEU A 28 9.617 -0.887 13.643 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.055 -0.952 11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.779 -2.073 12.359 1.00 0.00 H new ATOM 0 HG LEU A 28 7.707 0.919 12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.215 0.748 12.505 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.072 0.329 11.003 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.405 -0.958 12.036 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.248 0.410 14.682 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.433 -1.329 14.349 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.847 -0.359 14.826 1.00 0.00 H new ATOM 492 N GLY A 29 10.870 -2.157 10.857 1.00 0.00 N ATOM 493 CA GLY A 29 11.855 -3.118 10.395 1.00 0.00 C ATOM 494 C GLY A 29 11.952 -3.293 8.882 1.00 0.00 C ATOM 495 O GLY A 29 13.005 -3.713 8.412 1.00 0.00 O ATOM 0 H GLY A 29 10.534 -1.527 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.833 -2.817 10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.627 -4.086 10.840 1.00 0.00 H new ATOM 499 N PHE A 30 10.904 -3.016 8.100 1.00 0.00 N ATOM 500 CA PHE A 30 10.914 -3.288 6.660 1.00 0.00 C ATOM 501 C PHE A 30 11.752 -2.248 5.908 1.00 0.00 C ATOM 502 O PHE A 30 11.291 -1.136 5.662 1.00 0.00 O ATOM 503 CB PHE A 30 9.480 -3.354 6.113 1.00 0.00 C ATOM 504 CG PHE A 30 8.681 -4.577 6.533 1.00 0.00 C ATOM 505 CD1 PHE A 30 9.179 -5.871 6.290 1.00 0.00 C ATOM 506 CD2 PHE A 30 7.415 -4.430 7.132 1.00 0.00 C ATOM 507 CE1 PHE A 30 8.421 -7.002 6.637 1.00 0.00 C ATOM 508 CE2 PHE A 30 6.663 -5.562 7.495 1.00 0.00 C ATOM 509 CZ PHE A 30 7.160 -6.848 7.238 1.00 0.00 C ATOM 0 H PHE A 30 10.036 -2.603 8.441 1.00 0.00 H new ATOM 0 HA PHE A 30 11.380 -4.260 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.944 -2.462 6.436 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.522 -3.324 5.024 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.150 -5.995 5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.019 -3.442 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.808 -7.991 6.442 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.702 -5.441 7.972 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.576 -7.717 7.501 1.00 0.00 H new ATOM 519 N ASN A 31 12.987 -2.587 5.524 1.00 0.00 N ATOM 520 CA ASN A 31 13.859 -1.678 4.765 1.00 0.00 C ATOM 521 C ASN A 31 13.626 -1.748 3.260 1.00 0.00 C ATOM 522 O ASN A 31 13.858 -0.778 2.531 1.00 0.00 O ATOM 523 CB ASN A 31 15.343 -1.974 5.035 1.00 0.00 C ATOM 524 CG ASN A 31 15.781 -1.458 6.389 1.00 0.00 C ATOM 525 OD1 ASN A 31 16.159 -0.300 6.511 1.00 0.00 O ATOM 526 ND2 ASN A 31 15.715 -2.268 7.424 1.00 0.00 N ATOM 0 H ASN A 31 13.410 -3.492 5.728 1.00 0.00 H new ATOM 0 HA ASN A 31 13.602 -0.677 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.515 -3.049 4.983 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.953 -1.516 4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.982 -1.935 8.350 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.397 -3.229 7.300 1.00 0.00 H new ATOM 533 N ASN A 32 13.165 -2.898 2.789 1.00 0.00 N ATOM 534 CA ASN A 32 13.290 -3.316 1.393 1.00 0.00 C ATOM 535 C ASN A 32 11.989 -3.016 0.684 1.00 0.00 C ATOM 536 O ASN A 32 11.127 -3.863 0.471 1.00 0.00 O ATOM 537 CB ASN A 32 13.791 -4.758 1.291 1.00 0.00 C ATOM 538 CG ASN A 32 15.188 -4.777 1.902 1.00 0.00 C ATOM 539 OD1 ASN A 32 16.142 -4.270 1.320 1.00 0.00 O ATOM 540 ND2 ASN A 32 15.301 -5.174 3.157 1.00 0.00 N ATOM 0 H ASN A 32 12.684 -3.582 3.374 1.00 0.00 H new ATOM 0 HA ASN A 32 14.059 -2.746 0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.126 -5.438 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.818 -5.086 0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.187 -5.060 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.503 -5.594 3.633 1.00 0.00 H new ATOM 547 N VAL A 33 11.843 -1.732 0.401 1.00 0.00 N ATOM 548 CA VAL A 33 10.621 -1.060 0.057 1.00 0.00 C ATOM 549 C VAL A 33 10.895 -0.349 -1.261 1.00 0.00 C ATOM 550 O VAL A 33 11.693 0.595 -1.301 1.00 0.00 O ATOM 551 CB VAL A 33 10.285 -0.100 1.211 1.00 0.00 C ATOM 552 CG1 VAL A 33 8.996 0.661 0.932 1.00 0.00 C ATOM 553 CG2 VAL A 33 10.155 -0.762 2.596 1.00 0.00 C ATOM 0 H VAL A 33 12.639 -1.094 0.409 1.00 0.00 H new ATOM 0 HA VAL A 33 9.763 -1.719 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 33 11.145 0.569 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.782 1.332 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.107 1.242 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.174 -0.046 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.917 -0.003 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.360 -1.507 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.096 -1.245 2.858 1.00 0.00 H new ATOM 563 N GLU A 34 10.296 -0.863 -2.328 1.00 0.00 N ATOM 564 CA GLU A 34 10.222 -0.261 -3.645 1.00 0.00 C ATOM 565 C GLU A 34 9.019 0.685 -3.719 1.00 0.00 C ATOM 566 O GLU A 34 8.347 0.977 -2.731 1.00 0.00 O ATOM 567 CB GLU A 34 10.128 -1.393 -4.695 1.00 0.00 C ATOM 568 CG GLU A 34 11.481 -2.012 -5.027 1.00 0.00 C ATOM 569 CD GLU A 34 12.447 -1.013 -5.661 1.00 0.00 C ATOM 570 OE1 GLU A 34 12.058 0.092 -6.103 1.00 0.00 O ATOM 571 OE2 GLU A 34 13.666 -1.298 -5.653 1.00 0.00 O ATOM 0 H GLU A 34 9.822 -1.765 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 34 11.113 0.333 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.460 -2.171 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.682 -0.998 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.926 -2.413 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.335 -2.851 -5.707 1.00 0.00 H new ATOM 578 N GLU A 35 8.712 1.106 -4.936 1.00 0.00 N ATOM 579 CA GLU A 35 7.826 2.162 -5.370 1.00 0.00 C ATOM 580 C GLU A 35 7.866 2.112 -6.900 1.00 0.00 C ATOM 581 O GLU A 35 8.607 1.313 -7.486 1.00 0.00 O ATOM 582 CB GLU A 35 8.280 3.541 -4.842 1.00 0.00 C ATOM 583 CG GLU A 35 9.758 3.871 -5.077 1.00 0.00 C ATOM 584 CD GLU A 35 9.983 5.375 -5.255 1.00 0.00 C ATOM 585 OE1 GLU A 35 10.017 6.123 -4.250 1.00 0.00 O ATOM 586 OE2 GLU A 35 10.123 5.855 -6.405 1.00 0.00 O ATOM 0 H GLU A 35 9.138 0.651 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 35 6.816 2.022 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.672 4.312 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.079 3.588 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.349 3.512 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.112 3.343 -5.962 1.00 0.00 H new ATOM 593 N ALA A 36 7.008 2.889 -7.550 1.00 0.00 N ATOM 594 CA ALA A 36 6.751 2.787 -8.976 1.00 0.00 C ATOM 595 C ALA A 36 6.492 4.186 -9.528 1.00 0.00 C ATOM 596 O ALA A 36 6.426 5.155 -8.772 1.00 0.00 O ATOM 597 CB ALA A 36 5.556 1.840 -9.172 1.00 0.00 C ATOM 0 H ALA A 36 6.464 3.619 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 36 7.602 2.377 -9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.339 1.744 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.797 0.860 -8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.683 2.244 -8.659 1.00 0.00 H new ATOM 603 N GLU A 37 6.320 4.318 -10.836 1.00 0.00 N ATOM 604 CA GLU A 37 5.981 5.594 -11.441 1.00 0.00 C ATOM 605 C GLU A 37 4.583 6.044 -11.021 1.00 0.00 C ATOM 606 O GLU A 37 4.355 7.237 -10.816 1.00 0.00 O ATOM 607 CB GLU A 37 6.011 5.448 -12.965 1.00 0.00 C ATOM 608 CG GLU A 37 7.398 5.090 -13.514 1.00 0.00 C ATOM 609 CD GLU A 37 8.033 6.300 -14.190 1.00 0.00 C ATOM 610 OE1 GLU A 37 7.600 6.675 -15.305 1.00 0.00 O ATOM 611 OE2 GLU A 37 8.938 6.919 -13.586 1.00 0.00 O ATOM 0 H GLU A 37 6.411 3.550 -11.501 1.00 0.00 H new ATOM 0 HA GLU A 37 6.706 6.337 -11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.300 4.677 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.678 6.381 -13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.038 4.742 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.313 4.270 -14.228 1.00 0.00 H new ATOM 618 N ASP A 38 3.636 5.107 -10.933 1.00 0.00 N ATOM 619 CA ASP A 38 2.196 5.341 -10.982 1.00 0.00 C ATOM 620 C ASP A 38 1.535 3.997 -10.687 1.00 0.00 C ATOM 621 O ASP A 38 2.199 2.964 -10.807 1.00 0.00 O ATOM 622 CB ASP A 38 1.799 5.766 -12.420 1.00 0.00 C ATOM 623 CG ASP A 38 0.969 7.046 -12.527 1.00 0.00 C ATOM 624 OD1 ASP A 38 0.861 7.795 -11.531 1.00 0.00 O ATOM 625 OD2 ASP A 38 0.561 7.357 -13.672 1.00 0.00 O ATOM 0 H ASP A 38 3.866 4.120 -10.820 1.00 0.00 H new ATOM 0 HA ASP A 38 1.896 6.115 -10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.709 5.895 -13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.238 4.951 -12.878 1.00 0.00 H new ATOM 630 N GLY A 39 0.232 3.959 -10.400 1.00 0.00 N ATOM 631 CA GLY A 39 -0.511 2.703 -10.295 1.00 0.00 C ATOM 632 C GLY A 39 -0.360 1.824 -11.543 1.00 0.00 C ATOM 633 O GLY A 39 -0.283 0.601 -11.449 1.00 0.00 O ATOM 0 H GLY A 39 -0.334 4.792 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.163 2.151 -9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.567 2.922 -10.134 1.00 0.00 H new ATOM 637 N VAL A 40 -0.242 2.447 -12.714 1.00 0.00 N ATOM 638 CA VAL A 40 -0.013 1.774 -13.986 1.00 0.00 C ATOM 639 C VAL A 40 1.275 0.937 -13.929 1.00 0.00 C ATOM 640 O VAL A 40 1.290 -0.222 -14.354 1.00 0.00 O ATOM 641 CB VAL A 40 0.040 2.828 -15.112 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.052 2.133 -16.472 1.00 0.00 C ATOM 643 CG2 VAL A 40 -1.090 3.869 -14.998 1.00 0.00 C ATOM 0 H VAL A 40 -0.305 3.461 -12.804 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.833 1.086 -14.193 1.00 0.00 H new ATOM 0 HB VAL A 40 0.988 3.357 -15.014 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.014 2.879 -17.265 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.783 1.442 -16.584 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.990 1.582 -16.536 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.007 4.587 -15.814 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.055 3.366 -15.054 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.008 4.392 -14.045 1.00 0.00 H new ATOM 653 N ASP A 41 2.348 1.513 -13.384 1.00 0.00 N ATOM 654 CA ASP A 41 3.623 0.832 -13.198 1.00 0.00 C ATOM 655 C ASP A 41 3.518 -0.143 -12.027 1.00 0.00 C ATOM 656 O ASP A 41 4.150 -1.195 -12.055 1.00 0.00 O ATOM 657 CB ASP A 41 4.727 1.872 -12.956 1.00 0.00 C ATOM 658 CG ASP A 41 6.144 1.296 -12.805 1.00 0.00 C ATOM 659 OD1 ASP A 41 6.478 0.204 -13.309 1.00 0.00 O ATOM 660 OD2 ASP A 41 7.008 1.967 -12.199 1.00 0.00 O ATOM 0 H ASP A 41 2.352 2.479 -13.056 1.00 0.00 H new ATOM 0 HA ASP A 41 3.876 0.263 -14.093 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.726 2.580 -13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.483 2.435 -12.055 1.00 0.00 H new ATOM 665 N ALA A 42 2.681 0.147 -11.019 1.00 0.00 N ATOM 666 CA ALA A 42 2.493 -0.715 -9.869 1.00 0.00 C ATOM 667 C ALA A 42 2.034 -2.084 -10.332 1.00 0.00 C ATOM 668 O ALA A 42 2.636 -3.071 -9.935 1.00 0.00 O ATOM 669 CB ALA A 42 1.481 -0.129 -8.882 1.00 0.00 C ATOM 0 H ALA A 42 2.117 0.996 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 42 3.448 -0.801 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.367 -0.804 -8.034 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.835 0.840 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.519 -0.005 -9.378 1.00 0.00 H new ATOM 675 N LEU A 43 1.005 -2.148 -11.181 1.00 0.00 N ATOM 676 CA LEU A 43 0.465 -3.406 -11.687 1.00 0.00 C ATOM 677 C LEU A 43 1.581 -4.241 -12.352 1.00 0.00 C ATOM 678 O LEU A 43 1.754 -5.435 -12.054 1.00 0.00 O ATOM 679 CB LEU A 43 -0.730 -3.089 -12.614 1.00 0.00 C ATOM 680 CG LEU A 43 -1.750 -4.239 -12.709 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.671 -4.328 -11.482 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.655 -4.069 -13.936 1.00 0.00 C ATOM 0 H LEU A 43 0.523 -1.323 -11.537 1.00 0.00 H new ATOM 0 HA LEU A 43 0.087 -4.030 -10.877 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.235 -2.194 -12.251 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.356 -2.861 -13.612 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.151 -5.147 -12.777 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.367 -5.157 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.070 -4.492 -10.587 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.230 -3.398 -11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.366 -4.894 -13.981 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.197 -3.126 -13.861 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.046 -4.066 -14.840 1.00 0.00 H new ATOM 694 N ASN A 44 2.401 -3.584 -13.186 1.00 0.00 N ATOM 695 CA ASN A 44 3.557 -4.208 -13.827 1.00 0.00 C ATOM 696 C ASN A 44 4.593 -4.690 -12.803 1.00 0.00 C ATOM 697 O ASN A 44 5.150 -5.772 -12.990 1.00 0.00 O ATOM 698 CB ASN A 44 4.204 -3.301 -14.883 1.00 0.00 C ATOM 699 CG ASN A 44 5.336 -4.053 -15.580 1.00 0.00 C ATOM 700 OD1 ASN A 44 6.513 -3.786 -15.344 1.00 0.00 O ATOM 701 ND2 ASN A 44 5.017 -5.039 -16.400 1.00 0.00 N ATOM 0 H ASN A 44 2.276 -2.602 -13.432 1.00 0.00 H new ATOM 0 HA ASN A 44 3.175 -5.086 -14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.458 -2.987 -15.614 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.590 -2.397 -14.413 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.751 -5.589 -16.846 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.037 -5.250 -16.587 1.00 0.00 H new ATOM 708 N LYS A 45 4.832 -3.951 -11.710 1.00 0.00 N ATOM 709 CA LYS A 45 5.673 -4.414 -10.598 1.00 0.00 C ATOM 710 C LYS A 45 5.103 -5.709 -10.034 1.00 0.00 C ATOM 711 O LYS A 45 5.858 -6.658 -9.831 1.00 0.00 O ATOM 712 CB LYS A 45 5.804 -3.374 -9.465 1.00 0.00 C ATOM 713 CG LYS A 45 6.429 -2.029 -9.864 1.00 0.00 C ATOM 714 CD LYS A 45 7.939 -1.998 -9.620 1.00 0.00 C ATOM 715 CE LYS A 45 8.556 -0.666 -10.041 1.00 0.00 C ATOM 716 NZ LYS A 45 8.604 -0.498 -11.507 1.00 0.00 N ATOM 0 H LYS A 45 4.448 -3.016 -11.573 1.00 0.00 H new ATOM 0 HA LYS A 45 6.673 -4.575 -11.001 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.812 -3.185 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.403 -3.809 -8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.229 -1.836 -10.918 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.955 -1.228 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.140 -2.173 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.413 -2.809 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.980 0.150 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.566 -0.595 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.000 0.436 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.203 -1.240 -11.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.642 -0.571 -11.897 1.00 0.00 H new ATOM 730 N LEU A 46 3.791 -5.769 -9.764 1.00 0.00 N ATOM 731 CA LEU A 46 3.212 -6.926 -9.079 1.00 0.00 C ATOM 732 C LEU A 46 3.455 -8.154 -9.931 1.00 0.00 C ATOM 733 O LEU A 46 3.951 -9.153 -9.407 1.00 0.00 O ATOM 734 CB LEU A 46 1.699 -6.834 -8.793 1.00 0.00 C ATOM 735 CG LEU A 46 1.167 -5.440 -8.501 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.327 -5.492 -8.247 1.00 0.00 C ATOM 737 CD2 LEU A 46 1.881 -4.719 -7.355 1.00 0.00 C ATOM 0 H LEU A 46 3.121 -5.039 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 46 3.701 -6.971 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.161 -7.236 -9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.469 -7.476 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 46 1.375 -4.849 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.696 -4.488 -8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.832 -5.889 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.528 -6.137 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.439 -3.733 -7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.774 -5.299 -6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.939 -4.612 -7.596 1.00 0.00 H new ATOM 749 N GLN A 47 3.159 -8.062 -11.234 1.00 0.00 N ATOM 750 CA GLN A 47 3.400 -9.172 -12.158 1.00 0.00 C ATOM 751 C GLN A 47 4.886 -9.345 -12.545 1.00 0.00 C ATOM 752 O GLN A 47 5.208 -9.654 -13.695 1.00 0.00 O ATOM 753 CB GLN A 47 2.433 -9.102 -13.346 1.00 0.00 C ATOM 754 CG GLN A 47 2.646 -7.878 -14.236 1.00 0.00 C ATOM 755 CD GLN A 47 1.430 -7.609 -15.101 1.00 0.00 C ATOM 756 OE1 GLN A 47 1.479 -7.779 -16.316 1.00 0.00 O ATOM 757 NE2 GLN A 47 0.331 -7.149 -14.531 1.00 0.00 N ATOM 0 H GLN A 47 2.754 -7.233 -11.668 1.00 0.00 H new ATOM 0 HA GLN A 47 3.177 -10.099 -11.630 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.545 -10.003 -13.949 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.410 -9.095 -12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.854 -7.006 -13.616 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.519 -8.034 -14.870 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.300 -7.011 -13.521 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.487 -6.932 -15.101 1.00 0.00 H new ATOM 766 N ALA A 48 5.814 -9.101 -11.618 1.00 0.00 N ATOM 767 CA ALA A 48 7.172 -9.626 -11.665 1.00 0.00 C ATOM 768 C ALA A 48 7.236 -10.839 -10.730 1.00 0.00 C ATOM 769 O ALA A 48 7.684 -11.911 -11.135 1.00 0.00 O ATOM 770 CB ALA A 48 8.171 -8.549 -11.237 1.00 0.00 C ATOM 0 H ALA A 48 5.635 -8.521 -10.799 1.00 0.00 H new ATOM 0 HA ALA A 48 7.433 -9.926 -12.680 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.182 -8.954 -11.277 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.096 -7.695 -11.910 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.948 -8.230 -10.219 1.00 0.00 H new ATOM 776 N GLY A 49 6.742 -10.675 -9.498 1.00 0.00 N ATOM 777 CA GLY A 49 6.766 -11.662 -8.426 1.00 0.00 C ATOM 778 C GLY A 49 7.796 -11.268 -7.367 1.00 0.00 C ATOM 779 O GLY A 49 8.806 -10.634 -7.678 1.00 0.00 O ATOM 0 H GLY A 49 6.293 -9.805 -9.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.778 -11.740 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.009 -12.644 -8.832 1.00 0.00 H new ATOM 783 N GLY A 50 7.613 -11.702 -6.118 1.00 0.00 N ATOM 784 CA GLY A 50 8.576 -11.489 -5.033 1.00 0.00 C ATOM 785 C GLY A 50 8.304 -10.243 -4.197 1.00 0.00 C ATOM 786 O GLY A 50 8.931 -10.074 -3.146 1.00 0.00 O ATOM 0 H GLY A 50 6.782 -12.217 -5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.570 -12.361 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.577 -11.417 -5.459 1.00 0.00 H new ATOM 790 N TYR A 51 7.358 -9.402 -4.617 1.00 0.00 N ATOM 791 CA TYR A 51 6.728 -8.456 -3.716 1.00 0.00 C ATOM 792 C TYR A 51 5.799 -9.229 -2.794 1.00 0.00 C ATOM 793 O TYR A 51 5.346 -10.320 -3.141 1.00 0.00 O ATOM 794 CB TYR A 51 5.914 -7.414 -4.496 1.00 0.00 C ATOM 795 CG TYR A 51 6.762 -6.587 -5.428 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.995 -7.030 -6.741 1.00 0.00 C ATOM 797 CD2 TYR A 51 7.366 -5.405 -4.963 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.861 -6.315 -7.579 1.00 0.00 C ATOM 799 CE2 TYR A 51 8.222 -4.680 -5.806 1.00 0.00 C ATOM 800 CZ TYR A 51 8.481 -5.136 -7.115 1.00 0.00 C ATOM 801 OH TYR A 51 9.324 -4.438 -7.918 1.00 0.00 O ATOM 0 H TYR A 51 7.016 -9.362 -5.577 1.00 0.00 H new ATOM 0 HA TYR A 51 7.497 -7.932 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.139 -7.921 -5.071 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.407 -6.754 -3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.506 -7.922 -7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.171 -5.056 -3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.054 -6.667 -8.582 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.684 -3.770 -5.451 1.00 0.00 H new ATOM 0 HH TYR A 51 9.659 -3.653 -7.437 1.00 0.00 H new ATOM 811 N GLY A 52 5.425 -8.611 -1.678 1.00 0.00 N ATOM 812 CA GLY A 52 4.301 -9.071 -0.875 1.00 0.00 C ATOM 813 C GLY A 52 3.365 -7.952 -0.442 1.00 0.00 C ATOM 814 O GLY A 52 2.443 -8.239 0.317 1.00 0.00 O ATOM 0 H GLY A 52 5.890 -7.782 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.735 -9.807 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.682 -9.579 0.011 1.00 0.00 H new ATOM 818 N PHE A 53 3.579 -6.700 -0.870 1.00 0.00 N ATOM 819 CA PHE A 53 2.809 -5.546 -0.418 1.00 0.00 C ATOM 820 C PHE A 53 2.590 -4.560 -1.550 1.00 0.00 C ATOM 821 O PHE A 53 3.517 -4.333 -2.326 1.00 0.00 O ATOM 822 CB PHE A 53 3.534 -4.855 0.746 1.00 0.00 C ATOM 823 CG PHE A 53 2.891 -5.119 2.084 1.00 0.00 C ATOM 824 CD1 PHE A 53 1.866 -4.273 2.543 1.00 0.00 C ATOM 825 CD2 PHE A 53 3.304 -6.214 2.862 1.00 0.00 C ATOM 826 CE1 PHE A 53 1.263 -4.516 3.786 1.00 0.00 C ATOM 827 CE2 PHE A 53 2.698 -6.461 4.105 1.00 0.00 C ATOM 828 CZ PHE A 53 1.676 -5.615 4.564 1.00 0.00 C ATOM 0 H PHE A 53 4.303 -6.463 -1.549 1.00 0.00 H new ATOM 0 HA PHE A 53 1.835 -5.898 -0.079 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.569 -5.194 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.556 -3.780 0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.543 -3.437 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.087 -6.866 2.504 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.483 -3.861 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.017 -7.300 4.706 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.205 -5.808 5.517 1.00 0.00 H new ATOM 838 N VAL A 54 1.400 -3.952 -1.601 1.00 0.00 N ATOM 839 CA VAL A 54 1.003 -2.993 -2.631 1.00 0.00 C ATOM 840 C VAL A 54 0.377 -1.790 -1.927 1.00 0.00 C ATOM 841 O VAL A 54 -0.842 -1.600 -1.904 1.00 0.00 O ATOM 842 CB VAL A 54 0.093 -3.664 -3.684 1.00 0.00 C ATOM 843 CG1 VAL A 54 -0.029 -2.830 -4.962 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.660 -5.025 -4.088 1.00 0.00 C ATOM 0 H VAL A 54 0.670 -4.119 -0.909 1.00 0.00 H new ATOM 0 HA VAL A 54 1.861 -2.636 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.888 -3.763 -3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.678 -3.344 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.453 -1.855 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.958 -2.697 -5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.008 -5.485 -4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.656 -4.893 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.722 -5.669 -3.210 1.00 0.00 H new ATOM 854 N ILE A 55 1.236 -1.015 -1.275 1.00 0.00 N ATOM 855 CA ILE A 55 0.888 0.252 -0.657 1.00 0.00 C ATOM 856 C ILE A 55 0.747 1.289 -1.777 1.00 0.00 C ATOM 857 O ILE A 55 1.499 1.232 -2.750 1.00 0.00 O ATOM 858 CB ILE A 55 1.913 0.602 0.453 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.281 -0.658 1.286 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.383 1.745 1.317 1.00 0.00 C ATOM 861 CD1 ILE A 55 3.043 -0.442 2.601 1.00 0.00 C ATOM 0 H ILE A 55 2.219 -1.260 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.069 0.217 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 55 2.838 0.947 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.358 -1.190 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.879 -1.315 0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.111 1.982 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.216 2.624 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.443 1.445 1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.232 -1.405 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.992 0.053 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.447 0.180 3.269 1.00 0.00 H new ATOM 873 N SER A 56 -0.236 2.184 -1.690 1.00 0.00 N ATOM 874 CA SER A 56 -0.597 3.100 -2.770 1.00 0.00 C ATOM 875 C SER A 56 -1.260 4.341 -2.176 1.00 0.00 C ATOM 876 O SER A 56 -2.026 4.201 -1.217 1.00 0.00 O ATOM 877 CB SER A 56 -1.601 2.332 -3.645 1.00 0.00 C ATOM 878 OG SER A 56 -2.072 3.013 -4.796 1.00 0.00 O ATOM 0 H SER A 56 -0.812 2.294 -0.855 1.00 0.00 H new ATOM 0 HA SER A 56 0.270 3.424 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.135 1.400 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.459 2.065 -3.029 1.00 0.00 H new ATOM 0 HG SER A 56 -2.498 3.853 -4.527 1.00 0.00 H new ATOM 884 N ASP A 57 -1.079 5.524 -2.791 1.00 0.00 N ATOM 885 CA ASP A 57 -2.050 6.606 -2.544 1.00 0.00 C ATOM 886 C ASP A 57 -3.332 6.208 -3.285 1.00 0.00 C ATOM 887 O ASP A 57 -3.340 5.311 -4.134 1.00 0.00 O ATOM 888 CB ASP A 57 -1.559 8.029 -2.930 1.00 0.00 C ATOM 889 CG ASP A 57 -2.282 9.193 -2.205 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.533 9.215 -2.091 1.00 0.00 O ATOM 891 OD2 ASP A 57 -1.602 10.136 -1.745 1.00 0.00 O ATOM 0 H ASP A 57 -0.315 5.749 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.215 6.699 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.492 8.098 -2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.681 8.159 -4.005 1.00 0.00 H new ATOM 896 N TRP A 58 -4.429 6.868 -2.963 1.00 0.00 N ATOM 897 CA TRP A 58 -5.645 6.900 -3.739 1.00 0.00 C ATOM 898 C TRP A 58 -5.485 7.843 -4.925 1.00 0.00 C ATOM 899 O TRP A 58 -5.788 7.496 -6.067 1.00 0.00 O ATOM 900 CB TRP A 58 -6.747 7.444 -2.826 1.00 0.00 C ATOM 901 CG TRP A 58 -8.132 7.273 -3.341 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.714 7.891 -4.393 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.126 6.371 -2.813 1.00 0.00 C ATOM 904 NE1 TRP A 58 -10.009 7.431 -4.529 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.332 6.520 -3.550 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.100 5.434 -1.772 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.481 5.777 -3.245 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.237 4.684 -1.461 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.414 4.848 -2.195 1.00 0.00 C ATOM 0 H TRP A 58 -4.494 7.423 -2.109 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.884 5.904 -4.111 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.672 6.950 -1.857 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.567 8.506 -2.657 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -8.241 8.627 -5.026 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.648 7.730 -5.266 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.192 5.290 -1.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.395 5.916 -3.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.206 3.973 -0.648 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.282 4.253 -1.952 1.00 0.00 H new ATOM 920 N ASN A 59 -5.061 9.072 -4.633 1.00 0.00 N ATOM 921 CA ASN A 59 -5.279 10.203 -5.509 1.00 0.00 C ATOM 922 C ASN A 59 -4.090 10.354 -6.452 1.00 0.00 C ATOM 923 O ASN A 59 -3.153 11.098 -6.164 1.00 0.00 O ATOM 924 CB ASN A 59 -5.597 11.445 -4.656 1.00 0.00 C ATOM 925 CG ASN A 59 -6.521 12.384 -5.408 1.00 0.00 C ATOM 926 OD1 ASN A 59 -6.103 13.118 -6.296 1.00 0.00 O ATOM 927 ND2 ASN A 59 -7.810 12.357 -5.112 1.00 0.00 N ATOM 0 H ASN A 59 -4.556 9.303 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.144 10.055 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.063 11.140 -3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.673 11.963 -4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.463 12.950 -5.624 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.151 11.744 -4.372 1.00 0.00 H new ATOM 934 N MET A 60 -4.101 9.615 -7.560 1.00 0.00 N ATOM 935 CA MET A 60 -3.026 9.560 -8.554 1.00 0.00 C ATOM 936 C MET A 60 -3.611 9.752 -9.962 1.00 0.00 C ATOM 937 O MET A 60 -4.835 9.661 -10.119 1.00 0.00 O ATOM 938 CB MET A 60 -2.236 8.251 -8.379 1.00 0.00 C ATOM 939 CG MET A 60 -3.019 6.964 -8.632 1.00 0.00 C ATOM 940 SD MET A 60 -2.011 5.453 -8.577 1.00 0.00 S ATOM 941 CE MET A 60 -1.306 5.533 -6.915 1.00 0.00 C ATOM 0 H MET A 60 -4.889 9.014 -7.801 1.00 0.00 H new ATOM 0 HA MET A 60 -2.315 10.373 -8.407 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.380 8.272 -9.054 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.841 8.220 -7.364 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.814 6.884 -7.890 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.500 7.031 -9.608 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.037 4.530 -6.585 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.416 6.162 -6.927 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.040 5.956 -6.229 1.00 0.00 H new ATOM 951 N PRO A 61 -2.797 10.079 -10.980 1.00 0.00 N ATOM 952 CA PRO A 61 -3.266 10.155 -12.355 1.00 0.00 C ATOM 953 C PRO A 61 -3.438 8.753 -12.961 1.00 0.00 C ATOM 954 O PRO A 61 -3.084 7.734 -12.368 1.00 0.00 O ATOM 955 CB PRO A 61 -2.205 10.982 -13.090 1.00 0.00 C ATOM 956 CG PRO A 61 -0.918 10.629 -12.354 1.00 0.00 C ATOM 957 CD PRO A 61 -1.384 10.439 -10.911 1.00 0.00 C ATOM 0 HA PRO A 61 -4.250 10.618 -12.433 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.150 10.719 -14.146 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.419 12.050 -13.038 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.461 9.723 -12.753 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.176 11.423 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.808 9.657 -10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.243 11.353 -10.334 1.00 0.00 H new ATOM 965 N ASN A 62 -3.930 8.731 -14.198 1.00 0.00 N ATOM 966 CA ASN A 62 -4.131 7.579 -15.064 1.00 0.00 C ATOM 967 C ASN A 62 -5.056 6.561 -14.405 1.00 0.00 C ATOM 968 O ASN A 62 -6.276 6.714 -14.502 1.00 0.00 O ATOM 969 CB ASN A 62 -2.794 7.006 -15.565 1.00 0.00 C ATOM 970 CG ASN A 62 -2.012 8.051 -16.345 1.00 0.00 C ATOM 971 OD1 ASN A 62 -2.472 8.544 -17.368 1.00 0.00 O ATOM 972 ND2 ASN A 62 -0.857 8.460 -15.857 1.00 0.00 N ATOM 0 H ASN A 62 -4.222 9.594 -14.656 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.648 7.899 -15.969 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.202 6.661 -14.718 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.980 6.138 -16.198 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.334 9.196 -16.332 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.486 8.040 -15.004 1.00 0.00 H new ATOM 979 N MET A 63 -4.516 5.511 -13.788 1.00 0.00 N ATOM 980 CA MET A 63 -5.262 4.549 -12.992 1.00 0.00 C ATOM 981 C MET A 63 -5.250 5.041 -11.552 1.00 0.00 C ATOM 982 O MET A 63 -4.213 4.919 -10.902 1.00 0.00 O ATOM 983 CB MET A 63 -4.634 3.156 -13.141 1.00 0.00 C ATOM 984 CG MET A 63 -5.266 2.133 -12.193 1.00 0.00 C ATOM 985 SD MET A 63 -4.955 0.412 -12.666 1.00 0.00 S ATOM 986 CE MET A 63 -6.597 0.013 -13.323 1.00 0.00 C ATOM 0 H MET A 63 -3.518 5.304 -13.832 1.00 0.00 H new ATOM 0 HA MET A 63 -6.295 4.463 -13.328 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.749 2.815 -14.170 1.00 0.00 H new ATOM 0 HB3 MET A 63 -3.564 3.219 -12.944 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.883 2.299 -11.186 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.342 2.302 -12.156 1.00 0.00 H new ATOM 0 HE1 MET A 63 -6.570 -0.968 -13.798 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.322 0.002 -12.509 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.887 0.764 -14.058 1.00 0.00 H new ATOM 996 N ASP A 64 -6.366 5.590 -11.062 1.00 0.00 N ATOM 997 CA ASP A 64 -6.460 5.984 -9.658 1.00 0.00 C ATOM 998 C ASP A 64 -6.279 4.767 -8.740 1.00 0.00 C ATOM 999 O ASP A 64 -6.475 3.617 -9.144 1.00 0.00 O ATOM 1000 CB ASP A 64 -7.744 6.775 -9.353 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.958 5.931 -8.956 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -9.024 5.439 -7.810 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.951 5.907 -9.722 1.00 0.00 O ATOM 0 H ASP A 64 -7.206 5.769 -11.612 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.641 6.673 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.534 7.479 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.005 7.364 -10.232 1.00 0.00 H new ATOM 1008 N GLY A 65 -5.896 5.009 -7.487 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.463 3.954 -6.585 1.00 0.00 C ATOM 1010 C GLY A 65 -6.587 2.992 -6.212 1.00 0.00 C ATOM 1011 O GLY A 65 -6.301 1.836 -5.884 1.00 0.00 O ATOM 0 H GLY A 65 -5.879 5.941 -7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.653 3.394 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.059 4.402 -5.677 1.00 0.00 H new ATOM 1015 N LEU A 66 -7.850 3.429 -6.251 1.00 0.00 N ATOM 1016 CA LEU A 66 -8.984 2.552 -5.995 1.00 0.00 C ATOM 1017 C LEU A 66 -9.164 1.616 -7.185 1.00 0.00 C ATOM 1018 O LEU A 66 -9.409 0.430 -6.983 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.247 3.383 -5.669 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.378 2.682 -4.904 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -12.268 1.795 -5.755 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -10.887 1.832 -3.741 1.00 0.00 C ATOM 0 H LEU A 66 -8.108 4.394 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.800 1.933 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.937 4.253 -5.089 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.656 3.755 -6.608 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.961 3.528 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -13.037 1.343 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.740 2.394 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.667 1.010 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.739 1.366 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.216 1.058 -4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.353 2.462 -3.029 1.00 0.00 H new ATOM 1034 N GLU A 67 -8.961 2.099 -8.413 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.988 1.267 -9.614 1.00 0.00 C ATOM 1036 C GLU A 67 -7.826 0.270 -9.626 1.00 0.00 C ATOM 1037 O GLU A 67 -8.039 -0.891 -9.986 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.983 2.138 -10.884 1.00 0.00 C ATOM 1039 CG GLU A 67 -10.321 2.845 -11.119 1.00 0.00 C ATOM 1040 CD GLU A 67 -11.406 1.860 -11.552 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -12.025 1.208 -10.679 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -11.631 1.688 -12.770 1.00 0.00 O ATOM 0 H GLU A 67 -8.772 3.084 -8.601 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.914 0.693 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.191 2.883 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.749 1.514 -11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.632 3.352 -10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.199 3.613 -11.883 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.620 0.671 -9.203 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.489 -0.250 -9.037 1.00 0.00 C ATOM 1051 C LEU A 68 -5.883 -1.375 -8.076 1.00 0.00 C ATOM 1052 O LEU A 68 -5.718 -2.558 -8.395 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.241 0.500 -8.531 1.00 0.00 C ATOM 1054 CG LEU A 68 -3.030 -0.419 -8.249 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.458 -1.043 -9.530 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -1.934 0.379 -7.537 1.00 0.00 C ATOM 0 H LEU A 68 -6.402 1.639 -8.967 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.239 -0.685 -10.004 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.953 1.247 -9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.497 1.037 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.380 -1.234 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.610 -1.679 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.227 -1.641 -10.018 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.130 -0.252 -10.205 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.081 -0.270 