USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 735 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 63 MET CE :methyl -174:sc= 0 (180deg=0) USER MOD Set 1.2: A 85 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=-0.24) USER MOD Set 2.1: A 76 THR OG1 : rot 176:sc= 1.27 USER MOD Set 2.2: A 117 TYR OH : rot 126:sc= 2.3 USER MOD Set 3.1: A 57 ASN : amide:sc= -0.0924 K(o=-3,f=-5.1) USER MOD Set 3.2: A 58 SER OG : rot 150:sc= -1.76 USER MOD Set 3.3: A 120 ASN : amide:sc= -1.14 K(o=-3,f=-6.2) USER MOD Set 3.4: A 133 THR OG1 : rot 170:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.63 K(o=-0.63,f=-4.6!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 35 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.4) USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0519) USER MOD Single : A 39 ASN : amide:sc= -0.833 K(o=-0.83,f=-5.4!) USER MOD Single : A 42 TYR OH : rot 150:sc= -0.682 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 111:sc= 0.00565 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 65 GLN : amide:sc= -0.802 K(o=-0.8,f=-2.5!) USER MOD Single : A 66 MET CE :methyl 157:sc= -3 (180deg=-5.79!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -30:sc= 1.93 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 94 ASN : amide:sc= 0.452 K(o=0.45,f=-4.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -3.26 K(o=-3.3,f=-6.6!) USER MOD Single : A 101 ASN : amide:sc= -0.352 X(o=-0.35,f=-0.036) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.528 X(o=-0.53,f=-0.54) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -140:sc= -0.0666 USER MOD Single : A 122 SER OG : rot 110:sc= -2.8! USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0325 USER MOD Single : A 131 SER OG : rot -160:sc= -3.33! USER MOD Single : A 144 THR OG1 : rot 29:sc= 0.593 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 9.018 -9.570 3.184 1.00 0.00 N ATOM 17 CA ILE A 22 7.875 -8.964 2.512 1.00 0.00 C ATOM 18 C ILE A 22 8.294 -7.729 1.721 1.00 0.00 C ATOM 19 O ILE A 22 9.162 -6.969 2.152 1.00 0.00 O ATOM 20 CB ILE A 22 6.776 -8.569 3.516 1.00 0.00 C ATOM 21 CG1 ILE A 22 6.260 -9.806 4.255 1.00 0.00 C ATOM 22 CG2 ILE A 22 5.637 -7.857 2.801 1.00 0.00 C ATOM 23 CD1 ILE A 22 5.564 -10.800 3.352 1.00 0.00 C ATOM 0 HA ILE A 22 7.477 -9.713 1.827 1.00 0.00 H new ATOM 0 HB ILE A 22 7.203 -7.884 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 22 7.097 -10.300 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.569 -9.491 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.868 -7.584 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.017 -6.957 2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.209 -8.519 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.224 -11.651 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.707 -10.322 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.259 -11.144 2.586 1.00 0.00 H new ATOM 34 N ASP A 23 7.670 -7.534 0.565 1.00 0.00 N ATOM 35 CA ASP A 23 7.976 -6.390 -0.285 1.00 0.00 C ATOM 36 C ASP A 23 6.721 -5.567 -0.560 1.00 0.00 C ATOM 37 O ASP A 23 5.659 -6.115 -0.859 1.00 0.00 O ATOM 38 CB ASP A 23 8.593 -6.858 -1.605 1.00 0.00 C ATOM 39 CG ASP A 23 9.508 -5.817 -2.218 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.135 -4.624 -2.216 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.598 -6.192 -2.700 1.00 0.00 O ATOM 0 H ASP A 23 6.949 -8.153 0.195 1.00 0.00 H new ATOM 0 HA ASP A 23 8.695 -5.761 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.155 -7.776 -1.434 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.797 -7.098 -2.310 1.00 0.00 H new ATOM 45 N LEU A 24 6.851 -4.249 -0.456 1.00 0.00 N ATOM 46 CA LEU A 24 5.727 -3.349 -0.693 1.00 0.00 C ATOM 47 C LEU A 24 6.049 -2.353 -1.802 1.00 0.00 C ATOM 48 O LEU A 24 6.933 -1.510 -1.655 1.00 0.00 O ATOM 49 CB LEU A 24 5.369 -2.599 0.592 1.00 0.00 C ATOM 50 CG LEU A 24 4.355 -3.285 1.509 1.00 0.00 C ATOM 51 CD1 LEU A 24 4.462 -2.740 2.925 1.00 0.00 C ATOM 52 CD2 LEU A 24 2.943 -3.103 0.972 1.00 0.00 C ATOM 0 H LEU A 24 7.722 -3.780 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 24 4.874 -3.950 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.285 -2.431 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.978 -1.619 0.320 1.00 0.00 H new ATOM 0 HG LEU A 24 4.579 -4.351 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.733 -3.240 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.466 -2.921 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.264 -1.668 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.234 -3.597 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.709 -2.040 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.873 -3.541 -0.024 1.00 0.00 H new ATOM 63 N ASN A 25 5.325 -2.457 -2.912 1.00 0.00 N ATOM 64 CA ASN A 25 5.534 -1.566 -4.047 1.00 0.00 C ATOM 65 C ASN A 25 4.667 -0.316 -3.924 1.00 0.00 C ATOM 66 O ASN A 25 3.593 -0.351 -3.321 1.00 0.00 O ATOM 67 CB ASN A 25 5.221 -2.290 -5.357 1.00 0.00 C ATOM 68 CG ASN A 25 5.521 -3.775 -5.283 1.00 0.00 C ATOM 69 OD1 ASN A 25 6.513 -4.189 -4.681 1.00 0.00 O ATOM 70 ND2 ASN A 25 4.665 -4.583 -5.896 1.00 0.00 N ATOM 0 H ASN A 25 4.589 -3.149 -3.049 1.00 0.00 H new ATOM 0 HA ASN A 25 6.581 -1.263 -4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.170 -2.147 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.803 -1.844 -6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.815 -5.592 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.857 -4.195 -6.382 1.00 0.00 H new ATOM 76 N ILE A 26 5.140 0.784 -4.498 1.00 0.00 N ATOM 77 CA ILE A 26 4.406 2.044 -4.454 1.00 0.00 C ATOM 78 C ILE A 26 4.408 2.729 -5.816 1.00 0.00 C ATOM 79 O ILE A 26 5.466 3.033 -6.370 1.00 0.00 O ATOM 80 CB ILE A 26 5.000 3.005 -3.407 1.00 0.00 C ATOM 81 CG1 ILE A 26 5.179 2.286 -2.067 1.00 0.00 C ATOM 82 CG2 ILE A 26 4.109 4.227 -3.244 1.00 0.00 C ATOM 83 CD1 ILE A 26 3.876 1.842 -1.441 1.00 0.00 C ATOM 0 H ILE A 26 6.027 0.830 -4.999 1.00 0.00 H new ATOM 0 HA ILE A 26 3.381 1.803 -4.173 1.00 0.00 H new ATOM 0 HB ILE A 26 5.979 3.337 -3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.818 1.415 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.698 2.949 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.542 4.897 -2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.028 4.748 -4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.118 3.914 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.079 1.340 -0.495 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.243 2.711 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.365 1.154 -2.114 1.00 0.00 H new ATOM 94 N THR A 27 3.217 2.973 -6.351 1.00 0.00 N ATOM 95 CA THR A 27 3.081 3.624 -7.648 1.00 0.00 C ATOM 96 C THR A 27 3.212 5.138 -7.521 1.00 0.00 C ATOM 97 O THR A 27 3.552 5.654 -6.455 1.00 0.00 O ATOM 98 CB THR A 27 1.728 3.291 -8.304 1.00 0.00 C ATOM 99 OG1 THR A 27 1.756 3.646 -9.692 1.00 0.00 O ATOM 100 CG2 THR A 27 0.594 4.029 -7.610 1.00 0.00 C ATOM 0 H THR A 27 2.332 2.730 -5.906 1.00 0.00 H new ATOM 0 HA THR A 27 3.886 3.244 -8.278 1.00 0.00 H new ATOM 0 HB THR A 27 1.556 2.219 -8.207 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.893 3.430 -10.102 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.351 3.778 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.557 3.735 -6.561 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.763 5.104 -7.680 1.00 0.00 H new ATOM 108 N CYS A 28 2.938 5.845 -8.612 1.00 0.00 N ATOM 109 CA CYS A 28 3.024 7.301 -8.622 1.00 0.00 C ATOM 110 C CYS A 28 2.148 7.905 -7.529 1.00 0.00 C ATOM 111 O CYS A 28 1.251 7.246 -7.001 1.00 0.00 O ATOM 112 CB CYS A 28 2.606 7.847 -9.988 1.00 0.00 C ATOM 113 SG CYS A 28 3.492 7.097 -11.392 1.00 0.00 S ATOM 0 H CYS A 28 2.654 5.433 -9.501 1.00 0.00 H new ATOM 0 HA CYS A 28 4.059 7.581 -8.428 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.536 7.686 -10.120 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.770 8.924 -10.002 1.00 0.00 H new ATOM 117 N ARG A 29 2.411 9.164 -7.195 1.00 0.00 N ATOM 118 CA ARG A 29 1.648 9.858 -6.166 1.00 0.00 C ATOM 119 C ARG A 29 0.839 11.003 -6.768 1.00 0.00 C ATOM 120 O ARG A 29 1.360 12.097 -6.987 1.00 0.00 O ATOM 121 CB ARG A 29 2.585 10.396 -5.081 1.00 0.00 C ATOM 122 CG ARG A 29 3.489 9.335 -4.477 1.00 0.00 C ATOM 123 CD ARG A 29 4.360 9.909 -3.370 1.00 0.00 C ATOM 124 NE ARG A 29 4.810 8.880 -2.438 1.00 0.00 N ATOM 125 CZ ARG A 29 5.235 9.140 -1.207 1.00 0.00 C ATOM 126 NH1 ARG A 29 5.270 10.389 -0.762 1.00 0.00 N ATOM 127 NH2 ARG A 29 5.628 8.150 -0.416 1.00 0.00 N ATOM 0 H ARG A 29 3.148 9.725 -7.623 1.00 0.00 H new ATOM 0 HA ARG A 29 0.957 9.144 -5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.202 11.188 -5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.988 10.847 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.882 8.522 -4.079 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.122 8.909 -5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.226 10.403 -3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.800 10.670 -2.827 1.00 0.00 H new ATOM 0 HE ARG A 29 4.797 7.909 -2.749 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.970 11.154 -1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.597 10.584 0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.604 7.188 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.954 8.351 0.529 1.00 0.00 H new ATOM 138 N PHE A 30 -0.437 10.743 -7.032 1.00 0.00 N ATOM 139 CA PHE A 30 -1.318 11.751 -7.610 1.00 0.00 C ATOM 140 C PHE A 30 -1.811 12.721 -6.541 1.00 0.00 C ATOM 141 O PHE A 30 -2.724 12.409 -5.779 1.00 0.00 O ATOM 142 CB PHE A 30 -2.511 11.084 -8.299 1.00 0.00 C ATOM 143 CG PHE A 30 -2.122 10.198 -9.446 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.551 10.733 -10.589 1.00 0.00 C ATOM 145 CD2 PHE A 30 -2.326 8.829 -9.383 1.00 0.00 C ATOM 146 CE1 PHE A 30 -1.192 9.921 -11.649 1.00 0.00 C ATOM 147 CE2 PHE A 30 -1.969 8.011 -10.439 1.00 0.00 C ATOM 148 CZ PHE A 30 -1.400 8.557 -11.573 1.00 0.00 C ATOM 0 H PHE A 30 -0.884 9.843 -6.855 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.748 12.313 -8.350 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.061 10.495 -7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.190 11.856 -8.661 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.384 11.798 -10.653 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.769 8.396 -8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.750 10.352 -12.535 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.135 6.946 -10.377 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.118 7.920 -12.398 1.00 0.00 H new ATOM 157 N ALA A 31 -1.198 13.899 -6.490 1.00 0.00 N ATOM 158 CA ALA A 31 -1.574 14.916 -5.515 1.00 0.00 C ATOM 159 C ALA A 31 -1.490 14.370 -4.094 1.00 0.00 C ATOM 160 O ALA A 31 -2.166 14.859 -3.190 1.00 0.00 O ATOM 161 CB ALA A 31 -2.978 15.430 -5.804 1.00 0.00 C ATOM 0 H ALA A 31 -0.438 14.173 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.871 15.745 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.246 16.189 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.007 15.866 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.687 14.604 -5.748 1.00 0.00 H new ATOM 167 N GLY A 32 -0.657 13.352 -3.904 1.00 0.00 N ATOM 168 CA GLY A 32 -0.501 12.757 -2.590 1.00 0.00 C ATOM 169 C GLY A 32 -1.231 11.434 -2.461 1.00 0.00 C ATOM 170 O GLY A 32 -0.930 10.633 -1.576 1.00 0.00 O ATOM 0 H GLY A 32 -0.087 12.929 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.559 12.605 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.874 13.449 -1.835 1.00 0.00 H new ATOM 174 N VAL A 33 -2.196 11.205 -3.346 1.00 0.00 N ATOM 175 CA VAL A 33 -2.971 9.971 -3.329 1.00 0.00 C ATOM 176 C VAL A 33 -2.288 8.879 -4.146 1.00 0.00 C ATOM 177 O VAL A 33 -1.769 9.136 -5.233 1.00 0.00 O ATOM 178 CB VAL A 33 -4.393 10.193 -3.879 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.245 8.951 -3.674 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.035 11.405 -3.220 1.00 0.00 C ATOM 0 H VAL A 33 -2.459 11.858 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.036 9.655 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.324 10.384 -4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.246 9.127 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.792 8.109 -4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.309 8.726 -2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.039 11.547 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.093 11.246 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.434 12.291 -3.424 1.00 0.00 H new ATOM 190 N PHE A 34 -2.291 7.662 -3.615 1.00 0.00 N ATOM 191 CA PHE A 34 -1.670 6.530 -4.294 1.00 0.00 C ATOM 192 C PHE A 34 -2.060 5.214 -3.627 1.00 0.00 C ATOM 193 O PHE A 34 -2.488 5.194 -2.472 1.00 0.00 O ATOM 194 CB PHE A 34 -0.147 6.682 -4.295 1.00 0.00 C ATOM 195 CG PHE A 34 0.459 6.654 -2.922 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.338 7.744 -2.074 1.00 0.00 C ATOM 197 CD2 PHE A 34 1.151 5.539 -2.477 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.895 7.721 -0.810 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.709 5.511 -1.213 1.00 0.00 C ATOM 200 CZ PHE A 34 1.581 6.604 -0.378 1.00 0.00 C ATOM 0 H PHE A 34 -2.716 7.433 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.028 6.515 -5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.290 5.882 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.116 7.622 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.198 8.621 -2.405 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.255 4.682 -3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.794 8.577 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.245 4.635 -0.878 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.017 6.585 0.610 1.00 0.00 H new ATOM 209 N HIS A 35 -1.912 4.118 -4.363 1.00 0.00 N ATOM 210 CA HIS A 35 -2.249 2.796 -3.844 1.00 0.00 C ATOM 211 C HIS A 35 -0.998 2.069 -3.358 1.00 0.00 C ATOM 212 O HIS A 35 0.099 2.284 -3.876 1.00 0.00 O ATOM 213 CB HIS A 35 -2.952 1.968 -4.918 1.00 0.00 C ATOM 214 CG HIS A 35 -2.012 1.345 -5.904 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.752 1.888 -7.145 1.00 0.00 N ATOM 216 CD2 HIS A 35 -1.267 0.217 -5.826 1.00 0.00 C ATOM 217 CE1 HIS A 35 -0.890 1.121 -7.787 1.00 0.00 C ATOM 218 NE2 HIS A 35 -0.578 0.101 -7.008 1.00 0.00 N ATOM 0 H HIS A 35 -1.561 4.118 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.924 2.925 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.534 1.182 -4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.657 2.605 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.223 -0.465 -4.990 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.505 1.298 -8.781 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.069 -0.651 -7.246 1.00 0.00 H new ATOM 225 N VAL A 36 -1.171 1.206 -2.361 1.00 0.00 N ATOM 226 CA VAL A 36 -0.057 0.446 -1.808 1.00 0.00 C ATOM 227 C VAL A 36 -0.123 -1.016 -2.234 1.00 0.00 C ATOM 228 O VAL A 36 -1.099 -1.710 -1.956 1.00 0.00 O ATOM 229 CB VAL A 36 -0.038 0.519 -0.269 1.00 0.00 C ATOM 230 CG1 VAL A 36 1.178 -0.206 0.286 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.062 1.968 0.194 1.00 0.00 C ATOM 0 H VAL A 36 -2.071 1.016 -1.921 1.00 0.00 H new ATOM 0 HA VAL A 36 0.857 0.894 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.931 0.023 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.174 -0.143 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.147 -1.252 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.086 0.257 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.048 2.002 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.812 2.489 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.967 2.452 -0.173 1.00 0.00 H new ATOM 241 N GLU A 37 0.923 -1.477 -2.913 1.00 0.00 N ATOM 242 CA GLU A 37 0.984 -2.858 -3.379 1.00 0.00 C ATOM 243 C GLU A 37 1.973 -3.669 -2.548 1.00 0.00 C ATOM 244 O GLU A 37 2.878 -3.115 -1.923 1.00 0.00 O ATOM 245 CB GLU A 37 1.382 -2.904 -4.856 1.00 0.00 C ATOM 246 CG GLU A 37 0.809 -4.096 -5.603 1.00 0.00 C ATOM 247 CD GLU A 37 0.916 -3.947 -7.107 1.00 0.00 C ATOM 248 OE1 GLU A 37 1.128 -2.811 -7.578 1.00 0.00 O ATOM 249 OE2 GLU A 37 0.789 -4.969 -7.815 1.00 0.00 O ATOM 0 H GLU A 37 1.740 -0.915 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.007 -3.298 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.049 -1.987 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.469 -2.928 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.333 -5.000 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.238 -4.224 -5.328 1.00 0.00 H new ATOM 254 N LYS A 38 1.794 -4.986 -2.546 1.00 0.00 N ATOM 255 CA LYS A 38 2.670 -5.876 -1.792 1.00 0.00 C ATOM 256 C LYS A 38 3.198 -6.999 -2.681 1.00 0.00 C ATOM 257 O LYS A 38 2.887 -7.060 -3.869 1.00 0.00 O ATOM 258 CB LYS A 38 1.923 -6.467 -0.594 1.00 0.00 C ATOM 259 CG LYS A 38 2.770 -6.560 0.663 1.00 0.00 C ATOM 260 CD LYS A 38 2.393 -7.771 1.500 1.00 0.00 C ATOM 261 CE LYS A 38 0.979 -7.653 2.046 1.00 0.00 C ATOM 262 NZ LYS A 38 0.880 -6.614 3.107 1.00 0.00 N ATOM 0 H LYS A 38 1.050 -5.461 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 38 3.517 -5.292 -1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.045 -5.856 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.564 -7.463 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.824 -6.619 0.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.645 -5.654 1.255 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.476 -8.673 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.096 -7.876 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.295 -7.409 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.664 -8.615 2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.055 -6.667 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.619 -6.775 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.007 -5.672 2.684 1.00 0.00 H new ATOM 272 N ASN A 39 3.995 -7.886 -2.094 1.00 0.00 N ATOM 273 CA ASN A 39 4.564 -9.007 -2.833 1.00 0.00 C ATOM 274 C ASN A 39 3.540 -9.601 -3.795 1.00 0.00 C ATOM 275 O ASN A 39 3.614 -9.391 -5.005 1.00 0.00 O ATOM 276 CB ASN A 39 5.056 -10.086 -1.865 1.00 0.00 C ATOM 277 CG ASN A 39 6.527 -9.934 -1.530 1.00 0.00 C ATOM 278 OD1 ASN A 39 6.916 -9.959 -0.362 1.00 0.00 O ATOM 279 ND2 ASN A 39 7.354 -9.776 -2.557 1.00 0.00 N ATOM 0 H ASN A 39 4.261 -7.850 -1.110 1.00 0.00 H new ATOM 0 HA ASN A 39 5.409 -8.635 -3.413 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.470 -10.041 -0.947 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.886 -11.069 -2.304 1.00 0.00 H new ATOM 0 HD21 ASN A 39 8.355 -9.669 -2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.988 -9.761 -3.509 1.00 0.00 H new ATOM 285 N GLY A 40 2.582 -10.344 -3.248 1.00 0.00 N ATOM 286 CA GLY A 40 1.556 -10.956 -4.070 1.00 0.00 C ATOM 287 C GLY A 40 0.477 -9.972 -4.480 1.00 0.00 C ATOM 288 O GLY A 40 0.690 -8.760 -4.447 1.00 0.00 O ATOM 0 H GLY A 40 2.499 -10.533 -2.249 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.015 -11.380 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.101 -11.782 -3.523 1.00 0.00 H new ATOM 292 N ARG A 41 -0.681 -10.495 -4.868 1.00 0.00 N ATOM 293 CA ARG A 41 -1.795 -9.654 -5.289 1.00 0.00 C ATOM 294 C ARG A 41 -2.318 -8.819 -4.122 1.00 0.00 C ATOM 295 O ARG A 41 -1.783 -8.878 -3.017 1.00 0.00 O ATOM 296 CB ARG A 41 -2.924 -10.514 -5.859 1.00 0.00 C ATOM 297 CG ARG A 41 -2.536 -11.273 -7.119 1.00 0.00 C ATOM 298 CD ARG A 41 -3.603 -12.279 -7.515 1.00 0.00 C ATOM 299 NE ARG A 41 -3.772 -13.323 -6.508 1.00 0.00 N ATOM 300 CZ ARG A 41 -2.978 -14.384 -6.408 1.00 0.00 C ATOM 301 NH1 ARG A 41 -1.966 -14.538 -7.250 1.00 0.00 N ATOM 302 NH2 ARG A 41 -3.196 -15.292 -5.466 1.00 0.00 N ATOM 0 H ARG A 41 -0.872 -11.496 -4.900 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.434 -8.978 -6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.245 -11.227 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.780 -9.876 -6.079 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.378 -10.568 -7.935 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.590 -11.790 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.551 -11.762 -7.664 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.335 -12.735 -8.468 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.542 -13.233 -5.845 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.796 -13.842 -7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.357 -15.353 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.974 -15.177 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.585 -16.106 -5.391 1.00 0.00 H new ATOM 313 N TYR A 42 -3.363 -8.042 -4.380 1.00 0.00 N ATOM 314 CA TYR A 42 -3.956 -7.193 -3.354 1.00 0.00 C ATOM 315 C TYR A 42 -4.350 -8.014 -2.128 1.00 0.00 C ATOM 316 O TYR A 42 -5.228 -8.872 -2.198 1.00 0.00 O ATOM 317 CB TYR A 42 -5.182 -6.466 -3.908 1.00 0.00 C ATOM 318 CG TYR A 42 -4.930 -5.781 -5.232 1.00 0.00 C ATOM 319 CD1 TYR A 42 -3.751 -5.086 -5.466 1.00 0.00 C ATOM 320 CD2 TYR A 42 -5.875 -5.826 -6.250 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.516 -4.459 -6.673 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.649 -5.202 -7.462 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.468 -4.519 -7.669 1.00 0.00 C ATOM 324 OH TYR A 42 -4.240 -3.896 -8.873 1.00 0.00 O ATOM 0 H TYR A 42 -3.817 -7.982 -5.291 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.210 -6.457 -3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.996 -7.181 -4.027 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.514 -5.724 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.003 -5.035 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.802 -6.358 -6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.592 -3.924 -6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.393 -5.249 -8.243 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.704 -4.383 -9.586 1.00 0.00 H new ATOM 333 N SER A 43 -3.692 -7.741 -1.007 1.00 0.00 N ATOM 334 CA SER A 43 -3.969 -8.455 0.235 1.00 0.00 C ATOM 335 C SER A 43 -4.041 -7.488 1.413 1.00 0.00 C ATOM 336 O SER A 43 -3.320 -7.640 2.399 1.00 0.00 O ATOM 337 CB SER A 43 -2.893 -9.511 0.492 1.00 0.00 C ATOM 338 OG SER A 43 -3.387 -10.554 1.313 1.00 0.00 O ATOM 0 H SER A 43 -2.963 -7.031 -0.932 1.00 0.00 H new ATOM 0 HA SER A 43 -4.935 -8.949 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.549 -9.923 -0.457 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.030 -9.046 0.969 1.00 0.00 H new ATOM 0 HG SER A 43 -2.680 -11.217 1.461 1.00 0.00 H new ATOM 343 N ILE A 44 -4.917 -6.495 1.302 1.00 0.00 N ATOM 344 CA ILE A 44 -5.085 -5.504 2.358 1.00 0.00 C ATOM 345 C ILE A 44 -6.549 -5.373 2.761 1.00 0.00 C ATOM 346 O ILE A 44 -7.447 -5.496 1.928 1.00 0.00 O ATOM 347 CB ILE A 44 -4.559 -4.124 1.923 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.123 -4.240 1.406 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.632 -3.140 3.081 1.00 0.00 C ATOM 350 CD1 ILE A 44 -3.035 -4.498 -0.082 1.00 0.00 C ATOM 0 H ILE A 44 -5.521 -6.355 0.492 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.505 -5.852 3.213 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.187 -3.751 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.586 -3.321 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.618 -5.047 1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.257 -2.169 2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.667 -3.039 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.025 -3.506 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.988 -4.569 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.543 -5.433 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.510 -3.679 -0.622 1.00 0.00 H new ATOM 361 N SER A 45 -6.784 -5.120 4.045 1.00 0.00 N ATOM 362 CA SER A 45 -8.140 -4.976 4.560 1.00 0.00 C ATOM 363 C SER A 45 -8.429 -3.523 4.926 1.00 0.00 C ATOM 364 O SER A 45 -7.513 -2.708 5.052 1.00 0.00 O ATOM 365 CB SER A 45 -8.343 -5.872 5.784 1.00 0.00 C ATOM 366 OG SER A 45 -7.707 -7.127 5.606 1.00 0.00 O ATOM 0 H SER A 45 -6.052 -5.011 4.747 1.00 0.00 H new ATOM 0 HA SER A 45 -8.834 -5.282 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.942 -5.380 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.409 -6.022 5.957 1.00 0.00 H new ATOM 0 HG SER A 45 -6.942 -7.195 6.215 1.00 0.00 H new ATOM 371 N ARG A 46 -9.708 -3.206 5.097 1.00 0.00 N ATOM 372 CA ARG A 46 -10.119 -1.851 5.448 1.00 0.00 C ATOM 373 C ARG A 46 -9.563 -1.450 6.812 1.00 0.00 C ATOM 374 O ARG A 46 -9.151 -0.309 7.017 1.00 0.00 O ATOM 375 CB ARG A 46 -11.644 -1.743 5.454 1.00 0.00 C ATOM 376 CG ARG A 46 -12.326 -2.788 6.324 1.00 0.00 C ATOM 377 CD ARG A 46 -13.835 -2.609 6.331 1.00 0.00 C ATOM 378 NE ARG A 46 -14.232 -1.337 6.930 1.00 0.00 N ATOM 379 CZ ARG A 46 -15.475 -0.868 6.901 1.00 0.00 C ATOM 380 NH1 ARG A 46 -16.436 -1.562 6.306 1.00 0.00 N ATOM 381 NH2 ARG A 46 -15.759 0.298 7.468 1.00 0.00 N ATOM 0 H ARG A 46 -10.478 -3.868 4.998 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.717 -1.170 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.928 -0.750 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.010 -1.838 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.079 -3.785 5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.946 -2.719 7.343 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.211 -2.662 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.295 -3.429 6.883 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.516 -0.779 7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.222 -2.458 5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.389 -1.199 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.023 0.835 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.713 0.657 7.445 1.00 0.00 H new ATOM 392 N THR A 47 -9.558 -2.400 7.745 1.00 0.00 N ATOM 393 CA THR A 47 -9.055 -2.147 9.089 1.00 0.00 C ATOM 394 C THR A 47 -7.538 -2.005 9.092 1.00 0.00 C ATOM 395 O THR A 47 -6.968 -1.354 9.966 1.00 0.00 O ATOM 396 CB THR A 47 -9.457 -3.273 10.059 1.00 0.00 C ATOM 397 OG1 THR A 47 -9.233 -4.549 9.449 1.00 0.00 O ATOM 398 CG2 THR A 47 -10.920 -3.146 10.459 1.00 0.00 C ATOM 0 H THR A 47 -9.897 -3.350 7.593 1.00 0.00 H new ATOM 0 HA THR A 47 -9.504 -1.212 9.424 1.00 0.00 H new ATOM 0 HB THR A 47 -8.843 -3.187 10.955 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.490 -5.260 10.073 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.181 -3.952 11.144 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.081 -2.186 10.950 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.547 -3.209 9.570 1.00 0.00 H new ATOM 406 N GLU A 48 -6.889 -2.620 8.108 1.00 0.00 N ATOM 407 CA GLU A 48 -5.436 -2.561 7.998 1.00 0.00 C ATOM 408 C GLU A 48 -5.000 -1.355 7.173 1.00 0.00 C ATOM 409 O