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.619 1.209 -8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.321 0.767 -6.595 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.441 -1.002 -6.918 1.00 0.00 N ATOM 1069 CA LEU A 69 -6.979 -1.950 -5.958 1.00 0.00 C ATOM 1070 C LEU A 69 -7.985 -2.856 -6.662 1.00 0.00 C ATOM 1071 O LEU A 69 -7.773 -4.063 -6.654 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.532 -1.228 -4.714 1.00 0.00 C ATOM 1073 CG LEU A 69 -8.626 -1.985 -3.939 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.212 -3.371 -3.468 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -8.990 -1.270 -2.634 1.00 0.00 C ATOM 0 H LEU A 69 -6.528 -0.028 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.188 -2.594 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.704 -1.026 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.933 -0.263 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.442 -2.037 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.039 -3.835 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.949 -3.984 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.351 -3.288 -2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.765 -1.833 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.106 -1.198 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.358 -0.269 -2.858 1.00 0.00 H new ATOM 1087 N LYS A 70 -9.054 -2.345 -7.281 1.00 0.00 N ATOM 1088 CA LYS A 70 -10.083 -3.243 -7.815 1.00 0.00 C ATOM 1089 C LYS A 70 -9.542 -4.168 -8.895 1.00 0.00 C ATOM 1090 O LYS A 70 -10.012 -5.298 -8.981 1.00 0.00 O ATOM 1091 CB LYS A 70 -11.287 -2.522 -8.410 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.962 -1.485 -7.514 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.487 -1.573 -7.651 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.168 -0.568 -6.734 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.637 -0.655 -6.793 1.00 0.00 N ATOM 0 H LYS A 70 -9.227 -1.350 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.401 -3.810 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.971 -2.027 -9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.030 -3.269 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.674 -1.649 -6.476 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.623 -0.485 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.776 -1.383 -8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.822 -2.581 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.838 -0.735 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.856 0.439 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.053 0.050 -6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.957 -0.469 -7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.940 -1.607 -6.505 1.00 0.00 H new ATOM 1109 N THR A 71 -8.566 -3.720 -9.681 1.00 0.00 N ATOM 1110 CA THR A 71 -7.874 -4.533 -10.669 1.00 0.00 C ATOM 1111 C THR A 71 -7.212 -5.721 -9.966 1.00 0.00 C ATOM 1112 O THR A 71 -7.411 -6.868 -10.373 1.00 0.00 O ATOM 1113 CB THR A 71 -6.880 -3.627 -11.417 1.00 0.00 C ATOM 1114 OG1 THR A 71 -7.606 -2.563 -11.999 1.00 0.00 O ATOM 1115 CG2 THR A 71 -6.079 -4.318 -12.519 1.00 0.00 C ATOM 0 H THR A 71 -8.229 -2.758 -9.645 1.00 0.00 H new ATOM 0 HA THR A 71 -8.556 -4.954 -11.408 1.00 0.00 H new ATOM 0 HB THR A 71 -6.152 -3.297 -10.676 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.686 -1.830 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.407 -3.598 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.496 -5.132 -12.089 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.762 -4.718 -13.269 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.475 -5.467 -8.879 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.789 -6.514 -8.126 1.00 0.00 C ATOM 1125 C ILE A 72 -6.870 -7.422 -7.521 1.00 0.00 C ATOM 1126 O ILE A 72 -6.783 -8.646 -7.588 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.924 -5.846 -7.030 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.630 -5.275 -7.648 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.518 -6.862 -5.945 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -3.057 -4.157 -6.761 1.00 0.00 C ATOM 0 H ILE A 72 -6.340 -4.530 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.130 -7.112 -8.755 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.522 -5.051 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.893 -6.070 -7.763 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.837 -4.886 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.911 -6.364 -5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.413 -7.273 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.942 -7.668 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.145 -3.766 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.789 -3.355 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.830 -4.557 -5.773 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.898 -6.827 -6.909 1.00 0.00 N ATOM 1143 CA ARG A 73 -8.943 -7.531 -6.181 1.00 0.00 C ATOM 1144 C ARG A 73 -9.881 -8.313 -7.102 1.00 0.00 C ATOM 1145 O ARG A 73 -10.539 -9.231 -6.611 1.00 0.00 O ATOM 1146 CB ARG A 73 -9.695 -6.545 -5.257 1.00 0.00 C ATOM 1147 CG ARG A 73 -9.277 -6.778 -3.781 1.00 0.00 C ATOM 1148 CD ARG A 73 -10.071 -7.840 -3.003 1.00 0.00 C ATOM 1149 NE ARG A 73 -10.454 -8.978 -3.840 1.00 0.00 N ATOM 1150 CZ ARG A 73 -10.670 -10.250 -3.515 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -10.491 -10.710 -2.282 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -11.055 -11.065 -4.488 1.00 0.00 N ATOM 0 H ARG A 73 -8.024 -5.815 -6.910 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.470 -8.288 -5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.473 -5.519 -5.549 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.771 -6.681 -5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.224 -7.059 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.362 -5.831 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.472 -8.195 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.968 -7.384 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.574 -8.762 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.177 -10.081 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.668 -11.693 -2.074 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.173 -10.707 -5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.233 -12.049 -4.288 1.00 0.00 H new ATOM 1166 N ALA A 74 -9.960 -7.986 -8.390 1.00 0.00 N ATOM 1167 CA ALA A 74 -10.707 -8.766 -9.364 1.00 0.00 C ATOM 1168 C ALA A 74 -9.978 -10.070 -9.687 1.00 0.00 C ATOM 1169 O ALA A 74 -10.601 -10.983 -10.226 1.00 0.00 O ATOM 1170 CB ALA A 74 -10.894 -7.954 -10.653 1.00 0.00 C ATOM 0 H ALA A 74 -9.502 -7.165 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.681 -9.004 -8.936 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.454 -8.545 -11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.442 -7.039 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.919 -7.701 -11.068 1.00 0.00 H new ATOM 1176 N ASP A 75 -8.672 -10.155 -9.431 1.00 0.00 N ATOM 1177 CA ASP A 75 -7.862 -11.297 -9.831 1.00 0.00 C ATOM 1178 C ASP A 75 -8.127 -12.477 -8.901 1.00 0.00 C ATOM 1179 O ASP A 75 -8.507 -12.283 -7.745 1.00 0.00 O ATOM 1180 CB ASP A 75 -6.385 -10.917 -9.792 1.00 0.00 C ATOM 1181 CG ASP A 75 -5.544 -11.959 -10.514 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -5.488 -11.918 -11.764 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -4.968 -12.826 -9.818 1.00 0.00 O ATOM 0 H ASP A 75 -8.149 -9.430 -8.939 1.00 0.00 H new ATOM 0 HA ASP A 75 -8.128 -11.587 -10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.243 -9.941 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.054 -10.828 -8.757 1.00 0.00 H new ATOM 1188 N GLY A 76 -7.920 -13.704 -9.374 1.00 0.00 N ATOM 1189 CA GLY A 76 -8.163 -14.907 -8.587 1.00 0.00 C ATOM 1190 C GLY A 76 -7.017 -15.263 -7.638 1.00 0.00 C ATOM 1191 O GLY A 76 -7.209 -16.124 -6.770 1.00 0.00 O ATOM 0 H GLY A 76 -7.578 -13.891 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.075 -14.772 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.336 -15.744 -9.263 1.00 0.00 H new ATOM 1195 N ALA A 77 -5.837 -14.649 -7.793 1.00 0.00 N ATOM 1196 CA ALA A 77 -4.634 -14.945 -7.022 1.00 0.00 C ATOM 1197 C ALA A 77 -4.008 -13.682 -6.432 1.00 0.00 C ATOM 1198 O ALA A 77 -3.621 -13.699 -5.260 1.00 0.00 O ATOM 1199 CB ALA A 77 -3.633 -15.698 -7.901 1.00 0.00 C ATOM 0 H ALA A 77 -5.694 -13.910 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.915 -15.577 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.735 -15.918 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.081 -16.630 -8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.369 -15.083 -8.761 1.00 0.00 H new ATOM 1205 N MET A 78 -3.937 -12.575 -7.184 1.00 0.00 N ATOM 1206 CA MET A 78 -3.476 -11.296 -6.633 1.00 0.00 C ATOM 1207 C MET A 78 -4.424 -10.771 -5.550 1.00 0.00 C ATOM 1208 O MET A 78 -4.041 -9.909 -4.764 1.00 0.00 O ATOM 1209 CB MET A 78 -3.255 -10.230 -7.722 1.00 0.00 C ATOM 1210 CG MET A 78 -2.156 -10.561 -8.734 1.00 0.00 C ATOM 1211 SD MET A 78 -0.477 -10.514 -8.044 1.00 0.00 S ATOM 1212 CE MET A 78 0.487 -10.714 -9.571 1.00 0.00 C ATOM 0 H MET A 78 -4.192 -12.540 -8.171 1.00 0.00 H new ATOM 0 HA MET A 78 -2.509 -11.496 -6.172 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.191 -10.082 -8.260 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.011 -9.284 -7.239 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.341 -11.554 -9.144 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.216 -9.857 -9.564 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.551 -10.708 -9.333 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.227 -11.661 -10.044 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.263 -9.894 -10.253 1.00 0.00 H new ATOM 1222 N SER A 79 -5.618 -11.342 -5.427 1.00 0.00 N ATOM 1223 CA SER A 79 -6.569 -11.100 -4.355 1.00 0.00 C ATOM 1224 C SER A 79 -5.983 -11.343 -2.956 1.00 0.00 C ATOM 1225 O SER A 79 -6.499 -10.779 -1.989 1.00 0.00 O ATOM 1226 CB SER A 79 -7.782 -12.003 -4.584 1.00 0.00 C ATOM 1227 OG SER A 79 -7.373 -13.321 -4.906 1.00 0.00 O ATOM 0 H SER A 79 -5.963 -12.019 -6.108 1.00 0.00 H new ATOM 0 HA SER A 79 -6.848 -10.047 -4.382 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.404 -12.019 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.394 -11.600 -5.391 1.00 0.00 H new ATOM 0 HG SER A 79 -8.163 -13.883 -5.047 1.00 0.00 H new ATOM 1233 N ALA A 80 -4.917 -12.142 -2.823 1.00 0.00 N ATOM 1234 CA ALA A 80 -4.236 -12.354 -1.550 1.00 0.00 C ATOM 1235 C ALA A 80 -3.463 -11.111 -1.080 1.00 0.00 C ATOM 1236 O ALA A 80 -3.167 -11.001 0.114 1.00 0.00 O ATOM 1237 CB ALA A 80 -3.280 -13.544 -1.680 1.00 0.00 C ATOM 0 H ALA A 80 -4.505 -12.659 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.998 -12.558 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.769 -13.706 -0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.845 -14.438 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.544 -13.337 -2.457 1.00 0.00 H new ATOM 1243 N LEU A 81 -3.129 -10.178 -1.979 1.00 0.00 N ATOM 1244 CA LEU A 81 -2.243 -9.054 -1.686 1.00 0.00 C ATOM 1245 C LEU A 81 -2.819 -8.151 -0.592 1.00 0.00 C ATOM 1246 O LEU A 81 -4.003 -7.815 -0.667 1.00 0.00 O ATOM 1247 CB LEU A 81 -2.045 -8.188 -2.946 1.00 0.00 C ATOM 1248 CG LEU A 81 -1.002 -8.718 -3.947 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -1.052 -7.823 -5.192 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.405 -8.729 -3.330 1.00 0.00 C ATOM 0 H LEU A 81 -3.472 -10.186 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.296 -9.477 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.003 -8.095 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.751 -7.185 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.232 -9.749 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.322 -8.174 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.050 -7.863 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.819 -6.796 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.120 -9.108 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.684 -7.715 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.411 -9.371 -2.449 1.00 0.00 H new ATOM 1262 N PRO A 82 -2.000 -7.651 0.351 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.318 -6.488 1.160 1.00 0.00 C ATOM 1264 C PRO A 82 -2.201 -5.227 0.291 1.00 0.00 C ATOM 1265 O PRO A 82 -1.220 -4.476 0.342 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.347 -6.511 2.342 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.120 -7.182 1.747 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.665 -8.120 0.668 1.00 0.00 C ATOM 0 HA PRO A 82 -3.338 -6.493 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.125 -5.507 2.704 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.748 -7.073 3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.564 -6.448 1.322 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.435 -7.734 2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.028 -8.105 -0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.690 -9.149 1.025 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.225 -5.022 -0.527 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.598 -3.756 -1.139 1.00 0.00 C ATOM 1278 C VAL A 83 -3.917 -2.779 -0.015 1.00 0.00 C ATOM 1279 O VAL A 83 -4.829 -3.032 0.782 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.802 -3.955 -2.079 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -4.316 -4.467 -3.434 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.889 -4.899 -1.512 1.00 0.00 C ATOM 0 H VAL A 83 -3.853 -5.779 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.784 -3.360 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.277 -2.980 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.169 -4.607 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.631 -3.742 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.801 -5.418 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.704 -4.989 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.457 -5.883 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.273 -4.491 -0.577 1.00 0.00 H new ATOM 1292 N LEU A 84 -3.116 -1.730 0.137 1.00 0.00 N ATOM 1293 CA LEU A 84 -3.115 -0.886 1.314 1.00 0.00 C ATOM 1294 C LEU A 84 -3.136 0.574 0.891 1.00 0.00 C ATOM 1295 O LEU A 84 -2.185 1.073 0.288 1.00 0.00 O ATOM 1296 CB LEU A 84 -1.899 -1.237 2.168 1.00 0.00 C ATOM 1297 CG LEU A 84 -1.784 -0.307 3.379 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -2.999 -0.399 4.308 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.503 -0.640 4.134 1.00 0.00 C ATOM 0 H LEU A 84 -2.439 -1.442 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.006 -1.054 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.975 -2.270 2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.994 -1.165 1.564 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.752 0.721 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.866 0.280 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.899 -0.123 3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.098 -1.420 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.410 0.016 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.536 -1.677 4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.354 -0.497 3.476 1.00 0.00 H new ATOM 1311 N MET A 85 -4.234 1.248 1.214 1.00 0.00 N ATOM 1312 CA MET A 85 -4.472 2.610 0.759 1.00 0.00 C ATOM 1313 C MET A 85 -3.915 3.566 1.810 1.00 0.00 C ATOM 1314 O MET A 85 -4.352 3.510 2.960 1.00 0.00 O ATOM 1315 CB MET A 85 -5.969 2.820 0.493 1.00 0.00 C ATOM 1316 CG MET A 85 -6.566 1.647 -0.303 1.00 0.00 C ATOM 1317 SD MET A 85 -8.058 2.039 -1.233 1.00 0.00 S ATOM 1318 CE MET A 85 -7.290 2.794 -2.695 1.00 0.00 C ATOM 0 H MET A 85 -4.980 0.867 1.796 1.00 0.00 H new ATOM 0 HA MET A 85 -3.963 2.806 -0.185 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.497 2.925 1.440 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.116 3.749 -0.059 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.811 1.276 -0.996 1.00 0.00 H new ATOM 0 HG3 MET A 85 -6.790 0.835 0.389 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.064 3.215 -3.336 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.609 3.585 -2.381 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.735 2.036 -3.247 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.950 4.409 1.448 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.222 5.308 2.336 1.00 0.00 C ATOM 1330 C VAL A 86 -2.365 6.711 1.751 1.00 0.00 C ATOM 1331 O VAL A 86 -1.736 7.032 0.749 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.759 4.831 2.468 1.00 0.00 C ATOM 1333 CG1 VAL A 86 0.089 5.789 3.297 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.687 3.481 3.187 1.00 0.00 C ATOM 0 H VAL A 86 -2.641 4.486 0.479 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.619 5.315 3.351 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.381 4.770 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.109 5.410 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.096 6.771 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.331 5.872 4.300 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.354 3.167 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.115 3.577 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.248 2.737 2.621 1.00 0.00 H new ATOM 1344 N THR A 87 -3.253 7.535 2.309 1.00 0.00 N ATOM 1345 CA THR A 87 -3.685 8.758 1.640 1.00 0.00 C ATOM 1346 C THR A 87 -3.948 9.880 2.654 1.00 0.00 C ATOM 1347 O THR A 87 -3.901 9.675 3.872 1.00 0.00 O ATOM 1348 CB THR A 87 -4.882 8.397 0.735 1.00 0.00 C ATOM 1349 OG1 THR A 87 -5.207 9.459 -0.131 1.00 0.00 O ATOM 1350 CG2 THR A 87 -6.142 7.982 1.502 1.00 0.00 C ATOM 0 H THR A 87 -3.685 7.377 3.220 1.00 0.00 H new ATOM 0 HA THR A 87 -2.903 9.168 1.000 1.00 0.00 H new ATOM 0 HB THR A 87 -4.547 7.531 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.789 9.308 -1.004 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.937 7.745 0.795 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.925 7.105 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 87 -6.462 8.801 2.146 1.00 0.00 H new ATOM 1358 N ALA A 88 -4.193 11.099 2.168 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.470 12.248 3.019 1.00 0.00 C ATOM 1360 C ALA A 88 -5.962 12.419 3.329 1.00 0.00 C ATOM 1361 O ALA A 88 -6.311 13.224 4.198 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.928 13.511 2.352 1.00 0.00 C ATOM 0 H ALA A 88 -4.204 11.313 1.171 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.972 12.074 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.133 14.374 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.852 13.414 2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.412 13.648 1.385 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.849 11.732 2.607 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.292 11.890 2.722 1.00 0.00 C ATOM 1370 C GLU A 89 -8.872 10.920 3.746 1.00 0.00 C ATOM 1371 O GLU A 89 -8.750 9.708 3.586 1.00 0.00 O ATOM 1372 CB GLU A 89 -8.952 11.685 1.352 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.526 12.814 0.405 1.00 0.00 C ATOM 1374 CD GLU A 89 -9.266 12.833 -0.932 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -10.293 12.138 -1.099 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.819 13.580 -1.828 1.00 0.00 O ATOM 0 H GLU A 89 -6.574 11.037 1.913 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.500 12.902 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.662 10.719 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.037 11.674 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.682 13.769 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.457 12.726 0.213 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.573 11.430 4.761 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.466 10.643 5.608 1.00 0.00 C ATOM 1385 C ALA A 90 -11.873 10.569 4.986 1.00 0.00 C ATOM 1386 O ALA A 90 -12.852 10.369 5.707 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.528 11.252 7.016 1.00 0.00 C ATOM 0 H ALA A 90 -9.534 12.416 5.020 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.074 9.629 5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.196 10.658 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.530 11.257 7.455 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.902 12.274 6.954 1.00 0.00 H new ATOM 1393 N LYS A 91 -11.987 10.809 3.672 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.238 10.880 2.927 1.00 0.00 C ATOM 1395 C LYS A 91 -14.059 9.634 3.226 1.00 0.00 C ATOM 1396 O LYS A 91 -13.638 8.530 2.888 1.00 0.00 O ATOM 1397 CB LYS A 91 -12.937 11.067 1.435 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.191 11.082 0.555 1.00 0.00 C ATOM 1399 CD LYS A 91 -15.157 12.236 0.856 1.00 0.00 C ATOM 1400 CE LYS A 91 -16.275 12.262 -0.195 1.00 0.00 C ATOM 1401 NZ LYS A 91 -16.324 13.527 -0.948 1.00 0.00 N ATOM 0 H LYS A 91 -11.171 10.965 3.080 1.00 0.00 H new ATOM 0 HA LYS A 91 -13.833 11.741 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.395 12.002 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.279 10.264 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.887 11.141 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.721 10.138 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -15.584 12.116 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -14.619 13.184 0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.132 11.436 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.234 12.101 0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -17.097 13.488 -1.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.489 14.316 -0.