GLU A 48 -3.877 -0.870 7.307 1.00 0.00 O ATOM 410 CB GLU A 48 -4.899 -3.848 7.365 1.00 0.00 C ATOM 411 CG GLU A 48 -5.068 -5.075 8.244 1.00 0.00 C ATOM 412 CD GLU A 48 -4.413 -6.309 7.654 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.249 -6.208 7.213 1.00 0.00 O ATOM 414 OE2 GLU A 48 -5.064 -7.374 7.633 1.00 0.00 O ATOM 0 H GLU A 48 -7.346 -3.164 7.376 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.025 -2.458 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.410 -4.017 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.841 -3.717 7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.640 -4.875 9.226 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.131 -5.268 8.392 1.00 0.00 H new ATOM 419 N ALA A 49 -5.897 -0.874 6.318 1.00 0.00 N ATOM 420 CA ALA A 49 -5.608 0.277 5.471 1.00 0.00 C ATOM 421 C ALA A 49 -5.081 1.446 6.298 1.00 0.00 C ATOM 422 O ALA A 49 -4.078 2.066 5.944 1.00 0.00 O ATOM 423 CB ALA A 49 -6.850 0.691 4.701 1.00 0.00 C ATOM 0 H ALA A 49 -6.831 -1.264 6.194 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.834 -0.011 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.619 1.551 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.182 -0.137 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.641 0.956 5.402 1.00 0.00 H new ATOM 429 N ALA A 50 -5.764 1.743 7.398 1.00 0.00 N ATOM 430 CA ALA A 50 -5.364 2.837 8.275 1.00 0.00 C ATOM 431 C ALA A 50 -3.926 2.661 8.750 1.00 0.00 C ATOM 432 O ALA A 50 -3.045 3.445 8.398 1.00 0.00 O ATOM 433 CB ALA A 50 -6.308 2.933 9.463 1.00 0.00 C ATOM 0 H ALA A 50 -6.598 1.241 7.704 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.419 3.765 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.997 3.754 10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.322 3.115 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.282 1.999 10.025 1.00 0.00 H new ATOM 439 N ASP A 51 -3.696 1.628 9.553 1.00 0.00 N ATOM 440 CA ASP A 51 -2.364 1.349 10.078 1.00 0.00 C ATOM 441 C ASP A 51 -1.336 1.301 8.953 1.00 0.00 C ATOM 442 O ASP A 51 -0.173 1.660 9.142 1.00 0.00 O ATOM 443 CB ASP A 51 -2.362 0.025 10.844 1.00 0.00 C ATOM 444 CG ASP A 51 -1.005 -0.296 11.440 1.00 0.00 C ATOM 445 OD1 ASP A 51 -0.533 0.483 12.295 1.00 0.00 O ATOM 446 OD2 ASP A 51 -0.414 -1.325 11.051 1.00 0.00 O ATOM 0 H ASP A 51 -4.415 0.970 9.855 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.093 2.155 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.105 0.068 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.661 -0.780 10.173 1.00 0.00 H new ATOM 450 N LEU A 52 -1.771 0.853 7.780 1.00 0.00 N ATOM 451 CA LEU A 52 -0.887 0.756 6.622 1.00 0.00 C ATOM 452 C LEU A 52 -0.393 2.135 6.198 1.00 0.00 C ATOM 453 O LEU A 52 0.811 2.372 6.098 1.00 0.00 O ATOM 454 CB LEU A 52 -1.613 0.081 5.456 1.00 0.00 C ATOM 455 CG LEU A 52 -0.747 -0.298 4.256 1.00 0.00 C ATOM 456 CD1 LEU A 52 -1.261 -1.575 3.609 1.00 0.00 C ATOM 457 CD2 LEU A 52 -0.710 0.838 3.244 1.00 0.00 C ATOM 0 H LEU A 52 -2.730 0.551 7.605 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.025 0.152 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.097 -0.822 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.404 0.747 5.112 1.00 0.00 H new ATOM 0 HG LEU A 52 0.269 -0.477 4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.632 -1.829 2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.234 -2.387 4.335 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.286 -1.425 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.088 0.550 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.721 1.049 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.293 1.730 3.713 1.00 0.00 H new ATOM 468 N CYS A 53 -1.331 3.044 5.949 1.00 0.00 N ATOM 469 CA CYS A 53 -0.993 4.401 5.538 1.00 0.00 C ATOM 470 C CYS A 53 -0.131 5.091 6.592 1.00 0.00 C ATOM 471 O CYS A 53 0.859 5.747 6.269 1.00 0.00 O ATOM 472 CB CYS A 53 -2.264 5.214 5.291 1.00 0.00 C ATOM 473 SG CYS A 53 -3.316 4.562 3.954 1.00 0.00 S ATOM 0 H CYS A 53 -2.332 2.864 6.025 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.423 4.341 4.611 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.845 5.248 6.212 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.985 6.240 5.052 1.00 0.00 H new ATOM 477 N LYS A 54 -0.515 4.936 7.854 1.00 0.00 N ATOM 478 CA LYS A 54 0.222 5.542 8.958 1.00 0.00 C ATOM 479 C LYS A 54 1.657 5.028 9.000 1.00 0.00 C ATOM 480 O LYS A 54 2.594 5.796 9.218 1.00 0.00 O ATOM 481 CB LYS A 54 -0.476 5.244 10.286 1.00 0.00 C ATOM 482 CG LYS A 54 0.197 5.893 11.486 1.00 0.00 C ATOM 483 CD LYS A 54 1.257 4.987 12.087 1.00 0.00 C ATOM 484 CE LYS A 54 1.572 5.377 13.524 1.00 0.00 C ATOM 485 NZ LYS A 54 2.663 4.543 14.097 1.00 0.00 N ATOM 0 H LYS A 54 -1.332 4.396 8.139 1.00 0.00 H new ATOM 0 HA LYS A 54 0.245 6.620 8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.509 5.588 10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.507 4.165 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.652 6.836 11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.553 6.129 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.914 3.953 12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.165 5.039 11.487 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.860 6.428 13.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.675 5.271 14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.848 4.839 15.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.378 3.543 14.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.526 4.663 13.530 1.00 0.00 H new ATOM 495 N ALA A 55 1.823 3.727 8.790 1.00 0.00 N ATOM 496 CA ALA A 55 3.145 3.113 8.800 1.00 0.00 C ATOM 497 C ALA A 55 3.956 3.536 7.580 1.00 0.00 C ATOM 498 O ALA A 55 5.157 3.279 7.501 1.00 0.00 O ATOM 499 CB ALA A 55 3.022 1.597 8.855 1.00 0.00 C ATOM 0 H ALA A 55 1.058 3.077 8.611 1.00 0.00 H new ATOM 0 HA ALA A 55 3.672 3.457 9.690 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.017 1.151 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.488 1.308 9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.473 1.245 7.982 1.00 0.00 H new ATOM 505 N PHE A 56 3.292 4.186 6.629 1.00 0.00 N ATOM 506 CA PHE A 56 3.951 4.642 5.412 1.00 0.00 C ATOM 507 C PHE A 56 4.092 6.161 5.406 1.00 0.00 C ATOM 508 O PHE A 56 4.253 6.777 4.353 1.00 0.00 O ATOM 509 CB PHE A 56 3.167 4.186 4.179 1.00 0.00 C ATOM 510 CG PHE A 56 3.736 2.958 3.527 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.048 2.938 3.085 1.00 0.00 C ATOM 512 CD2 PHE A 56 2.957 1.825 3.356 1.00 0.00 C ATOM 513 CE1 PHE A 56 5.575 1.810 2.484 1.00 0.00 C ATOM 514 CE2 PHE A 56 3.478 0.695 2.756 1.00 0.00 C ATOM 515 CZ PHE A 56 4.789 0.687 2.319 1.00 0.00 C ATOM 0 H PHE A 56 2.298 4.408 6.679 1.00 0.00 H new ATOM 0 HA PHE A 56 4.948 4.202 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.134 3.989 4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.146 4.997 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.667 3.814 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.932 1.825 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.600 1.807 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.861 -0.182 2.628 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.198 -0.196 1.850 1.00 0.00 H new ATOM 524 N ASN A 57 4.026 6.760 6.591 1.00 0.00 N ATOM 525 CA ASN A 57 4.145 8.207 6.724 1.00 0.00 C ATOM 526 C ASN A 57 3.029 8.917 5.962 1.00 0.00 C ATOM 527 O ASN A 57 3.258 9.935 5.309 1.00 0.00 O ATOM 528 CB ASN A 57 5.507 8.678 6.209 1.00 0.00 C ATOM 529 CG ASN A 57 5.766 10.140 6.517 1.00 0.00 C ATOM 530 OD1 ASN A 57 4.970 10.797 7.188 1.00 0.00 O ATOM 531 ND2 ASN A 57 6.887 10.658 6.027 1.00 0.00 N ATOM 0 H ASN A 57 3.891 6.265 7.473 1.00 0.00 H new ATOM 0 HA ASN A 57 4.057 8.457 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.292 8.070 6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.559 8.521 5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.116 11.636 6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.519 10.077 5.476 1.00 0.00 H new ATOM 537 N SER A 58 1.820 8.371 6.051 1.00 0.00 N ATOM 538 CA SER A 58 0.668 8.949 5.369 1.00 0.00 C ATOM 539 C SER A 58 -0.630 8.562 6.070 1.00 0.00 C ATOM 540 O SER A 58 -0.624 7.802 7.038 1.00 0.00 O ATOM 541 CB SER A 58 0.630 8.489 3.910 1.00 0.00 C ATOM 542 OG SER A 58 1.765 8.951 3.199 1.00 0.00 O ATOM 0 H SER A 58 1.613 7.529 6.589 1.00 0.00 H new ATOM 0 HA SER A 58 0.766 10.034 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.590 7.400 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.277 8.859 3.432 1.00 0.00 H new ATOM 0 HG SER A 58 1.988 8.314 2.488 1.00 0.00 H new ATOM 547 N THR A 59 -1.744 9.091 5.573 1.00 0.00 N ATOM 548 CA THR A 59 -3.051 8.804 6.151 1.00 0.00 C ATOM 549 C THR A 59 -4.055 8.412 5.073 1.00 0.00 C ATOM 550 O THR A 59 -3.928 8.817 3.917 1.00 0.00 O ATOM 551 CB THR A 59 -3.598 10.013 6.933 1.00 0.00 C ATOM 552 OG1 THR A 59 -3.246 11.229 6.262 1.00 0.00 O ATOM 553 CG2 THR A 59 -3.050 10.033 8.352 1.00 0.00 C ATOM 0 H THR A 59 -1.767 9.721 4.771 1.00 0.00 H new ATOM 0 HA THR A 59 -2.916 7.969 6.838 1.00 0.00 H new ATOM 0 HB THR A 59 -4.683 9.926 6.982 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.598 11.993 6.764 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.450 10.896 8.885 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.344 9.119 8.868 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.962 10.098 8.321 1.00 0.00 H new ATOM 561 N LEU A 60 -5.055 7.627 5.459 1.00 0.00 N ATOM 562 CA LEU A 60 -6.082 7.183 4.524 1.00 0.00 C ATOM 563 C LEU A 60 -6.661 8.362 3.749 1.00 0.00 C ATOM 564 O LEU A 60 -6.746 9.484 4.250 1.00 0.00 O ATOM 565 CB LEU A 60 -7.199 6.453 5.272 1.00 0.00 C ATOM 566 CG LEU A 60 -6.844 5.073 5.827 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.775 4.703 6.973 1.00 0.00 C ATOM 568 CD2 LEU A 60 -6.906 4.024 4.727 1.00 0.00 C ATOM 0 H LEU A 60 -5.176 7.285 6.412 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.619 6.498 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.526 7.082 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.049 6.344 4.599 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.824 5.108 6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.508 3.718 7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.681 5.440 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.804 4.686 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.650 3.048 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.914 3.990 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.198 4.281 3.939 1.00 0.00 H new ATOM 579 N PRO A 61 -7.071 8.106 2.498 1.00 0.00 N ATOM 580 CA PRO A 61 -7.652 9.132 1.628 1.00 0.00 C ATOM 581 C PRO A 61 -9.035 9.575 2.096 1.00 0.00 C ATOM 582 O PRO A 61 -9.618 8.973 2.998 1.00 0.00 O ATOM 583 CB PRO A 61 -7.744 8.436 0.269 1.00 0.00 C ATOM 584 CG PRO A 61 -7.823 6.983 0.591 1.00 0.00 C ATOM 585 CD PRO A 61 -7.001 6.791 1.836 1.00 0.00 C ATOM 0 HA PRO A 61 -7.052 10.042 1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.622 8.767 -0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.874 8.658 -0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.856 6.675 0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.435 6.379 -0.230 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.407 6.001 2.468 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.973 6.514 1.600 1.00 0.00 H new ATOM 590 N THR A 62 -9.556 10.629 1.477 1.00 0.00 N ATOM 591 CA THR A 62 -10.870 11.151 1.829 1.00 0.00 C ATOM 592 C THR A 62 -11.894 10.840 0.745 1.00 0.00 C ATOM 593 O THR A 62 -11.561 10.264 -0.292 1.00 0.00 O ATOM 594 CB THR A 62 -10.826 12.673 2.057 1.00 0.00 C ATOM 595 OG1 THR A 62 -9.705 13.240 1.370 1.00 0.00 O ATOM 596 CG2 THR A 62 -10.733 12.996 3.541 1.00 0.00 C ATOM 0 H THR A 62 -9.087 11.139 0.728 1.00 0.00 H new ATOM 0 HA THR A 62 -11.167 10.660 2.756 1.00 0.00 H new ATOM 0 HB THR A 62 -11.748 13.103 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.686 14.208 1.519 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.703 14.077 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.603 12.589 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.826 12.553 3.954 1.00 0.00 H new ATOM 604 N MET A 63 -13.142 11.225 0.989 1.00 0.00 N ATOM 605 CA MET A 63 -14.216 10.989 0.030 1.00 0.00 C ATOM 606 C MET A 63 -14.109 11.945 -1.154 1.00 0.00 C ATOM 607 O MET A 63 -14.570 11.642 -2.252 1.00 0.00 O ATOM 608 CB MET A 63 -15.578 11.148 0.707 1.00 0.00 C ATOM 609 CG MET A 63 -16.753 10.987 -0.244 1.00 0.00 C ATOM 610 SD MET A 63 -18.344 11.215 0.573 1.00 0.00 S ATOM 611 CE MET A 63 -19.006 9.552 0.495 1.00 0.00 C ATOM 0 H MET A 63 -13.435 11.702 1.842 1.00 0.00 H new ATOM 0 HA MET A 63 -14.119 9.968 -0.340 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.665 10.412 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.630 12.132 1.172 1.00 0.00 H new ATOM 0 HG2 MET A 63 -16.659 11.708 -1.056 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.719 9.994 -0.693 1.00 0.00 H new ATOM 0 HE1 MET A 63 -20.031 9.551 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.992 9.203 -0.537 1.00 0.00 H new ATOM 0 HE3 MET A 63 -18.398 8.889 1.111 1.00 0.00 H new ATOM 619 N ALA A 64 -13.498 13.103 -0.919 1.00 0.00 N ATOM 620 CA ALA A 64 -13.330 14.103 -1.966 1.00 0.00 C ATOM 621 C ALA A 64 -12.008 13.911 -2.701 1.00 0.00 C ATOM 622 O ALA A 64 -11.932 14.084 -3.916 1.00 0.00 O ATOM 623 CB ALA A 64 -13.410 15.502 -1.376 1.00 0.00 C ATOM 0 H ALA A 64 -13.112 13.371 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.138 13.978 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.283 16.239 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.382 15.642 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.623 15.629 -0.633 1.00 0.00 H new ATOM 629 N GLN A 65 -10.967 13.554 -1.954 1.00 0.00 N ATOM 630 CA GLN A 65 -9.648 13.341 -2.535 1.00 0.00 C ATOM 631 C GLN A 65 -9.708 12.311 -3.658 1.00 0.00 C ATOM 632 O GLN A 65 -9.120 12.502 -4.723 1.00 0.00 O ATOM 633 CB GLN A 65 -8.661 12.884 -1.460 1.00 0.00 C ATOM 634 CG GLN A 65 -7.915 14.028 -0.792 1.00 0.00 C ATOM 635 CD GLN A 65 -7.007 14.772 -1.752 1.00 0.00 C ATOM 636 OE1 GLN A 65 -7.464 15.603 -2.538 1.00 0.00 O ATOM 637 NE2 GLN A 65 -5.714 14.476 -1.694 1.00 0.00 N ATOM 0 H GLN A 65 -11.013 13.407 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.306 14.288 -2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.201 12.320 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.938 12.203 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.635 14.726 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.321 13.636 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.379 13.781 -1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.055 14.944 -2.316 1.00 0.00 H new ATOM 644 N MET A 66 -10.421 11.217 -3.413 1.00 0.00 N ATOM 645 CA MET A 66 -10.558 10.155 -4.405 1.00 0.00 C ATOM 646 C MET A 66 -11.099 10.708 -5.720 1.00 0.00 C ATOM 647 O MET A 66 -10.462 10.583 -6.764 1.00 0.00 O ATOM 648 CB MET A 66 -11.483 9.055 -3.882 1.00 0.00 C ATOM 649 CG MET A 66 -10.897 8.270 -2.719 1.00 0.00 C ATOM 650 SD MET A 66 -9.439 7.319 -3.188 1.00 0.00 S ATOM 651 CE MET A 66 -10.164 6.110 -4.292 1.00 0.00 C ATOM 0 H MET A 66 -10.913 11.042 -2.537 1.00 0.00 H new ATOM 0 HA MET A 66 -9.570 9.732 -4.587 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.426 9.503 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.712 8.367 -4.696 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.634 8.959 -1.916 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.655 7.594 -2.323 1.00 0.00 H new ATOM 0 HE1 MET A 66 -9.397 5.726 -4.965 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.580 5.288 -3.709 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.957 6.579 -4.875 1.00 0.00 H new ATOM 659 N GLU A 67 -12.279 11.317 -5.660 1.00 0.00 N ATOM 660 CA GLU A 67 -12.906 11.887 -6.847 1.00 0.00 C ATOM 661 C GLU A 67 -12.060 13.021 -7.418 1.00 0.00 C ATOM 662 O GLU A 67 -12.146 13.340 -8.604 1.00 0.00 O ATOM 663 CB GLU A 67 -14.309 12.401 -6.514 1.00 0.00 C ATOM 664 CG GLU A 67 -15.128 11.434 -5.677 1.00 0.00 C ATOM 665 CD GLU A 67 -16.599 11.447 -6.042 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.081 12.491 -6.528 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.269 10.413 -5.840 1.00 0.00 O ATOM 0 H GLU A 67 -12.820 11.428 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.984 11.101 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.223 13.348 -5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.842 12.606 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.735 10.426 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.017 11.688 -4.623 1.00 0.00 H new ATOM 672 N LYS A 68 -11.241 13.627 -6.564 1.00 0.00 N ATOM 673 CA LYS A 68 -10.376 14.726 -6.982 1.00 0.00 C ATOM 674 C LYS A 68 -9.234 14.218 -7.855 1.00 0.00 C ATOM 675 O LYS A 68 -8.842 14.871 -8.822 1.00 0.00 O ATOM 676 CB LYS A 68 -9.814 15.453 -5.757 1.00 0.00 C ATOM 677 CG LYS A 68 -9.207 16.807 -6.081 1.00 0.00 C ATOM 678 CD LYS A 68 -8.940 17.612 -4.820 1.00 0.00 C ATOM 679 CE LYS A 68 -8.789 19.094 -5.128 1.00 0.00 C ATOM 680 NZ LYS A 68 -8.224 19.846 -3.973 1.00 0.00 N ATOM 0 H LYS A 68 -11.158 13.376 -5.579 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.974 15.424 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.612 15.587 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.055 14.826 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.275 16.668 -6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.881 17.363 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.758 17.467 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.034 17.245 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.141 19.220 -5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.761 19.511 -5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.137 20.852 -4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.855 19.747 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.285 19.465 -3.737 1.00 0.00 H new ATOM 690 N ALA A 69 -8.705 13.049 -7.508 1.00 0.00 N ATOM 691 CA ALA A 69 -7.609 12.453 -8.262 1.00 0.00 C ATOM 692 C ALA A 69 -8.118 11.794 -9.539 1.00 0.00 C ATOM 693 O ALA A 69 -7.333 11.427 -10.415 1.00 0.00 O ATOM 694 CB ALA A 69 -6.867 11.441 -7.403 1.00 0.00 C ATOM 0 H ALA A 69 -9.018 12.496 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.919 13.248 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.051 11.004 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.463 11.939 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.554 10.654 -7.092 1.00 0.00 H new ATOM 700 N LEU A 70 -9.433 11.645 -9.640 1.00 0.00 N ATOM 701 CA LEU A 70 -10.046 11.029 -10.811 1.00 0.00 C ATOM 702 C LEU A 70 -9.616 11.742 -12.089 1.00 0.00 C ATOM 703 O LEU A 70 -9.408 11.110 -13.125 1.00 0.00 O ATOM 704 CB LEU A 70 -11.571 11.057 -10.688 1.00 0.00 C ATOM 705 CG LEU A 70 -12.353 10.558 -11.902 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.499 9.045 -11.857 1.00 0.00 C ATOM 707 CD2 LEU A 70 -13.718 11.226 -11.970 1.00 0.00 C ATOM 0 H LEU A 70 -10.096 11.943 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.710 9.993 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.857 10.455 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.879 12.081 -10.479 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.797 10.823 -12.802 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.059 8.707 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.511 8.584 -11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.032 8.758 -10.951 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.260 10.858 -12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.282 10.994 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.591 12.306 -12.051 1.00 0.00 H new ATOM 718 N SER A 71 -9.485 13.063 -12.009 1.00 0.00 N ATOM 719 CA SER A 71 -9.080 13.862 -13.160 1.00 0.00 C ATOM 720 C SER A 71 -7.563 14.017 -13.208 1.00 0.00 C ATOM 721 O SER A 71 -7.011 14.526 -14.184 1.00 0.00 O ATOM 722 CB SER A 71 -9.745 15.239 -13.110 1.00 0.00 C ATOM 723 OG SER A 71 -9.940 15.758 -14.414 1.00 0.00 O ATOM 0 H SER A 71 -9.653 13.602 -11.160 1.00 0.00 H new ATOM 0 HA SER A 71 -9.402 13.344 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.704 15.165 -12.597 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.126 15.925 -12.531 1.00 0.00 H new ATOM 0 HG SER A 71 -10.368 16.638 -14.355 1.00 0.00 H new ATOM 728 N ILE A 72 -6.896 13.576 -12.147 1.00 0.00 N ATOM 729 CA ILE A 72 -5.443 13.664 -12.067 1.00 0.00 C ATOM 730 C ILE A 72 -4.781 12.474 -12.753 1.00 0.00 C ATOM 731 O ILE A 72 -3.636 12.558 -13.196 1.00 0.00 O ATOM 732 CB ILE A 72 -4.962 13.732 -10.605 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.551 14.962 -9.910 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.444 13.761 -10.548 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.114 15.106 -8.468 1.00 0.00 C ATOM 0 H ILE A 72 -7.339 13.154 -11.331 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.155 14.582 -12.579 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.308 12.841 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.259 15.856 -10.461 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.639 14.905 -9.948 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.120 13.809 -9.508 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.045 12.858 -11.011 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.076 14.636 -11.084 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.569 15.998 -8.037 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.430 14.229 -7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.028 15.195 -8.424 1.00 0.00 H new ATOM 746 N GLY A 73 -5.511 11.366 -12.838 1.00 0.00 N ATOM 747 CA GLY A 73 -4.979 10.174 -13.473 1.00 0.00 C ATOM 748 C GLY A 73 -5.114 8.943 -12.600 1.00 0.00 C ATOM 749 O GLY A 73 -4.242 8.073 -12.603 1.00 0.00 O ATOM 0 H GLY A 73 -6.461 11.272 -12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.499 10.006 -14.416 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.927 10.332 -13.713 1.00 0.00 H new ATOM 753 N PHE A 74 -6.207 8.869 -11.849 1.00 0.00 N ATOM 754 CA PHE A 74 -6.452 7.735 -10.965 1.00 0.00 C ATOM 755 C PHE A 74 -7.365 6.711 -11.634 1.00 0.00 C ATOM 756 O PHE A 74 -8.580 6.728 -11.440 1.00 0.00 O ATOM 757 CB PHE A 74 -7.077 8.212 -9.652 1.00 0.00 C ATOM 758 CG PHE A 74 -6.720 7.353 -8.472 1.00 0.00 C ATOM 759 CD1 PHE A 74 -7.381 6.158 -8.242 1.00 0.00 C ATOM 760 CD2 PHE A 74 -5.722 7.741 -7.593 1.00 0.00 C ATOM 761 CE1 PHE A 74 -7.055 5.366 -7.157 1.00 0.00 C ATOM 762 CE2 PHE A 74 -5.390 6.954 -6.506 1.00 0.00 C ATOM 763 CZ PHE A 74 -6.059 5.765 -6.288 1.00 0.00 C ATOM 0 H PHE A 74 -6.938 9.581 -11.834 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.495 7.258 -10.752 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.756 9.235 -9.457 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.161 8.233 -9.761 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.161 5.841 -8.919 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.197 8.670 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.579 4.436 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.609 7.268 -5.829 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.803 5.148 -5.439 1.00 0.00 H new ATOM 772 N GLU A 75 -6.768 5.820 -12.420 1.00 0.00 N ATOM 773 CA GLU A 75 -7.527 4.789 -13.118 1.00 0.00 C ATOM 774 C GLU A 75 -7.332 3.428 -12.456 1.00 0.00 C ATOM 775 O GLU A 75 -6.310 2.771 -12.649 1.00 0.00 O ATOM 776 CB GLU A 75 -7.104 4.719 -14.586 1.00 0.00 C ATOM 777 CG GLU A 75 -5.598 4.697 -14.785 1.00 0.00 C ATOM 778 CD GLU A 75 -5.176 3.834 -15.960 1.00 0.00 C ATOM 779 OE1 GLU A 75 -5.811 3.938 -17.029 1.00 0.00 O ATOM 780 OE2 GLU A 75 -4.212 3.055 -15.808 1.00 0.00 O ATOM 0 H GLU A 75 -5.763 5.792 -12.589 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.583 5.052 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.535 3.825 -15.037 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.520 5.576 -15.116 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.241 5.715 -14.940 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.121 4.327 -13.878 1.00 0.00 H new ATOM 785 N THR A 76 -8.323 3.010 -11.673 1.00 0.00 N ATOM 786 CA THR A 76 -8.261 1.728 -10.981 1.00 0.00 C ATOM 787 C THR A 76 -9.615 1.028 -11.000 1.00 0.00 C ATOM 788 O THR A 76 -10.639 1.622 -10.660 1.00 0.00 O ATOM 789 CB THR A 76 -7.806 1.901 -9.519 1.00 0.00 C ATOM 790 OG1 THR A 76 -8.829 2.557 -8.762 1.00 0.00 O ATOM 791 CG2 THR A 76 -6.518 2.707 -9.446 1.00 0.00 C ATOM 0 H THR A 76 -9.177 3.541 -11.503 1.00 0.00 H new ATOM 0 HA THR A 76 -7.531 1.117 -11.511 1.00 0.00 H new ATOM 0 HB THR A 76 -7.622 0.912 -9.099 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.560 2.605 -7.821 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.216 2.816 -8.404 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.734 2.190 -9.999 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.680 3.693 -9.882 1.00 0.00 H new ATOM 799 N CYS A 77 -9.614 -0.239 -11.401 1.00 0.00 N ATOM 800 CA CYS A 77 -10.841 -1.023 -11.464 1.00 0.00 C ATOM 801 C CYS A 77 -11.033 -1.837 -10.188 1.00 0.00 C ATOM 802 O CYS A 77 -11.738 -2.848 -10.185 1.00 0.00 O ATOM 803 CB CYS A 77 -10.816 -1.953 -12.678 1.00 0.00 C ATOM 804 SG CYS A 77 -12.457 -2.293 -13.391 1.00 0.00 S ATOM 0 H CYS A 77 -8.776 -0.745 -11.687 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.679 -0.333 -11.562 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.182 -1.511 -13.447 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.355 -2.897 -12.389 1.00 0.00 H new ATOM 808 N ARG A 78 -10.404 -1.390 -9.106 1.00 0.00 N ATOM 809 CA ARG A 78 -10.504 -2.078 -7.826 1.00 0.00 C ATOM 810 C ARG A 78 -10.732 -1.084 -6.690 1.00 0.00 C ATOM 811 O ARG A 78 -9.818 -0.365 -6.288 1.00 0.00 O ATOM 812 CB ARG A 78 -9.237 -2.892 -7.558 1.00 0.00 C ATOM 813 CG ARG A 78 -7.953 -2.135 -7.857 1.00 0.00 C ATOM 814 CD ARG A 78 -7.507 -2.341 -9.296 1.00 0.00 C ATOM 815 NE ARG A 78 -6.109 -1.971 -9.495 1.00 0.00 N ATOM 816 CZ ARG A 78 -5.510 -1.969 -10.680 1.00 0.00 C ATOM 817 NH1 ARG A 78 -6.185 -2.315 -11.768 1.00 0.00 N ATOM 818 NH2 ARG A 78 -4.233 -1.620 -10.780 1.00 0.00 N ATOM 0 H ARG A 78 -9.820 -0.554 -9.091 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.358 -2.754 -7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.230 -3.204 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.263 -3.799 -8.162 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.104 -1.072 -7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.167 -2.469 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.648 -3.386 -9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.137 -1.748 -9.959 