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.421 13.672 -1.443 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.218 9.792 3.864 1.00 0.00 N ATOM 1416 CA LYS A 92 -16.024 8.651 4.274 1.00 0.00 C ATOM 1417 C LYS A 92 -16.382 7.800 3.056 1.00 0.00 C ATOM 1418 O LYS A 92 -16.235 6.586 3.113 1.00 0.00 O ATOM 1419 CB LYS A 92 -17.237 9.125 5.080 1.00 0.00 C ATOM 1420 CG LYS A 92 -17.922 7.953 5.794 1.00 0.00 C ATOM 1421 CD LYS A 92 -19.152 8.449 6.567 1.00 0.00 C ATOM 1422 CE LYS A 92 -20.055 7.308 7.045 1.00 0.00 C ATOM 1423 NZ LYS A 92 -20.598 6.513 5.924 1.00 0.00 N ATOM 0 H LYS A 92 -15.616 10.699 4.106 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.454 8.004 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -16.922 9.867 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -17.949 9.616 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -18.221 7.199 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -17.221 7.475 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.823 9.031 7.428 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -19.729 9.120 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -19.490 6.655 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.879 7.720 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.636 6.486 5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -20.318 6.949 5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.223 5.544 5.972 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.744 8.414 1.928 1.00 0.00 N ATOM 1438 CA GLU A 93 -16.974 7.673 0.687 1.00 0.00 C ATOM 1439 C GLU A 93 -15.738 6.896 0.219 1.00 0.00 C ATOM 1440 O GLU A 93 -15.906 5.825 -0.351 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.403 8.628 -0.429 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.877 9.025 -0.326 1.00 0.00 C ATOM 1443 CD GLU A 93 -19.112 10.393 -0.957 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -18.841 10.585 -2.164 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -19.575 11.314 -0.246 1.00 0.00 O ATOM 0 H GLU A 93 -16.884 9.421 1.849 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.763 6.953 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.785 9.525 -0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -17.224 8.156 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.496 8.278 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.181 9.045 0.720 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.514 7.379 0.462 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.307 6.615 0.138 1.00 0.00 C ATOM 1454 C ASN A 94 -13.209 5.409 1.060 1.00 0.00 C ATOM 1455 O ASN A 94 -12.842 4.334 0.598 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.001 7.417 0.264 1.00 0.00 C ATOM 1457 CG ASN A 94 -11.744 8.417 -0.852 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.666 8.876 -1.519 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -10.493 8.800 -1.045 1.00 0.00 N ATOM 0 H ASN A 94 -14.335 8.292 0.880 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.410 6.327 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.012 7.952 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.166 6.717 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.276 9.492 -1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.745 8.403 -0.477 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.553 5.550 2.349 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.625 4.396 3.244 1.00 0.00 C ATOM 1468 C ILE A 95 -14.630 3.379 2.659 1.00 0.00 C ATOM 1469 O ILE A 95 -14.307 2.187 2.633 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.933 4.806 4.714 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.698 5.348 5.474 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -14.413 3.585 5.521 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.384 6.824 5.210 1.00 0.00 C ATOM 0 H ILE A 95 -13.782 6.442 2.787 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.649 3.914 3.301 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.690 5.587 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.856 5.209 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.828 4.751 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.624 3.887 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -15.319 3.182 5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.636 2.820 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.504 7.117 5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.190 6.970 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.234 7.436 5.511 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.810 3.819 2.186 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.793 2.948 1.532 1.00 0.00 C ATOM 1487 C ILE A 96 -16.134 2.285 0.326 1.00 0.00 C ATOM 1488 O ILE A 96 -16.114 1.062 0.269 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.117 3.678 1.152 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -19.096 3.772 2.341 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -18.892 2.978 0.014 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -18.733 4.866 3.335 1.00 0.00 C ATOM 0 H ILE A 96 -16.106 4.793 2.249 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.100 2.185 2.247 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.787 4.667 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -20.101 3.955 1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -19.120 2.813 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.803 3.536 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.269 2.939 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.151 1.964 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.462 4.877 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.740 4.673 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -18.737 5.832 2.830 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.627 3.052 -0.639 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.099 2.520 -1.886 1.00 0.00 C ATOM 1506 C ALA A 97 -13.957 1.536 -1.624 1.00 0.00 C ATOM 1507 O ALA A 97 -13.907 0.483 -2.255 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.673 3.667 -2.802 1.00 0.00 C ATOM 0 H ALA A 97 -15.573 4.068 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 97 -15.884 1.960 -2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.279 3.261 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.534 4.300 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.902 4.259 -2.309 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.072 1.831 -0.670 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.038 0.903 -0.229 1.00 0.00 C ATOM 1516 C ALA A 98 -12.667 -0.396 0.266 1.00 0.00 C ATOM 1517 O ALA A 98 -12.227 -1.473 -0.127 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.186 1.514 0.890 1.00 0.00 C ATOM 0 H ALA A 98 -13.055 2.726 -0.181 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.394 0.694 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.423 0.799 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.706 2.423 0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.822 1.755 1.741 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.664 -0.320 1.149 1.00 0.00 N ATOM 1525 CA ALA A 99 -14.292 -1.499 1.728 1.00 0.00 C ATOM 1526 C ALA A 99 -15.067 -2.310 0.676 1.00 0.00 C ATOM 1527 O ALA A 99 -14.986 -3.540 0.663 1.00 0.00 O ATOM 1528 CB ALA A 99 -15.202 -1.049 2.874 1.00 0.00 C ATOM 0 H ALA A 99 -14.055 0.562 1.480 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.521 -2.166 2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.682 -1.920 3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.608 -0.534 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.965 -0.372 2.489 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.764 -1.632 -0.239 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.419 -2.185 -1.419 1.00 0.00 C ATOM 1536 C GLN A 100 -15.390 -2.980 -2.223 1.00 0.00 C ATOM 1537 O GLN A 100 -15.569 -4.173 -2.483 1.00 0.00 O ATOM 1538 CB GLN A 100 -16.998 -1.035 -2.273 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.192 -0.296 -1.650 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.529 -0.851 -2.121 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -19.724 -2.059 -2.199 1.00 0.00 O ATOM 1542 NE2 GLN A 100 -20.475 0.004 -2.463 1.00 0.00 N ATOM 0 H GLN A 100 -15.892 -0.622 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.236 -2.844 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.205 -0.313 -2.467 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.304 -1.439 -3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.134 -0.369 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.132 0.763 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -20.304 1.007 -2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.376 -0.339 -2.795 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.285 -2.326 -2.587 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.193 -2.902 -3.342 1.00 0.00 C ATOM 1553 C ALA A 101 -12.434 -3.980 -2.558 1.00 0.00 C ATOM 1554 O ALA A 101 -11.661 -4.733 -3.145 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.260 -1.767 -3.740 1.00 0.00 C ATOM 0 H ALA A 101 -14.130 -1.346 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.596 -3.405 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.423 -2.168 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.804 -1.045 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.884 -1.274 -2.844 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.649 -4.078 -1.245 1.00 0.00 N ATOM 1562 CA GLY A 102 -12.025 -5.065 -0.389 1.00 0.00 C ATOM 1563 C GLY A 102 -10.569 -4.732 -0.084 1.00 0.00 C ATOM 1564 O GLY A 102 -9.760 -5.662 -0.008 1.00 0.00 O ATOM 0 H GLY A 102 -13.280 -3.453 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.582 -5.136 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.079 -6.043 -0.867 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.214 -3.451 0.093 1.00 0.00 N ATOM 1569 CA ALA A 103 -8.856 -3.069 0.471 1.00 0.00 C ATOM 1570 C ALA A 103 -8.495 -3.718 1.803 1.00 0.00 C ATOM 1571 O ALA A 103 -9.355 -3.815 2.685 1.00 0.00 O ATOM 1572 CB ALA A 103 -8.689 -1.550 0.606 1.00 0.00 C ATOM 0 H ALA A 103 -10.854 -2.665 -0.021 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.194 -3.412 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.662 -1.321 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.919 -1.073 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.368 -1.176 1.372 1.00 0.00 H new ATOM 1578 N SER A 104 -7.230 -4.098 1.985 1.00 0.00 N ATOM 1579 CA SER A 104 -6.792 -4.701 3.234 1.00 0.00 C ATOM 1580 C SER A 104 -6.755 -3.675 4.371 1.00 0.00 C ATOM 1581 O SER A 104 -6.884 -4.051 5.542 1.00 0.00 O ATOM 1582 CB SER A 104 -5.443 -5.394 3.040 1.00 0.00 C ATOM 1583 OG SER A 104 -4.363 -4.492 2.892 1.00 0.00 O ATOM 0 H SER A 104 -6.497 -3.997 1.283 1.00 0.00 H new ATOM 0 HA SER A 104 -7.519 -5.459 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.250 -6.043 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.495 -6.034 2.159 1.00 0.00 H new ATOM 0 HG SER A 104 -4.613 -3.782 2.265 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.608 -2.385 4.051 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.664 -1.318 5.026 1.00 0.00 C ATOM 1591 C GLY A 105 -6.691 0.055 4.374 1.00 0.00 C ATOM 1592 O GLY A 105 -6.328 0.207 3.201 1.00 0.00 O ATOM 0 H GLY A 105 -6.446 -2.061 3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.552 -1.441 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.801 -1.387 5.688 1.00 0.00 H new ATOM 1596 N TYR A 106 -7.081 1.045 5.179 1.00 0.00 N ATOM 1597 CA TYR A 106 -7.255 2.431 4.790 1.00 0.00 C ATOM 1598 C TYR A 106 -6.595 3.306 5.854 1.00 0.00 C ATOM 1599 O TYR A 106 -7.025 3.351 7.010 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.748 2.734 4.611 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.979 4.058 3.922 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -8.951 4.118 2.517 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.173 5.234 4.671 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -9.090 5.352 1.865 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.343 6.465 4.013 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.278 6.533 2.606 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.372 7.726 1.962 1.00 0.00 O ATOM 0 H TYR A 106 -7.292 0.887 6.164 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.779 2.641 3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.212 1.937 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.235 2.743 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.822 3.214 1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.191 5.191 5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -9.052 5.396 0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.524 7.362 4.587 1.00 0.00 H new ATOM 0 HH TYR A 106 -9.344 8.454 2.617 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.497 3.955 5.490 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.529 4.565 6.384 1.00 0.00 C ATOM 1619 C VAL A 107 -4.486 6.052 6.032 1.00 0.00 C ATOM 1620 O VAL A 107 -3.889 6.445 5.030 1.00 0.00 O ATOM 1621 CB VAL A 107 -3.204 3.794 6.231 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -1.989 4.491 6.833 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -3.275 2.428 6.921 1.00 