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.562 -1.699 -8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.166 -2.583 -11.695 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.723 -2.313 -12.677 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.710 -1.353 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.774 -1.619 -11.691 1.00 0.00 H new ATOM 829 N TYR A 79 -11.958 -1.047 -6.181 1.00 0.00 N ATOM 830 CA TYR A 79 -12.308 -0.138 -5.095 1.00 0.00 C ATOM 831 C TYR A 79 -11.322 -0.268 -3.937 1.00 0.00 C ATOM 832 O TYR A 79 -10.772 -1.341 -3.694 1.00 0.00 O ATOM 833 CB TYR A 79 -13.729 -0.419 -4.604 1.00 0.00 C ATOM 834 CG TYR A 79 -13.971 -1.868 -4.246 1.00 0.00 C ATOM 835 CD1 TYR A 79 -13.398 -2.430 -3.112 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.770 -2.678 -5.045 1.00 0.00 C ATOM 837 CE1 TYR A 79 -13.614 -3.753 -2.782 1.00 0.00 C ATOM 838 CE2 TYR A 79 -14.994 -4.002 -4.721 1.00 0.00 C ATOM 839 CZ TYR A 79 -14.414 -4.535 -3.589 1.00 0.00 C ATOM 840 OH TYR A 79 -14.633 -5.854 -3.265 1.00 0.00 O ATOM 0 H TYR A 79 -12.726 -1.636 -6.503 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.259 0.881 -5.478 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -13.932 0.201 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -14.437 -0.122 -5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.772 -1.821 -2.477 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -15.223 -2.265 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -13.159 -4.173 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.620 -4.617 -5.351 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.853 -6.208 -2.788 1.00 0.00 H new ATOM 849 N GLY A 80 -11.107 0.834 -3.226 1.00 0.00 N ATOM 850 CA GLY A 80 -10.188 0.823 -2.102 1.00 0.00 C ATOM 851 C GLY A 80 -10.885 1.094 -0.782 1.00 0.00 C ATOM 852 O GLY A 80 -12.110 1.193 -0.729 1.00 0.00 O ATOM 0 H GLY A 80 -11.552 1.734 -3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.689 -0.145 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.414 1.574 -2.262 1.00 0.00 H new ATOM 856 N PHE A 81 -10.101 1.211 0.284 1.00 0.00 N ATOM 857 CA PHE A 81 -10.649 1.469 1.611 1.00 0.00 C ATOM 858 C PHE A 81 -10.185 2.823 2.138 1.00 0.00 C ATOM 859 O PHE A 81 -9.141 2.925 2.784 1.00 0.00 O ATOM 860 CB PHE A 81 -10.234 0.361 2.581 1.00 0.00 C ATOM 861 CG PHE A 81 -10.660 -1.012 2.142 1.00 0.00 C ATOM 862 CD1 PHE A 81 -11.938 -1.232 1.655 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.781 -2.081 2.218 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.333 -2.494 1.250 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.171 -3.344 1.813 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.447 -3.551 1.330 1.00 0.00 C ATOM 0 H PHE A 81 -9.085 1.131 0.255 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.736 1.484 1.531 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.150 0.377 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.662 0.569 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.634 -0.409 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.782 -1.926 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.332 -2.653 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.477 -4.169 1.875 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.753 -4.538 1.015 1.00 0.00 H new ATOM 875 N ILE A 82 -10.966 3.860 1.858 1.00 0.00 N ATOM 876 CA ILE A 82 -10.636 5.207 2.305 1.00 0.00 C ATOM 877 C ILE A 82 -10.829 5.351 3.810 1.00 0.00 C ATOM 878 O ILE A 82 -11.048 4.365 4.514 1.00 0.00 O ATOM 879 CB ILE A 82 -11.494 6.265 1.585 1.00 0.00 C ATOM 880 CG1 ILE A 82 -12.970 6.085 1.943 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.294 6.174 0.080 1.00 0.00 C ATOM 882 CD1 ILE A 82 -13.673 7.382 2.278 1.00 0.00 C ATOM 0 H ILE A 82 -11.832 3.793 1.323 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.587 5.372 2.059 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.177 7.254 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.483 5.609 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.049 5.408 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.907 6.928 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.244 6.346 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.587 5.183 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.716 7.178 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.185 7.850 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.625 8.054 1.421 1.00 0.00 H new ATOM 893 N GLU A 83 -10.747 6.585 4.297 1.00 0.00 N ATOM 894 CA GLU A 83 -10.913 6.857 5.720 1.00 0.00 C ATOM 895 C GLU A 83 -12.138 6.131 6.273 1.00 0.00 C ATOM 896 O GLU A 83 -12.140 5.682 7.419 1.00 0.00 O ATOM 897 CB GLU A 83 -11.047 8.362 5.962 1.00 0.00 C ATOM 898 CG GLU A 83 -11.440 8.717 7.386 1.00 0.00 C ATOM 899 CD GLU A 83 -11.586 10.211 7.596 1.00 0.00 C ATOM 900 OE1 GLU A 83 -12.640 10.763 7.216 1.00 0.00 O ATOM 901 OE2 GLU A 83 -10.647 10.830 8.140 1.00 0.00 O ATOM 0 H GLU A 83 -10.567 7.412 3.728 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.028 6.490 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.099 8.845 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.792 8.767 5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.381 8.226 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.689 8.329 8.074 1.00 0.00 H new ATOM 906 N GLY A 84 -13.175 6.021 5.449 1.00 0.00 N ATOM 907 CA GLY A 84 -14.389 5.350 5.873 1.00 0.00 C ATOM 908 C GLY A 84 -15.406 5.231 4.754 1.00 0.00 C ATOM 909 O GLY A 84 -16.477 5.837 4.812 1.00 0.00 O ATOM 0 H GLY A 84 -13.196 6.384 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.141 4.355 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.831 5.897 6.705 1.00 0.00 H new ATOM 913 N HIS A 85 -15.072 4.451 3.732 1.00 0.00 N ATOM 914 CA HIS A 85 -15.964 4.257 2.595 1.00 0.00 C ATOM 915 C HIS A 85 -15.333 3.329 1.561 1.00 0.00 C ATOM 916 O HIS A 85 -14.283 2.733 1.804 1.00 0.00 O ATOM 917 CB HIS A 85 -16.305 5.601 1.952 1.00 0.00 C ATOM 918 CG HIS A 85 -17.756 5.751 1.608 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.769 5.535 2.519 1.00 0.00 N ATOM 920 CD2 HIS A 85 -18.359 6.098 0.448 1.00 0.00 C ATOM 921 CE1 HIS A 85 -19.935 5.743 1.931 1.00 0.00 C ATOM 922 NE2 HIS A 85 -19.714 6.085 0.675 1.00 0.00 N ATOM 0 H HIS A 85 -14.190 3.943 3.668 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.881 3.795 2.959 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.017 6.403 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -15.711 5.722 1.046 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.867 6.340 -0.483 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.904 5.649 2.399 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.433 6.304 -0.015 1.00 0.00 H new ATOM 929 N VAL A 86 -15.979 3.211 0.406 1.00 0.00 N ATOM 930 CA VAL A 86 -15.480 2.357 -0.665 1.00 0.00 C ATOM 931 C VAL A 86 -15.825 2.935 -2.034 1.00 0.00 C ATOM 932 O VAL A 86 -16.933 2.747 -2.538 1.00 0.00 O ATOM 933 CB VAL A 86 -16.057 0.932 -0.562 1.00 0.00 C ATOM 934 CG1 VAL A 86 -15.446 0.030 -1.624 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.824 0.363 0.830 1.00 0.00 C ATOM 0 H VAL A 86 -16.849 3.696 0.188 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.397 2.311 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 86 -17.132 0.981 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.866 -0.972 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.668 0.430 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.366 -0.015 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -16.238 -0.644 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.754 0.327 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -16.313 0.997 1.569 1.00 0.00 H new ATOM 945 N VAL A 87 -14.867 3.636 -2.631 1.00 0.00 N ATOM 946 CA VAL A 87 -15.067 4.240 -3.944 1.00 0.00 C ATOM 947 C VAL A 87 -14.164 3.594 -4.989 1.00 0.00 C ATOM 948 O VAL A 87 -13.279 2.805 -4.658 1.00 0.00 O ATOM 949 CB VAL A 87 -14.794 5.755 -3.912 1.00 0.00 C ATOM 950 CG1 VAL A 87 -15.732 6.446 -2.932 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.341 6.028 -3.552 1.00 0.00 C ATOM 0 H VAL A 87 -13.945 3.800 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.109 4.072 -4.215 1.00 0.00 H new ATOM 0 HB VAL A 87 -14.981 6.161 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.525 7.516 -2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -16.765 6.279 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.579 6.038 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.167 7.104 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.125 5.609 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.689 5.567 -4.294 1.00 0.00 H new ATOM 961 N ILE A 88 -14.394 3.935 -6.252 1.00 0.00 N ATOM 962 CA ILE A 88 -13.600 3.390 -7.347 1.00 0.00 C ATOM 963 C ILE A 88 -13.668 4.290 -8.576 1.00 0.00 C ATOM 964 O ILE A 88 -14.457 4.070 -9.495 1.00 0.00 O ATOM 965 CB ILE A 88 -14.071 1.977 -7.734 1.00 0.00 C ATOM 966 CG1 ILE A 88 -13.331 1.492 -8.982 1.00 0.00 C ATOM 967 CG2 ILE A 88 -15.575 1.963 -7.966 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.311 -0.015 -9.127 1.00 0.00 C ATOM 0 H ILE A 88 -15.123 4.586 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.570 3.337 -6.994 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.843 1.298 -6.912 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.800 1.927 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.305 1.859 -8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.892 0.956 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.087 2.270 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -15.825 2.653 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.770 -0.286 -10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.816 -0.457 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.333 -0.388 -9.189 1.00 0.00 H new ATOM 979 N PRO A 89 -12.819 5.328 -8.596 1.00 0.00 N ATOM 980 CA PRO A 89 -12.760 6.281 -9.709 1.00 0.00 C ATOM 981 C PRO A 89 -12.184 5.659 -10.977 1.00 0.00 C ATOM 982 O PRO A 89 -11.251 4.859 -10.917 1.00 0.00 O ATOM 983 CB PRO A 89 -11.835 7.383 -9.185 1.00 0.00 C ATOM 984 CG PRO A 89 -10.983 6.706 -8.165 1.00 0.00 C ATOM 985 CD PRO A 89 -11.850 5.652 -7.536 1.00 0.00 C ATOM 0 HA PRO A 89 -13.750 6.637 -9.993 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.231 7.808 -9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.404 8.202 -8.746 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.101 6.262 -8.626 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.629 7.417 -7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.270 4.778 -7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.345 6.023 -6.639 1.00 0.00 H new ATOM 990 N ARG A 90 -12.747 6.031 -12.121 1.00 0.00 N ATOM 991 CA ARG A 90 -12.290 5.508 -13.403 1.00 0.00 C ATOM 992 C ARG A 90 -12.439 6.555 -14.503 1.00 0.00 C ATOM 993 O ARG A 90 -13.423 7.295 -14.538 1.00 0.00 O ATOM 994 CB ARG A 90 -13.075 4.249 -13.775 1.00 0.00 C ATOM 995 CG ARG A 90 -12.398 3.398 -14.836 1.00 0.00 C ATOM 996 CD ARG A 90 -11.191 2.663 -14.275 1.00 0.00 C ATOM 997 NE ARG A 90 -10.639 1.707 -15.231 1.00 0.00 N ATOM 998 CZ ARG A 90 -9.850 2.053 -16.244 1.00 0.00 C ATOM 999 NH1 ARG A 90 -9.523 3.322 -16.431 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -9.388 1.124 -17.071 1.00 0.00 N ATOM 0 H ARG A 90 -13.520 6.693 -12.187 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.234 5.255 -13.306 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.224 3.646 -12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.063 4.540 -14.131 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.111 2.677 -15.235 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.086 4.031 -15.667 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.422 3.385 -14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.477 2.139 -13.363 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.871 0.721 -15.115 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.876 4.039 -15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.918 3.583 -17.209 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.638 0.145 -16.930 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.783 1.389 -17.848 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.457 6.613 -15.395 1.00 0.00 N ATOM 1012 CA ILE A 91 -11.479 7.569 -16.494 1.00 0.00 C ATOM 1013 C ILE A 91 -11.576 6.859 -17.840 1.00 0.00 C ATOM 1014 O ILE A 91 -12.488 7.117 -18.627 1.00 0.00 O ATOM 1015 CB ILE A 91 -10.225 8.464 -16.488 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -9.981 9.028 -15.088 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -10.373 9.589 -17.500 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -8.664 8.595 -14.482 1.00 0.00 C ATOM 0 H ILE A 91 -10.635 6.009 -15.378 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.361 8.193 -16.351 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.363 7.859 -16.770 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.010 10.117 -15.134 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.794 8.715 -14.432 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.479 10.213 -17.484 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -10.503 9.167 -18.497 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -11.243 10.195 -17.246 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.559 9.033 -13.489 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.639 