0.00 C ATOM 0 H VAL A 107 -5.247 4.075 4.509 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.777 4.507 7.444 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.079 3.719 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.103 3.876 6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.848 5.458 6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.146 4.638 7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.326 1.907 6.796 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.475 2.567 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.075 1.836 6.475 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.178 6.880 6.817 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.207 8.323 6.592 1.00 0.00 C ATOM 1635 C VAL A 108 -4.057 8.973 7.359 1.00 0.00 C ATOM 1636 O VAL A 108 -3.725 8.535 8.466 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.551 8.956 6.999 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.696 10.304 6.276 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.752 8.080 6.631 1.00 0.00 C ATOM 0 H VAL A 108 -5.728 6.571 7.618 1.00 0.00 H new ATOM 0 HA VAL A 108 -5.091 8.499 5.523 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.544 9.073 8.083 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.644 10.766 6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.875 10.961 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.673 10.143 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.672 8.575 6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.770 7.922 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.669 7.118 7.137 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.461 10.025 6.786 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.415 10.812 7.441 1.00 0.00 C ATOM 1651 C LYS A 109 -2.901 11.376 8.787 1.00 0.00 C ATOM 1652 O LYS A 109 -4.111 11.557 8.955 1.00 0.00 O ATOM 1653 CB LYS A 109 -1.928 11.941 6.507 1.00 0.00 C ATOM 1654 CG LYS A 109 -2.884 13.148 6.417 1.00 0.00 C ATOM 1655 CD LYS A 109 -2.310 14.312 5.598 1.00 0.00 C ATOM 1656 CE LYS A 109 -1.132 14.971 6.330 1.00 0.00 C ATOM 1657 NZ LYS A 109 -1.064 16.426 6.089 1.00 0.00 N ATOM 0 H LYS A 109 -3.694 10.355 5.849 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.573 10.152 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.955 12.289 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.783 11.532 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.824 12.826 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.113 13.498 7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.981 13.949 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.089 15.052 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.224 14.786 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.200 14.508 6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.253 16.826 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.950 16.604 5.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.941 16.875 6.423 1.00 0.00 H new ATOM 1671 N PRO A 110 -1.997 11.808 9.684 1.00 0.00 N ATOM 1672 CA PRO A 110 -0.587 11.450 9.758 1.00 0.00 C ATOM 1673 C PRO A 110 -0.476 10.009 10.251 1.00 0.00 C ATOM 1674 O PRO A 110 -0.774 9.705 11.408 1.00 0.00 O ATOM 1675 CB PRO A 110 0.050 12.437 10.735 1.00 0.00 C ATOM 1676 CG PRO A 110 -1.111 12.864 11.634 1.00 0.00 C ATOM 1677 CD PRO A 110 -2.349 12.718 10.759 1.00 0.00 C ATOM 0 HA PRO A 110 -0.081 11.505 8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.850 11.970 11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.487 13.289 10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.177 12.235 12.522 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.988 13.891 11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.187 12.328 11.337 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.658 13.685 10.362 1.00 0.00 H new ATOM 1685 N PHE A 111 -0.089 9.105 9.361 1.00 0.00 N ATOM 1686 CA PHE A 111 -0.133 7.675 9.596 1.00 0.00 C ATOM 1687 C PHE A 111 1.185 7.224 10.219 1.00 0.00 C ATOM 1688 O PHE A 111 2.054 6.689 9.539 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.508 6.954 8.292 1.00 0.00 C ATOM 1690 CG PHE A 111 -0.055 7.593 6.978 1.00 0.00 C ATOM 1691 CD1 PHE A 111 1.306 7.795 6.663 1.00 0.00 C ATOM 1692 CD2 PHE A 111 -1.031 7.984 6.044 1.00 0.00 C ATOM 1693 CE1 PHE A 111 1.666 8.346 5.422 1.00 0.00 C ATOM 1694 CE2 PHE A 111 -0.674 8.573 4.824 1.00 0.00 C ATOM 1695 CZ PHE A 111 0.679 8.726 4.504 1.00 0.00 C ATOM 0 H PHE A 111 0.270 9.354 8.439 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.909 7.411 10.315 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.097 5.945 8.335 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.593 6.855 8.262 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.071 7.526 7.376 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.075 7.827 6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.709 8.477 5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.437 8.906 4.136 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.963 9.138 3.547 1.00 0.00 H new ATOM 1705 N THR A 112 1.364 7.497 11.506 1.00 0.00 N ATOM 1706 CA THR A 112 2.597 7.266 12.253 1.00 0.00 C ATOM 1707 C THR A 112 2.946 5.779 12.357 1.00 0.00 C ATOM 1708 O THR A 112 2.154 4.918 11.969 1.00 0.00 O ATOM 1709 CB THR A 112 2.455 7.953 13.622 1.00 0.00 C ATOM 1710 OG1 THR A 112 1.138 7.802 14.131 1.00 0.00 O ATOM 1711 CG2 THR A 112 2.766 9.435 13.449 1.00 0.00 C ATOM 0 H THR A 112 0.625 7.901 12.082 1.00 0.00 H new ATOM 0 HA THR A 112 3.442 7.703 11.721 1.00 0.00 H new ATOM 0 HB THR A 112 3.146 7.494 14.329 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.071 8.245 15.003 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.671 9.941 14.410 1.00 0.00 H new ATOM 0 HG22 THR A 112 3.784 9.552 13.076 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.066 9.873 12.737 1.00 0.00 H new ATOM 1719 N ALA A 113 4.133 5.453 12.885 1.00 0.00 N ATOM 1720 CA ALA A 113 4.553 4.068 13.033 1.00 0.00 C ATOM 1721 C ALA A 113 3.573 3.348 13.969 1.00 0.00 C ATOM 1722 O ALA A 113 3.263 2.181 13.751 1.00 0.00 O ATOM 1723 CB ALA A 113 6.016 3.973 13.490 1.00 0.00 C ATOM 0 H ALA A 113 4.815 6.136 13.215 1.00 0.00 H new ATOM 0 HA ALA A 113 4.523 3.563 12.067 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.298 2.925 13.591 1.00 0.00 H new ATOM 0 HB2 ALA A 113 6.659 4.453 12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.130 4.474 14.451 1.00 0.00 H new ATOM 1729 N ALA A 114 2.974 4.086 14.911 1.00 0.00 N ATOM 1730 CA ALA A 114 1.912 3.610 15.782 1.00 0.00 C ATOM 1731 C ALA A 114 0.632 3.185 15.048 1.00 0.00 C ATOM 1732 O ALA A 114 -0.176 2.481 15.654 1.00 0.00 O ATOM 1733 CB ALA A 114 1.571 4.709 16.790 1.00 0.00 C ATOM 0 H ALA A 114 3.228 5.058 15.087 1.00 0.00 H new ATOM 0 HA ALA A 114 2.292 2.713 16.270 1.00 0.00 H new ATOM 0 HB1 ALA A 114 0.775 4.364 17.450 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.455 4.947 17.382 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.240 5.601 16.258 1.00 0.00 H new ATOM 1739 N THR A 115 0.408 3.599 13.796 1.00 0.00 N ATOM 1740 CA THR A 115 -0.699 3.115 12.970 1.00 0.00 C ATOM 1741 C THR A 115 -0.164 2.127 11.920 1.00 0.00 C ATOM 1742 O THR A 115 -0.860 1.179 11.566 1.00 0.00 O ATOM 1743 CB THR A 115 -1.510 4.304 12.393 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.900 4.047 12.425 1.00 0.00 O ATOM 1745 CG2 THR A 115 -1.213 4.639 10.928 1.00 0.00 C ATOM 0 H THR A 115 0.997 4.286 13.325 1.00 0.00 H new ATOM 0 HA THR A 115 -1.414 2.555 13.573 1.00 0.00 H new ATOM 0 HB THR A 115 -1.207 5.134 13.032 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.383 4.816 12.056 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.828 5.483 10.616 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.160 4.898 10.820 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.440 3.775 10.304 1.00 0.00 H new ATOM 1753 N LEU A 116 1.082 2.303 11.448 1.00 0.00 N ATOM 1754 CA LEU A 116 1.766 1.399 10.524 1.00 0.00 C ATOM 1755 C LEU A 116 1.796 -0.005 11.152 1.00 0.00 C ATOM 1756 O LEU A 116 1.460 -0.981 10.477 1.00 0.00 O ATOM 1757 CB LEU A 116 3.177 1.966 10.220 1.00 0.00 C ATOM 1758 CG LEU A 116 4.025 1.424 9.044 1.00 0.00 C ATOM 1759 CD1 LEU A 116 4.093 -0.094 8.993 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.606 1.929 7.659 1.00 0.00 C ATOM 0 H LEU A 116 1.654 3.106 11.711 1.00 0.00 H new ATOM 0 HA LEU A 116 1.244 1.319 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.061 3.038 10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.772 1.841 11.125 1.00 0.00 H new ATOM 0 HG LEU A 116 5.012 1.829 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.703 -0.403 8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.537 -0.469 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.087 -0.500 8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.258 1.495 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.575 1.636 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.687 3.016 7.628 1.00 0.00 H new ATOM 1772 N GLU A 117 2.179 -0.107 12.430 1.00 0.00 N ATOM 1773 CA GLU A 117 2.327 -1.372 13.140 1.00 0.00 C ATOM 1774 C GLU A 117 0.966 -2.037 13.400 1.00 0.00 C ATOM 1775 O GLU A 117 0.832 -3.227 13.118 1.00 0.00 O ATOM 1776 CB GLU A 117 3.214 -1.187 14.388 1.00 0.00 C ATOM 1777 CG GLU A 117 2.581 -0.542 15.633 1.00 0.00 C ATOM 1778 CD GLU A 117 2.271 -1.565 16.734 1.00 0.00 C ATOM 1779 OE1 GLU A 117 1.766 -2.674 16.445 1.00 0.00 O ATOM 1780 OE2 GLU A 117 2.552 -1.283 17.922 1.00 0.00 O ATOM 0 H GLU A 117 2.398 0.706 13.006 1.00 0.00 H new ATOM 0 HA GLU A 117 2.856 -2.085 12.508 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.594 -2.167 14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.075 -0.583 14.100 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.256 0.217 16.027 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.661 -0.033 15.346 1.00 0.00 H new ATOM 1787 N GLU A 118 -0.048 -1.258 13.808 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.464 -1.636 13.890 1.00 0.00 C ATOM 1789 C GLU A 118 -1.885 -2.288 12.578 1.00 0.00 C ATOM 1790 O GLU A 118 -2.233 -3.468 12.560 1.00 0.00 O ATOM 1791 CB GLU A 118 -2.304 -0.416 14.290 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.805 -0.544 13.997 1.00 0.00 C ATOM 1793 CD GLU A 118 -4.673 -1.307 14.994 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -4.394 -2.477 15.336 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -5.807 -0.836 15.249 1.00 0.00 O ATOM 0 H GLU A 118 0.109 -0.295 14.105 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.632 -2.379 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.171 -0.234 15.356 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.919 0.460 13.767 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.213 0.463 13.903 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.914 -1.024 13.025 1.00 0.00 H new ATOM 1802 N LYS A 119 -1.874 -1.545 11.466 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.404 -2.082 10.216 1.00 0.00 C ATOM 1804 C LYS A 119 -1.581 -3.274 9.735 1.00 0.00 C ATOM 1805 O LYS A 119 -2.150 -4.145 9.083 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.609 -0.984 9.159 1.00 0.00 C ATOM 1807 CG LYS A 119 -1.332 -0.279 8.687 1.00 0.00 C ATOM 1808 CD LYS A 119 -0.583 -0.999 7.563 1.00 0.00 C ATOM 1809 CE LYS A 119 0.736 -0.260 7.325 1.00 0.00 C ATOM 1810 NZ LYS A 119 1.657 -0.988 6.422 1.00 0.00 N ATOM 0 H LYS A 119 -1.512 -0.593 11.408 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.404 -2.473 10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.102 -1.425 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -3.289 -0.235 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.591 0.724 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.660 -0.165 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.394 -2.038 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.182 -1.012 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.524 0.722 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 119 1.231 -0.095 8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 2.494 -1.298 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.171 -1.818 6.