7.508 -14.404 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.844 8.932 -15.116 1.00 0.00 H new ATOM 1029 N HIS A 92 -10.632 5.960 -18.098 1.00 0.00 N ATOM 1030 CA HIS A 92 -10.611 5.208 -19.347 1.00 0.00 C ATOM 1031 C HIS A 92 -10.869 3.725 -19.094 1.00 0.00 C ATOM 1032 O HIS A 92 -9.965 2.893 -19.162 1.00 0.00 O ATOM 1033 CB HIS A 92 -9.268 5.390 -20.054 1.00 0.00 C ATOM 1034 CG HIS A 92 -9.308 5.045 -21.512 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -10.024 5.771 -22.439 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -8.712 4.042 -22.200 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -9.868 5.232 -23.635 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -9.076 4.181 -23.517 1.00 0.00 N ATOM 0 H HIS A 92 -9.871 5.734 -17.458 1.00 0.00 H new ATOM 0 HA HIS A 92 -11.405 5.593 -19.987 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.945 6.425 -19.942 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.520 4.768 -19.562 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.070 3.276 -21.790 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.312 5.589 -24.552 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.782 3.572 -24.280 1.00 0.00 H new ATOM 1045 N PRO A 93 -12.132 3.387 -18.794 1.00 0.00 N ATOM 1046 CA PRO A 93 -12.538 2.005 -18.525 1.00 0.00 C ATOM 1047 C PRO A 93 -12.499 1.135 -19.777 1.00 0.00 C ATOM 1048 O PRO A 93 -12.042 1.569 -20.832 1.00 0.00 O ATOM 1049 CB PRO A 93 -13.976 2.149 -18.020 1.00 0.00 C ATOM 1050 CG PRO A 93 -14.461 3.425 -18.619 1.00 0.00 C ATOM 1051 CD PRO A 93 -13.261 4.328 -18.696 1.00 0.00 C ATOM 0 HA PRO A 93 -11.870 1.515 -17.817 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.592 1.306 -18.332 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.012 2.184 -16.931 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.886 3.255 -19.608 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.246 3.870 -18.007 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.310 4.989 -19.562 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.179 4.964 -17.814 1.00 0.00 H new ATOM 1056 N ASN A 94 -12.981 -0.097 -19.650 1.00 0.00 N ATOM 1057 CA ASN A 94 -13.001 -1.030 -20.772 1.00 0.00 C ATOM 1058 C ASN A 94 -13.937 -2.201 -20.490 1.00 0.00 C ATOM 1059 O ASN A 94 -14.497 -2.313 -19.400 1.00 0.00 O ATOM 1060 CB ASN A 94 -11.589 -1.548 -21.055 1.00 0.00 C ATOM 1061 CG ASN A 94 -11.370 -1.857 -22.523 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -12.317 -1.885 -23.312 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -10.119 -2.092 -22.898 1.00 0.00 N ATOM 0 H ASN A 94 -13.363 -0.473 -18.782 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.369 -0.497 -21.649 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.861 -0.805 -20.730 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.410 -2.448 -20.467 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.911 -2.306 -23.873 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.366 -2.058 -22.211 1.00 0.00 H new ATOM 1069 N SER A 95 -14.104 -3.070 -21.482 1.00 0.00 N ATOM 1070 CA SER A 95 -14.974 -4.231 -21.342 1.00 0.00 C ATOM 1071 C SER A 95 -14.551 -5.089 -20.155 1.00 0.00 C ATOM 1072 O SER A 95 -15.358 -5.825 -19.588 1.00 0.00 O ATOM 1073 CB SER A 95 -14.954 -5.068 -22.624 1.00 0.00 C ATOM 1074 OG SER A 95 -13.685 -5.666 -22.822 1.00 0.00 O ATOM 0 H SER A 95 -13.648 -2.992 -22.391 1.00 0.00 H new ATOM 0 HA SER A 95 -15.988 -3.873 -21.165 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.720 -5.842 -22.569 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.199 -4.437 -23.478 1.00 0.00 H new ATOM 0 HG SER A 95 -13.698 -6.196 -23.646 1.00 0.00 H new ATOM 1079 N ILE A 96 -13.278 -4.989 -19.785 1.00 0.00 N ATOM 1080 CA ILE A 96 -12.747 -5.754 -18.664 1.00 0.00 C ATOM 1081 C ILE A 96 -13.333 -5.274 -17.342 1.00 0.00 C ATOM 1082 O ILE A 96 -13.435 -6.036 -16.381 1.00 0.00 O ATOM 1083 CB ILE A 96 -11.210 -5.661 -18.598 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -10.594 -6.045 -19.944 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -10.674 -6.555 -17.489 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -9.089 -5.903 -19.984 1.00 0.00 C ATOM 0 H ILE A 96 -12.596 -4.386 -20.245 1.00 0.00 H new ATOM 0 HA ILE A 96 -13.034 -6.793 -18.827 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.932 -4.631 -18.375 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.859 -7.077 -20.174 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.030 -5.422 -20.725 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.587 -6.479 -17.454 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.091 -6.238 -16.533 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.960 -7.589 -17.685 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.722 -6.193 -20.969 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.816 -4.867 -19.785 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.642 -6.547 -19.227 1.00 0.00 H new ATOM 1097 N CYS A 97 -13.717 -4.002 -17.300 1.00 0.00 N ATOM 1098 CA CYS A 97 -14.294 -3.416 -16.095 1.00 0.00 C ATOM 1099 C CYS A 97 -15.797 -3.672 -16.034 1.00 0.00 C ATOM 1100 O CYS A 97 -16.369 -4.297 -16.928 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.020 -1.912 -16.051 1.00 0.00 C ATOM 1102 SG CYS A 97 -12.474 -1.462 -15.200 1.00 0.00 S ATOM 0 H CYS A 97 -13.639 -3.357 -18.087 1.00 0.00 H new ATOM 0 HA CYS A 97 -13.826 -3.888 -15.231 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -13.985 -1.530 -17.071 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.854 -1.416 -15.554 1.00 0.00 H new ATOM 1106 N ALA A 98 -16.432 -3.186 -14.973 1.00 0.00 N ATOM 1107 CA ALA A 98 -17.869 -3.358 -14.796 1.00 0.00 C ATOM 1108 C ALA A 98 -18.649 -2.578 -15.847 1.00 0.00 C ATOM 1109 O ALA A 98 -18.996 -1.416 -15.641 1.00 0.00 O ATOM 1110 CB ALA A 98 -18.284 -2.926 -13.397 1.00 0.00 C ATOM 0 H ALA A 98 -15.974 -2.670 -14.222 1.00 0.00 H new ATOM 0 HA ALA A 98 -18.102 -4.416 -14.921 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -19.359 -3.060 -13.279 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -17.760 -3.532 -12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.031 -1.876 -13.250 1.00 0.00 H new ATOM 1116 N ALA A 99 -18.924 -3.226 -16.975 1.00 0.00 N ATOM 1117 CA ALA A 99 -19.666 -2.593 -18.058 1.00 0.00 C ATOM 1118 C ALA A 99 -19.051 -1.249 -18.433 1.00 0.00 C ATOM 1119 O ALA A 99 -19.765 -0.284 -18.703 1.00 0.00 O ATOM 1120 CB ALA A 99 -21.125 -2.417 -17.666 1.00 0.00 C ATOM 0 H ALA A 99 -18.644 -4.189 -17.162 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.612 -3.244 -18.931 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -21.667 -1.943 -18.484 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -21.565 -3.392 -17.456 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.190 -1.790 -16.777 1.00 0.00 H new ATOM 1126 N ASN A 100 -17.723 -1.193 -18.444 1.00 0.00 N ATOM 1127 CA ASN A 100 -17.012 0.035 -18.783 1.00 0.00 C ATOM 1128 C ASN A 100 -17.520 1.206 -17.948 1.00 0.00 C ATOM 1129 O ASN A 100 -17.593 2.336 -18.426 1.00 0.00 O ATOM 1130 CB ASN A 100 -17.174 0.346 -20.272 1.00 0.00 C ATOM 1131 CG ASN A 100 -16.710 -0.794 -21.157 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -17.186 -1.923 -21.034 1.00 0.00 O ATOM 1133 ND2 ASN A 100 -15.772 -0.504 -22.053 1.00 0.00 N ATOM 0 H ASN A 100 -17.118 -1.983 -18.222 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.955 -0.113 -18.562 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.221 0.562 -20.483 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.608 1.245 -20.516 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -15.418 -1.231 -22.674 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -15.406 0.446 -22.119 1.00 0.00 H new ATOM 1139 N ASN A 101 -17.868 0.926 -16.697 1.00 0.00 N ATOM 1140 CA ASN A 101 -18.369 1.956 -15.794 1.00 0.00 C ATOM 1141 C ASN A 101 -17.423 3.152 -15.756 1.00 0.00 C ATOM 1142 O ASN A 101 -16.248 3.041 -16.108 1.00 0.00 O ATOM 1143 CB ASN A 101 -18.548 1.387 -14.385 1.00 0.00 C ATOM 1144 CG ASN A 101 -20.005 1.167 -14.030 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -20.449 1.519 -12.937 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -20.756 0.580 -14.955 1.00 0.00 N ATOM 0 H ASN A 101 -17.812 -0.005 -16.285 1.00 0.00 H new ATOM 0 HA ASN A 101 -19.336 2.292 -16.167 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -18.011 0.441 -14.307 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -18.100 2.068 -13.662 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -21.744 0.404 -14.773 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.345 0.305 -15.847 1.00 0.00 H new ATOM 1152 N THR A 102 -17.942 4.297 -15.324 1.00 0.00 N ATOM 1153 CA THR A 102 -17.146 5.514 -15.240 1.00 0.00 C ATOM 1154 C THR A 102 -17.457 6.288 -13.964 1.00 0.00 C ATOM 1155 O THR A 102 -18.227 5.830 -13.121 1.00 0.00 O ATOM 1156 CB THR A 102 -17.387 6.430 -16.455 1.00 0.00 C ATOM 1157 OG1 THR A 102 -18.760 6.832 -16.499 1.00 0.00 O ATOM 1158 CG2 THR A 102 -17.019 5.719 -17.749 1.00 0.00 C ATOM 0 H THR A 102 -18.912 4.406 -15.027 1.00 0.00 H new ATOM 0 HA THR A 102 -16.100 5.206 -15.229 1.00 0.00 H new ATOM 0 HB THR A 102 -16.754 7.311 -16.351 1.00 0.00 H new ATOM 0 HG1 THR A 102 -18.905 7.415 -17.273 1.00 0.00 H new ATOM 0 HG21 THR A 102 -17.197 6.385 -18.593 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.966 5.439 -17.724 1.00 0.00 H new ATOM 0 HG23 THR A 102 -17.630 4.823 -17.858 1.00 0.00 H new ATOM 1166 N GLY A 103 -16.855 7.467 -13.830 1.00 0.00 N ATOM 1167 CA GLY A 103 -17.082 8.287 -12.655 1.00 0.00 C ATOM 1168 C GLY A 103 -16.416 7.722 -11.417 1.00 0.00 C ATOM 1169 O GLY A 103 -15.356 7.102 -11.500 1.00 0.00 O ATOM 0 H GLY A 103 -16.214 7.868 -14.515 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -16.705 9.293 -12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.154 8.375 -12.479 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.038 7.936 -10.261 1.00 0.00 N ATOM 1174 CA VAL A 104 -16.499 7.444 -9.000 1.00 0.00 C ATOM 1175 C VAL A 104 -17.476 6.495 -8.315 1.00 0.00 C ATOM 1176 O VAL A 104 -17.995 6.791 -7.239 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.169 8.603 -8.040 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -15.430 8.088 -6.815 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.355 9.670 -8.754 1.00 0.00 C ATOM 0 H VAL A 104 -17.916 8.447 -10.173 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.582 6.906 -9.238 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.104 9.054 -7.707 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.205 8.921 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.054 7.363 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.500 7.611 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.131 10.481 -8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.424 9.235 -9.117 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -15.926 10.060 -9.597 1.00 0.00 H new ATOM 1189 N TYR A 105 -17.724 5.354 -8.949 1.00 0.00 N ATOM 1190 CA TYR A 105 -18.643 4.362 -8.403 1.00 0.00 C ATOM 1191 C TYR A 105 -18.227 3.952 -6.994 1.00 0.00 C ATOM 1192 O TYR A 105 -17.103 4.213 -6.566 1.00 0.00 O ATOM 1193 CB TYR A 105 -18.693 3.130 -9.309 1.00 0.00 C ATOM 1194 CG TYR A 105 -19.970 2.331 -9.175 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -21.116 2.692 -9.874 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.032 1.217 -8.348 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -22.284 1.965 -9.754 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -21.196 0.483 -8.223 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.319 0.861 -8.927 1.00 0.00 C ATOM 1200 OH TYR A 105 -23.480 0.135 -8.805 1.00 0.00 O ATOM 0 H TYR A 105 -17.302 5.093 -9.840 1.00 0.00 H new ATOM 0 HA TYR A 105 -19.635 4.811 -8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.580 3.447 -10.346 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -17.845 2.485 -9.078 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -21.093 3.556 -10.522 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -19.155 0.919 -7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -23.165 2.259 -10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -21.226 -0.382 -7.577 1.00 0.00 H new ATOM 0 HH TYR A 105 -23.336 -0.611 -8.186 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.145 3.311 -6.277 1.00 0.00 N ATOM 1210 CA ILE A 106 -18.874 2.864 -4.915 1.00 0.00 C ATOM 1211 C ILE A 106 -19.425 1.462 -4.678 1.00 0.00 C ATOM 1212 O ILE A 106 -20.245 0.966 -5.451 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.482 3.825 -3.877 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -21.010 3.779 -3.940 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -18.979 5.243 -4.109 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -21.684 4.687 -2.935 1.00 0.00 C ATOM 0 H ILE A 106 -20.081 3.090 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 106 -17.791 2.851 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 106 -19.169 3.507 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -21.333 4.058 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -21.342 2.754 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -19.418 5.911 -3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -17.893 5.263 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -19.266 5.572 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -22.766 