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.953 -0.360 5.648 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.271 -3.327 10.024 1.00 0.00 N ATOM 1825 CA LEU A 120 0.552 -4.486 9.695 1.00 0.00 C ATOM 1826 C LEU A 120 0.052 -5.697 10.466 1.00 0.00 C ATOM 1827 O LEU A 120 -0.248 -6.705 9.836 1.00 0.00 O ATOM 1828 CB LEU A 120 2.037 -4.259 10.009 1.00 0.00 C ATOM 1829 CG LEU A 120 2.871 -3.581 8.917 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.298 -3.397 9.440 1.00 0.00 C ATOM 1831 CD2 LEU A 120 2.908 -4.362 7.599 1.00 0.00 C ATOM 0 H LEU A 120 0.237 -2.573 10.487 1.00 0.00 H new ATOM 0 HA LEU A 120 0.466 -4.653 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.106 -3.656 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.490 -5.225 10.234 1.00 0.00 H new ATOM 0 HG LEU A 120 2.398 -2.625 8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.907 -2.915 8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.280 -2.775 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.725 -4.370 9.683 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.516 -3.822 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.339 -5.348 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.895 -4.472 7.213 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.070 -5.611 11.794 1.00 0.00 N ATOM 1844 CA ASN A 121 -0.540 -6.742 12.591 1.00 0.00 C ATOM 1845 C ASN A 121 -1.957 -7.128 12.168 1.00 0.00 C ATOM 1846 O ASN A 121 -2.265 -8.309 12.068 1.00 0.00 O ATOM 1847 CB ASN A 121 -0.436 -6.477 14.103 1.00 0.00 C ATOM 1848 CG ASN A 121 0.421 -7.552 14.764 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -0.020 -8.678 14.987 1.00 0.00 O ATOM 1850 ND2 ASN A 121 1.681 -7.262 15.040 1.00 0.00 N ATOM 0 H ASN A 121 0.149 -4.774 12.335 1.00 0.00 H new ATOM 0 HA ASN A 121 0.117 -7.589 12.395 1.00 0.00 H new ATOM 0 HB2 ASN A 121 0.000 -5.494 14.279 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -1.431 -6.469 14.548 1.00 0.00 H new ATOM 0 HD21 ASN A 121 2.292 -7.974 15.440 1.00 0.00 H new ATOM 0 HD22 ASN A 121 2.042 -6.326 14.853 1.00 0.00 H new ATOM 1857 N LYS A 122 -2.788 -6.146 11.804 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.104 -6.370 11.216 1.00 0.00 C ATOM 1859 C LYS A 122 -4.007 -7.319 10.026 1.00 0.00 C ATOM 1860 O LYS A 122 -4.699 -8.328 10.000 1.00 0.00 O ATOM 1861 CB LYS A 122 -4.739 -5.031 10.800 1.00 0.00 C ATOM 1862 CG LYS A 122 -6.263 -5.026 10.941 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.706 -4.759 12.382 1.00 0.00 C ATOM 1864 CE LYS A 122 -6.310 -3.349 12.852 1.00 0.00 C ATOM 1865 NZ LYS A 122 -7.178 -2.894 13.949 1.00 0.00 N ATOM 0 H LYS A 122 -2.557 -5.158 11.913 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.745 -6.835 11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.320 -4.231 11.410 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.474 -4.815 9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.685 -4.264 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.660 -5.986 10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -7.787 -4.876 12.457 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -6.258 -5.501 13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.271 -3.351 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.378 -2.651 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.934 -1.915 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.172 -2.936 13.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.043 -3.509 14.777 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.200 -6.996 9.014 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.166 -7.773 7.772 1.00 0.00 C ATOM 1881 C ILE A 123 -2.281 -9.023 7.874 1.00 0.00 C ATOM 1882 O ILE A 123 -2.471 -9.970 7.102 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.868 -6.856 6.566 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.512 -6.122 6.656 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -4.091 -5.929 6.409 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.454 -4.760 5.949 1.00 0.00 C ATOM 0 H ILE A 123 -2.561 -6.201 9.029 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.159 -8.185 7.595 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.736 -7.448 5.660 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.265 -5.978 7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.741 -6.765 6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.932 -5.256 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.983 -6.530 6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.224 -5.345 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.461 -4.328 6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -1.664 -4.892 4.888 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.196 -4.092 6.385 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.393 -9.092 8.867 1.00 0.00 N ATOM 1899 CA PHE A 124 -0.842 -10.359 9.307 1.00 0.00 C ATOM 1900 C PHE A 124 -2.013 -11.247 9.712 1.00 0.00 C ATOM 1901 O PHE A 124 -2.329 -12.214 9.028 1.00 0.00 O ATOM 1902 CB PHE A 124 0.155 -10.187 10.463 1.00 0.00 C ATOM 1903 CG PHE A 124 1.430 -9.387 10.231 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.931 -9.117 8.940 1.00 0.00 C ATOM 1905 CD2 PHE A 124 2.161 -8.946 11.350 1.00 0.00 C ATOM 1906 CE1 PHE A 124 3.133 -8.408 8.774 1.00 0.00 C ATOM 1907 CE2 PHE A 124 3.358 -8.229 11.187 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.847 -7.959 9.899 1.00 0.00 C ATOM 0 H PHE A 124 -1.045 -8.280 9.377 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.276 -10.817 8.496 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.379 -9.720 11.290 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.448 -11.183 10.794 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.386 -9.458 8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 124 1.798 -9.161 12.344 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.509 -8.208 7.781 1.00 0.00 H new ATOM 0 HE2 PHE A 124 3.903 -7.885 12.054 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.768 -7.409 9.773 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.712 -10.890 10.786 1.00 0.00 N ATOM 1919 CA GLU A 125 -3.664 -11.785 11.412 1.00 0.00 C ATOM 1920 C GLU A 125 -4.890 -12.041 10.533 1.00 0.00 C ATOM 1921 O GLU A 125 -5.437 -13.147 10.544 1.00 0.00 O ATOM 1922 CB GLU A 125 -4.102 -11.189 12.757 1.00 0.00 C ATOM 1923 CG GLU A 125 -2.973 -11.108 13.790 1.00 0.00 C ATOM 1924 CD GLU A 125 -3.514 -10.799 15.184 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -4.277 -9.822 15.360 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -3.251 -11.593 16.119 1.00 0.00 O ATOM 0 H GLU A 125 -2.632 -9.980 11.239 1.00 0.00 H new ATOM 0 HA GLU A 125 -3.172 -12.746 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.501 -10.189 12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.913 -11.792 13.165 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -2.428 -12.052 13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.262 -10.336 13.495 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.364 -11.032 9.798 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.565 -11.128 8.984 1.00 0.00 C ATOM 1935 C LYS A 126 -6.216 -11.892 7.717 1.00 0.00 C ATOM 1936 O LYS A 126 -6.768 -12.973 7.495 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.140 -9.718 8.725 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.616 -9.683 8.296 1.00 0.00 C ATOM 1939 CD LYS A 126 -8.950 -10.320 6.933 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.492 -9.348 5.877 1.00 0.00 C ATOM 1941 NZ LYS A 126 -10.738 -8.682 6.297 1.00 0.00 N ATOM 0 H LYS A 126 -4.915 -10.117 9.755 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.355 -11.679 9.494 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -7.028 -9.125 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.542 -9.235 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.206 -10.186 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -8.941 -8.643 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.050 -10.794 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.685 -11.110 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -8.736 -8.592 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -9.671 -9.891 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -11.209 -8.272 5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -11.369 -9.377 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -10.516 -7.927 6.977 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.381 -11.306 6.851 1.00 0.00 N ATOM 1956 CA LEU A 127 -5.127 -11.858 5.525 1.00 0.00 C ATOM 1957 C LEU A 127 -4.336 -13.157 5.622 1.00 0.00 C ATOM 1958 O LEU A 127 -4.477 -14.014 4.751 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.328 -10.907 4.619 1.00 0.00 C ATOM 1960 CG LEU A 127 -4.703 -9.420 4.602 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -3.923 -8.741 3.475 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.199 -9.153 4.462 1.00 0.00 C ATOM 0 H LEU A 127 -4.870 -10.446 7.051 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.112 -12.023 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.279 -10.980 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.406 -11.280 3.598 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.435 -9.003 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.175 -7.681 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.854 -8.855 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.183 -9.203 2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.378 -8.078 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.560 -9.584 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.729 -9.606 5.299 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.510 -13.285 6.659 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.482 -14.297 6.768 1.00 0.00 C ATOM 1976 C GLY A 128 -1.128 -13.766 6.311 1.00 0.00 C ATOM 1977 O GLY A 128 -0.324 -14.573 5.840 1.00 0.00 O ATOM 0 H GLY A 128 -3.546 -12.664 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.411 -14.636 7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.757 -15.163 6.166 1.00 0.00 H new ATOM 1981 N MET A 129 -0.865 -12.445 6.359 1.00 0.00 N ATOM 1982 CA MET A 129 0.452 -11.959 5.930 1.00 0.00 C ATOM 1983 C MET A 129 1.537 -12.359 6.918 1.00 0.00 C ATOM 1984 O MET A 129 1.270 -12.565 8.121 1.00 0.00 O ATOM 1985 CB MET A 129 0.470 -10.448 5.659 1.00 0.00 C ATOM 1986 CG MET A 129 -0.190 -10.082 4.329 1.00 0.00 C ATOM 1987 SD MET A 129 0.541 -10.830 2.838 1.00 0.00 S ATOM 1988 CE MET A 129 2.253 -10.227 2.926 1.00 0.00 C ATOM 1989 OXT MET A 129 2.703 -12.432 6.475 1.00 0.00 O ATOM 0 H MET A 129 -1.517 -11.727 6.676 1.00 0.00 H new ATOM 0 HA MET A 129 0.666 -12.444 4.978 1.00 0.00 H new ATOM 0 HB2 MET A 129 -0.043 -9.931 6.470 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.501 -10.095 5.658 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.240 -10.369 4.377 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.161 -8.998 4.218 1.00 0.00 H new ATOM 0 HE1 MET A 129 2.778 -10.487 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 129 2.251 -9.144 3.049 1.00 0.00 H new ATOM 0 HE3 MET A 129 2.758 -10.688 3.775 1.00 0.00 H new TER 1999 MET A 129