4.603 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -21.391 4.395 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -21.382 5.718 -3.116 1.00 0.00 H new ATOM 1227 N LEU A 107 -18.969 0.828 -3.603 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.417 -0.517 -3.261 1.00 0.00 C ATOM 1229 C LEU A 107 -19.812 -0.603 -1.789 1.00 0.00 C ATOM 1230 O LEU A 107 -19.210 0.050 -0.936 1.00 0.00 O ATOM 1231 CB LEU A 107 -18.317 -1.535 -3.565 1.00 0.00 C ATOM 1232 CG LEU A 107 -18.349 -2.159 -4.961 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -19.641 -2.933 -5.171 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -18.187 -1.087 -6.029 1.00 0.00 C ATOM 0 H LEU A 107 -18.289 1.224 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.294 -0.746 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.351 -1.049 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.377 -2.337 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.515 -2.856 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.645 -3.370 -6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.715 -3.727 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -20.491 -2.258 -5.066 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.212 -1.550 -7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.999 -0.365 -5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.233 -0.578 -5.891 1.00 0.00 H new ATOM 1306 N GLN A 113 -9.660 -10.027 0.964 1.00 0.00 N ATOM 1307 CA GLN A 113 -8.725 -8.909 0.972 1.00 0.00 C ATOM 1308 C GLN A 113 -8.776 -8.145 -0.347 1.00 0.00 C ATOM 1309 O GLN A 113 -9.198 -8.684 -1.370 1.00 0.00 O ATOM 1310 CB GLN A 113 -7.303 -9.407 1.234 1.00 0.00 C ATOM 1311 CG GLN A 113 -7.111 -10.003 2.619 1.00 0.00 C ATOM 1312 CD GLN A 113 -7.645 -11.418 2.723 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -7.152 -12.329 2.060 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -8.658 -11.609 3.563 1.00 0.00 N ATOM 0 HA GLN A 113 -9.017 -8.230 1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.047 -10.157 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -6.607 -8.578 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.050 -10.000 2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.613 -9.374 3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.036 -10.824 4.093 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -9.057 -12.541 3.677 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.342 -6.890 -0.316 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.340 -6.052 -1.509 1.00 0.00 C ATOM 1323 C TYR A 114 -7.238 -4.999 -1.434 1.00 0.00 C ATOM 1324 O TYR A 114 -6.447 -4.979 -0.492 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.700 -5.373 -1.682 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.811 -6.328 -2.059 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.845 -6.924 -3.313 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -11.827 -6.631 -1.161 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -11.858 -7.796 -3.662 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.842 -7.503 -1.500 1.00 0.00 C ATOM 1331 CZ TYR A 114 -12.854 -8.082 -2.751 1.00 0.00 C ATOM 1332 OH TYR A 114 -13.866 -8.950 -3.094 1.00 0.00 O ATOM 0 H TYR A 114 -7.987 -6.431 0.523 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.148 -6.691 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.966 -4.869 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.617 -4.604 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.066 -6.702 -4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -11.823 -6.177 -0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -11.870 -8.251 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.622 -7.730 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 114 -14.486 -9.044 -2.341 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.194 -4.127 -2.436 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.191 -3.071 -2.484 1.00 0.00 C ATOM 1343 C ASP A 115 -6.473 -2.004 -1.429 1.00 0.00 C ATOM 1344 O ASP A 115 -7.516 -2.024 -0.774 1.00 0.00 O ATOM 1345 CB ASP A 115 -6.158 -2.433 -3.874 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.794 -1.869 -4.220 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -3.851 -2.064 -3.424 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -4.669 -1.233 -5.286 1.00 0.00 O ATOM 0 H ASP A 115 -7.841 -4.131 -3.225 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.219 -3.518 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.440 -3.177 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.900 -1.636 -3.923 1.00 0.00 H new ATOM 1352 N THR A 116 -5.537 -1.075 -1.269 1.00 0.00 N ATOM 1353 CA THR A 116 -5.683 -0.003 -0.293 1.00 0.00 C ATOM 1354 C THR A 116 -5.050 1.290 -0.796 1.00 0.00 C ATOM 1355 O THR A 116 -3.952 1.280 -1.353 1.00 0.00 O ATOM 1356 CB THR A 116 -5.043 -0.382 1.058 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.393 0.586 2.053 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.529 -0.466 0.935 1.00 0.00 C ATOM 0 H THR A 116 -4.669 -1.043 -1.803 1.00 0.00 H new ATOM 0 HA THR A 116 -6.753 0.151 -0.151 1.00 0.00 H new ATOM 0 HB THR A 116 -5.422 -1.360 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.616 0.765 2.623 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.100 -0.735 1.900 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.265 -1.224 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.135 0.500 0.619 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.750 2.401 -0.597 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.258 3.703 -1.034 1.00 0.00 C ATOM 1368 C TYR A 117 -4.771 4.527 0.154 1.00 0.00 C ATOM 1369 O TYR A 117 -5.236 4.350 1.280 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.355 4.461 -1.781 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.871 3.735 -3.003 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -5.999 3.090 -3.871 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.230 3.693 -3.287 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.466 2.425 -4.988 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.706 3.029 -4.402 1.00 0.00 C ATOM 1376 CZ TYR A 117 -7.820 2.397 -5.249 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.289 1.735 -6.360 1.00 0.00 O ATOM 0 H TYR A 117 -6.660 2.427 -0.136 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.417 3.539 -1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.186 4.644 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.970 5.435 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -4.938 3.109 -3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.926 4.187 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -5.775 1.930 -5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.766 3.005 -4.609 1.00 0.00 H new ATOM 0 HH TYR A 117 -8.978 1.092 -6.091 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.832 5.429 -0.106 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.281 6.284 0.940 1.00 0.00 C ATOM 1388 C CYS A 118 -3.048 7.698 0.419 1.00 0.00 C ATOM 1389 O CYS A 118 -2.862 7.909 -0.780 1.00 0.00 O ATOM 1390 CB CYS A 118 -1.968 5.699 1.464 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.161 4.125 2.362 1.00 0.00 S ATOM 0 H CYS A 118 -3.436 5.588 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.002 6.331 1.756 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.290 5.545 0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.497 6.427 2.125 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.057 8.667 1.330 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.846 10.063 0.964 1.00 0.00 C ATOM 1397 C PHE A 119 -1.709 10.673 1.776 1.00 0.00 C ATOM 1398 O PHE A 119 -1.709 10.613 3.006 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.131 10.867 1.178 1.00 0.00 C ATOM 1400 CG PHE A 119 -3.933 12.351 1.073 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.245 12.899 0.003 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -4.434 13.201 2.048 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.061 14.266 -0.096 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -4.253 14.568 1.953 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.565 15.100 0.881 1.00 0.00 C ATOM 0 H PHE A 119 -3.208 8.511 2.327 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.574 10.099 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.872 10.554 0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.538 10.631 2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -2.847 12.251 -0.764 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.971 12.790 2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.524 14.680 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -4.650 15.220 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.421 16.168 0.807 1.00 0.00 H new ATOM 1414 N ASN A 120 -0.741 11.260 1.081 1.00 0.00 N ATOM 1415 CA ASN A 120 0.403 11.881 1.739 1.00 0.00 C ATOM 1416 C ASN A 120 0.483 13.368 1.402 1.00 0.00 C ATOM 1417 O ASN A 120 0.709 13.743 0.252 1.00 0.00 O ATOM 1418 CB ASN A 120 1.699 11.182 1.321 1.00 0.00 C ATOM 1419 CG ASN A 120 2.818 11.393 2.322 1.00 0.00 C ATOM 1420 OD1 ASN A 120 2.711 12.222 3.226 1.00 0.00 O ATOM 1421 ND2 ASN A 120 3.901 10.641 2.165 1.00 0.00 N ATOM 0 H ASN A 120 -0.725 11.319 0.063 1.00 0.00 H new ATOM 0 HA ASN A 120 0.272 11.777 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.513 10.114 1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.012 11.556 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.687 10.738 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.947 9.966 1.402 1.00 0.00 H new ATOM 1427 N ALA A 121 0.298 14.208 2.414 1.00 0.00 N ATOM 1428 CA ALA A 121 0.352 15.654 2.228 1.00 0.00 C ATOM 1429 C ALA A 121 1.759 16.106 1.857 1.00 0.00 C ATOM 1430 O ALA A 121 1.943 17.174 1.273 1.00 0.00 O ATOM 1431 CB ALA A 121 -0.120 16.366 3.486 1.00 0.00 C ATOM 0 H ALA A 121 0.109 13.913 3.372 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.314 15.916 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.074 17.444 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.147 16.074 3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.522 16.091 4.323 1.00 0.00 H new ATOM 1437 N SER A 122 2.749 15.289 2.198 1.00 0.00 N ATOM 1438 CA SER A 122 4.141 15.607 1.905 1.00 0.00 C ATOM 1439 C SER A 122 4.325 15.926 0.423 1.00 0.00 C ATOM 1440 O SER A 122 4.657 17.053 0.056 1.00 0.00 O ATOM 1441 CB SER A 122 5.050 14.444 2.305 1.00 0.00 C ATOM 1442 OG SER A 122 6.233 14.911 2.928 1.00 0.00 O ATOM 0 H SER A 122 2.613 14.400 2.679 1.00 0.00 H new ATOM 0 HA SER A 122 4.416 16.487 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 122 4.517 13.779 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.307 13.859 1.422 1.00 0.00 H new ATOM 0 HG SER A 122 6.213 14.682 3.881 1.00 0.00 H new ATOM 1447 N ALA A 123 4.106 14.924 -0.421 1.00 0.00 N ATOM 1448 CA ALA A 123 4.246 15.095 -1.862 1.00 0.00 C ATOM 1449 C ALA A 123 3.443 16.296 -2.352 1.00 0.00 C ATOM 1450 O ALA A 123 2.518 16.767 -1.690 1.00 0.00 O ATOM 1451 CB ALA A 123 3.806 13.833 -2.589 1.00 0.00 C ATOM 0 H ALA A 123 3.831 13.985 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 123 5.298 15.279 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.916 13.975 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.424 12.994 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.762 13.624 -2.356 1.00 0.00 H new ATOM 1457 N PRO A 124 3.804 16.804 -3.540 1.00 0.00 N ATOM 1458 CA PRO A 124 3.131 17.958 -4.144 1.00 0.00 C ATOM 1459 C PRO A 124 1.715 17.625 -4.606 1.00 0.00 C ATOM 1460 O PRO A 124 1.325 16.461 -4.702 1.00 0.00 O ATOM 1461 CB PRO A 124 4.018 18.299 -5.343 1.00 0.00 C ATOM 1462 CG PRO A 124 4.701 17.019 -5.686 1.00 0.00 C ATOM 1463 CD PRO A 124 4.897 16.294 -4.383 1.00 0.00 C ATOM 0 HA PRO A 124 3.015 18.779 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.426 18.669 -6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.739 19.078 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.099 16.427 -6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.656 17.205 -6.177 1.00 0.00 H new ATOM 0 HD2 PRO A 124 4.835 15.213 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.873 16.507 -3.948 1.00 0.00 H new ATOM 1468 N PRO A 125 0.927 18.670 -4.899 1.00 0.00 N ATOM 1469 CA PRO A 125 -0.457 18.514 -5.358 1.00 0.00 C ATOM 1470 C PRO A 125 -0.540 17.931 -6.764 1.00 0.00 C ATOM 1471 O PRO A 125 -1.623 17.603 -7.246 1.00 0.00 O ATOM 1472 CB PRO A 125 -1.001 19.944 -5.338 1.00 0.00 C ATOM 1473 CG PRO A 125 0.203 20.809 -5.495 1.00 0.00 C ATOM 1474 CD PRO A 125 1.325 20.085 -4.806 1.00 0.00 C ATOM 0 HA PRO A 125 -1.018 17.821 -4.731 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.714 20.108 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -1.522 20.156 -4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.432 20.972 -6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 125 0.040 21.790 -5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.281 20.266 -5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 125 1.433 20.405 -3.770 1.00 0.00 H new ATOM 1479 N GLU A 126 0.612 17.806 -7.416 1.00 0.00 N ATOM 1480 CA GLU A 126 0.668 17.263 -8.768 1.00 0.00 C ATOM 1481 C GLU A 126 0.919 15.759 -8.741 1.00 0.00 C ATOM 1482 O GLU A 126 0.956 15.146 -7.674 1.00 0.00 O ATOM 1483 CB GLU A 126 1.765 17.960 -9.577 1.00 0.00 C ATOM 1484 CG GLU A 126 1.759 19.472 -9.432 1.00 0.00 C ATOM 1485 CD GLU A 126 2.684 20.156 -10.422 1.00 0.00 C ATOM 1486 OE1 GLU A 126 2.734 19.715 -11.588 1.00 0.00 O ATOM 1487 OE2 GLU A 126 3.358 21.131 -10.028 1.00 0.00 O ATOM 0 H GLU A 126 1.518 18.073 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.296 17.444 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.736 17.577 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.647 17.704 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.744 19.843 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.058 19.737 -8.418 1.00 0.00 H new ATOM 1492 N GLU A 127 1.091 15.171 -9.921 1.00 0.00 N ATOM 1493 CA GLU A 127 1.336 13.738 -10.031 1.00 0.00 C ATOM 1494 C GLU A 127 2.809 13.418 -9.788 1.00 0.00 C ATOM 1495 O GLU A 127 3.563 13.164 -10.726 1.00 0.00 O ATOM 1496 CB GLU A 127 0.915 13.231 -11.412 1.00 0.00 C ATOM 1497 CG GLU A 127 1.510 14.027 -12.561 1.00 0.00 C ATOM 1498 CD GLU A 127 0.505 14.962 -13.205 1.00 0.00 C ATOM 1499 OE1 GLU A 127 -0.572 14.481 -13.617 1.00 0.00 O ATOM 1500 OE2 GLU A 127 0.794 16.173 -13.299 1.00 0.00 O ATOM 0 H GLU A 127 1.065 15.665 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 127 0.741 13.234 -9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.212 12.187 -11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.172 13.261 -11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.358 14.607 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.895 13.339 -13.314 1.00 0.00 H new ATOM 1505 N ASP A 128 3.209 13.435 -8.522 1.00 0.00 N ATOM 1506 CA ASP A 128 4.591 13.146 -8.153 1.00 0.00 C ATOM 1507 C ASP A 128 4.877 11.650 -8.244 1.00 0.00 C ATOM 1508 O ASP A 128 4.656 10.906 -7.289 1.00 0.00 O ATOM 1509 CB ASP A 128 4.879 13.648 -6.738 1.00 0.00 C ATOM 1510 CG ASP A 128 6.295 14.164 -6.583 1.00 0.00 C ATOM 1511 OD1 ASP A 128 6.572 15.285 -7.061 1.00 0.00 O ATOM 1512 OD2 ASP A 128 7.127 13.450 -5.984 1.00 0.00 O ATOM 0 H ASP A 128 2.597 13.646 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 128 5.244 13.665 -8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.177 14.443 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.711 12.839 -6.027 1.00 0.00 H new ATOM 1516 N CYS A 129 5.368 11.216 -9.400 1.00 0.00 N ATOM 1517 CA CYS A 129 5.683 9.810 -9.618 1.00 0.00 C ATOM 1518 C CYS A 129 7.137 9.515 -9.258 1.00 0.00 C ATOM 1519 O CYS A 129 7.927 9.102 -10.107 1.00 0.00 O ATOM 1520 CB CYS A 129 5.419 9.426 -11.075 1.00 0.00 C ATOM 1521 SG CYS A 129 5.400 7.631 -11.379 1.00 0.00 S ATOM 0 H CYS A 129 5.556 11.819 -10.201 1.00 0.00 H new ATOM 0 HA CYS A 129 5.039 9.215 -8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 129 4.461 9.846 -11.382 1.00 0.00 H new ATOM 0 HB3 CYS A 129 6.183 9.882 -11.704 1.00 0.00 H new ATOM 1525 N THR A 130 7.484 9.733 -7.993 1.00 0.00 N ATOM 1526 CA THR A 130 8.841 9.492 -7.520 1.00 0.00 C ATOM 1527 C THR A 130 8.916 9.568 -6.001 1.00 0.00 C ATOM 1528 O THR A 130 8.042 10.149 -5.354 1.00 0.00 O ATOM 1529 CB THR A 130 9.834 10.505 -8.122 1.00 0.00 C ATOM 1530 OG1 THR A 130 9.134 11.676 -8.557 1.00 0.00 O ATOM 1531 CG2 THR A 130 10.586 9.894 -9.295 1.00 0.00 C ATOM 0 H THR A 130 6.843 10.076 -7.278 1.00 0.00 H new ATOM 0 HA THR A 130 9.114 8.488 -7.845 1.00 0.00 H new ATOM 0 HB THR A 130 10.554 10.777 -7.351 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.772 12.316 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.281 10.628 -9.704 1.00 0.00 H new ATOM 0 HG22 THR A 130 11.140 9.019 -8.956 1.00 0.00 H new ATOM 0 HG23 THR A 130 9.876 9.597 -10.067 1.00 0.00 H new ATOM 1539 N SER A 131 9.963 8.978 -5.433 1.00 0.00 N ATOM 1540 CA SER A 131 10.149 8.975 -3.987 1.00 0.00 C ATOM 1541 C SER A 131 10.096 10.395 -3.430 1.00 0.00 C ATOM 1542 O SER A 131 10.528 11.346 -4.082 1.00 0.00 O ATOM 1543 CB SER A 131 11.484 8.323 -3.623 1.00 0.00 C ATOM 1544 OG SER A 131 11.837 7.326 -4.568 1.00 0.00 O ATOM 0 H SER A 131 10.696 8.496 -5.953 1.00 0.00 H new ATOM 0 HA SER A 131 9.338 8.397 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 131 12.265 9.083 -3.582 1.00 0.00 H new ATOM 0 HB3 SER A 131 11.418 7.880 -2.629 1.00 0.00 H new ATOM 0 HG SER A 131 12.496 6.718 -4.172 1.00 0.00 H new ATOM 1549 N VAL A 132 9.561 10.529 -2.221 1.00 0.00 N ATOM 1550 CA VAL A 132 9.451 11.831 -1.574 1.00 0.00 C ATOM 1551 C VAL A 132 9.821 11.745 -0.097 1.00 0.00 C ATOM 1552 O VAL A 132 10.693 12.473 0.380 1.00 0.00 O ATOM 1553 CB VAL A 132 8.027 12.404 -1.702 1.00 0.00 C ATOM 1554 CG1 VAL A 132 7.967 13.818 -1.145 1.00 0.00 C ATOM 1555 CG2 VAL A 132 7.569 12.373 -3.154 1.00 0.00 C ATOM 0 H VAL A 132 9.197 9.752 -1.670 1.00 0.00 H new ATOM 0 HA VAL A 132 10.149 12.496 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 132 7.350 11.781 -1.118 1.00 0.00 H new ATOM 0 HG11 VAL A 132 6.953 14.206 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 132 8.250 13.807 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 132 8.655 14.457 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 132 6.561 12.781 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 132 8.247 12.971 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.570 11.344 -3.514 1.00 0.00 H new ATOM 1565 N THR A 133 9.153 10.850 0.623 1.00 0.00 N ATOM 1566 CA THR A 133 9.411 10.670 2.046 1.00 0.00 C ATOM 1567 C THR A 133 9.379 9.193 2.426 1.00 0.00 C ATOM 1568 O THR A 133 8.952 8.348 1.639 1.00 0.00 O ATOM 1569 CB THR A 133 8.385 11.432 2.905 1.00 0.00 C ATOM 1570 OG1 THR A 133 7.125 10.751 2.883 1.00 0.00 O ATOM 1571 CG2 THR A 133 8.205 12.855 2.399 1.00 0.00 C ATOM 0 H THR A 133 8.430 10.239 0.244 1.00 0.00 H new ATOM 0 HA THR A 133 10.405 11.072 2.241 1.00 0.00 H new ATOM 0 HB THR A 133 8.760 11.471 3.928 1.00 0.00 H new ATOM 0 HG1 THR A 133 6.528 11.146 3.553 1.00 0.00 H new ATOM 0 HG21 THR A 133 7.476 13.373 3.022 1.00 0.00 H new ATOM 0 HG22 THR A 133 9.159 13.381 2.444 1.00 0.00 H new ATOM 0 HG23 THR A 133 7.851 12.833 1.368 1.00 0.00 H new ATOM 1579 N ASP A 134 9.831 8.890 3.638 1.00 0.00 N ATOM 1580 CA ASP A 134 9.853 7.515 4.124 1.00 0.00 C ATOM 1581 C ASP A 134 8.937 7.352 5.333 1.00 0.00 C ATOM 1582 O ASP A 134 8.405 8.330 5.859 1.00 0.00 O ATOM 1583 CB ASP A 134 11.280 7.102 4.489 1.00 0.00 C ATOM 1584 CG ASP A 134 11.979 8.138 5.349 1.00 0.00 C ATOM 1585 OD1 ASP A 134 11.382 8.577 6.353 1.00 0.00 O ATOM 1586 OD2 ASP A 134 13.125 8.509 5.016 1.00 0.00 O ATOM 0 H ASP A 134 10.187 9.578 4.302 1.00 0.00 H new ATOM 0 HA ASP A 134 9.490 6.868 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.256 6.150 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.854 6.944 3.576 1.00 0.00 H new ATOM 1590 N LEU A 135 8.756 6.108 5.768 1.00 0.00 N ATOM 1591 CA LEU A 135 7.903 5.816 6.914 1.00 0.00 C ATOM 1592 C LEU A 135 8.425 6.506 8.171 1.00 0.00 C ATOM 1593 O LEU A 135 9.599 6.865 8.270 1.00 0.00 O ATOM 1594 CB LEU A 135 7.823 4.306 7.142 1.00 0.00 C ATOM 1595 CG LEU A 135 9.137 3.536 7.006 1.00 0.00 C ATOM 1596 CD1 LEU A 135 9.247 2.473 8.087 1.00 0.00 C ATOM 1597 CD2 LEU A 135 9.243 2.906 5.624 1.00 0.00 C ATOM 0 H LEU A 135 9.189 5.287 5.344 1.00 0.00 H new ATOM 0 HA LEU A 135 6.905 6.198 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.424 4.130 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.106 3.889 6.434 1.00 0.00 H new ATOM 0 HG LEU A 135 9.962 4.237 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.188 1.935 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 135 9.215 2.947 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.416 1.773 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 135 10.184 2.362 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.411 2.218 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 135 9.210 3.687 4.865 1.00 0.00 H new ATOM 1608 N PRO A 136 7.535 6.692 9.157 1.00 0.00 N ATOM 1609 CA PRO A 136 7.884 7.337 10.426 1.00 0.00 C ATOM 1610 C PRO A 136 8.799 6.469 11.285 1.00 0.00 C ATOM 1611 O PRO A 136 9.298 6.911 12.318 1.00 0.00 O ATOM 1612 CB PRO A 136 6.528 7.525 11.113 1.00 0.00 C ATOM 1613 CG PRO A 136 5.658 6.467 10.528 1.00 0.00 C ATOM 1614 CD PRO A 136 6.121 6.288 9.108 1.00 0.00 C ATOM 0 HA PRO A 136 8.433 8.266 10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 136 6.613 7.415 12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 136 6.123 8.519 10.925 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.746 5.536 11.088 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.609 6.761 10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 136 6.009 5.256 8.776 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.549 6.908 8.418 1.00 0.00 H new ATOM 1708 N THR A 144 11.171 -4.599 2.791 1.00 0.00 N ATOM 1709 CA THR A 144 11.601 -3.517 1.913 1.00 0.00 C ATOM 1710 C THR A 144 10.461 -3.048 1.017 1.00 0.00 C ATOM 1711 O THR A 144 9.436 -3.719 0.899 1.00 0.00 O ATOM 1712 CB THR A 144 12.789 -3.948 1.033 1.00 0.00 C ATOM 1713 OG1 THR A 144 13.546 -4.965 1.696 1.00 0.00 O ATOM 1714 CG2 THR A 144 13.688 -2.761 0.720 1.00 0.00 C ATOM 0 HA THR A 144 11.914 -2.694 2.555 1.00 0.00 H new ATOM 0 HB THR A 144 12.395 -4.342 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 144 12.956 -5.480 2.286 1.00 0.00 H new ATOM 0 HG21 THR A 144 14.520 -3.089 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 144 13.115 -2.001 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 144 14.073 -2.341 1.649 1.00 0.00 H new ATOM 1722 N ILE A 145 10.647 -1.892 0.389 1.00 0.00 N ATOM 1723 CA ILE A 145 9.634 -1.335 -0.500 1.00 0.00 C ATOM 1724 C ILE A 145 10.256 -0.833 -1.797 1.00 0.00 C ATOM 1725 O ILE A 145 11.417 -0.419 -1.824 1.00 0.00 O ATOM 1726 CB ILE A 145 8.871 -0.179 0.173 1.00 0.00 C ATOM 1727 CG1 ILE A 145 9.832 0.955 0.533 1.00 0.00 C ATOM 1728 CG2 ILE A 145 8.141 -0.676 1.412 1.00 0.00 C ATOM 1729 CD1 ILE A 145 9.310 2.328 0.172 1.00 0.00 C ATOM 0 H ILE A 145 11.489 -1.323 0.479 1.00 0.00 H new ATOM 0 HA ILE A 145 8.934 -2.140 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 145 8.132 0.206 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 145 10.035 0.922 1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.782 0.791 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 145 7.607 0.153 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.431 -1.453 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 145 8.862 -1.085 2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 145 10.044 3.082 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.134 2.379 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.376 2.513 0.702 1.00 0.00 H new ATOM 1740 N THR A 146 9.478 -0.868 -2.874 1.00 0.00 N ATOM 1741 CA THR A 146 9.951 -0.415 -4.176 1.00 0.00 C ATOM 1742 C THR A 146 9.050 0.677 -4.739 1.00 0.00 C ATOM 1743 O THR A 146 7.874 0.442 -5.018 1.00 0.00 O ATOM 1744 CB THR A 146 10.021 -1.578 -5.183 1.00 0.00 C ATOM 1745 OG1 THR A 146 10.219 -1.068 -6.507 1.00 0.00 O ATOM 1746 CG2 THR A 146 8.747 -2.408 -5.141 1.00 0.00 C ATOM 0 H THR A 146 8.516 -1.206 -2.870 1.00 0.00 H new ATOM 0 HA THR A 146 10.953 -0.013 -4.026 1.00 0.00 H new ATOM 0 HB THR A 146 10.861 -2.216 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.264 -1.814 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 146 8.820 -3.223 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 146 8.613 -2.818 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 146 7.894 -1.778 -5.392 1.00 0.00 H new ATOM 1754 N ILE A 147 9.609 1.872 -4.906 1.00 0.00 N ATOM 1755 CA ILE A 147 8.856 3.000 -5.437 1.00 0.00 C ATOM 1756 C ILE A 147 9.098 3.166 -6.934 1.00 0.00 C ATOM 1757 O ILE A 147 10.138 2.764 -7.454 1.00 0.00 O ATOM 1758 CB ILE A 147 9.224 4.312 -4.721 1.00 0.00 C ATOM 1759 CG1 ILE A 147 8.215 5.410 -5.069 1.00 0.00 C ATOM 1760 CG2 ILE A 147 10.634 4.743 -5.096 1.00 0.00 C ATOM 1761 CD1 ILE A 147 7.863 6.299 -3.897 1.00 0.00 C ATOM 0 H ILE A 147 10.581 2.083 -4.681 1.00 0.00 H new ATOM 0 HA ILE A 147 7.802 2.785 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 147 9.191 4.142 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.622 6.025 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.305 4.948 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 147 10.879 5.672 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 147 11.342 3.968 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.693 4.898 -6.173 1.00 0.00 H new ATOM 0 HD11 ILE A 147 7.144 7.054 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 147 7.427 5.696 -3.101 1.00 0.00 H new ATOM 0 HD13 ILE A 147 8.764 6.789 -3.529 1.00 0.00 H new ATOM 1772 N VAL A 148 8.130 3.762 -7.623 1.00 0.00 N ATOM 1773 CA VAL A 148 8.239 3.986 -9.060 1.00 0.00 C ATOM 1774 C VAL A 148 9.109 5.201 -9.363 1.00 0.00 C ATOM 1775 O VAL A 148 8.999 6.235 -8.706 1.00 0.00 O ATOM 1776 CB VAL A 148 6.854 4.186 -9.703 1.00 0.00 C ATOM 1777 CG1 VAL A 148 6.057 2.890 -9.670 1.00 0.00 C ATOM 1778 CG2 VAL A 148 6.098 5.304 -9.003 1.00 0.00 C ATOM 0 H VAL A 148 7.261 4.099 -7.209 1.00 0.00 H new ATOM 0 HA VAL A 148 8.703 3.096 -9.485 1.00 0.00 H new ATOM 0 HB VAL A 148 6.995 4.471 -10.746 1.00 0.00 H new ATOM 0 HG11 VAL A 148 5.081 3.051 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 148 6.594 2.118 -10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 148 5.924 2.571 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 148 5.122 5.431 -9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 148 5.966 5.051 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.663 6.232 -9.085 1.00 0.00 H new