USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 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 76 THR OG1 : rot -152:sc= 1.25 USER MOD Set 1.2: A 117 TYR OH : rot 134:sc= 1.45 USER MOD Set 2.1: A 62 THR OG1 : rot -149:sc= 1.43 USER MOD Set 2.2: A 65 GLN : amide:sc= -0.584 K(o=0.84,f=-2.3) USER MOD Set 3.1: A 57 ASN : amide:sc= -5.51 K(o=-9.9,f=-11!) USER MOD Set 3.2: A 58 SER OG : rot 85:sc= 0.398 USER MOD Set 3.3: A 120 ASN : amide:sc= -5.1 K(o=-9.9,f=-16!) USER MOD Set 3.4: A 122 SER OG : rot -140:sc= 0.274 USER MOD Set 3.5: A 133 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 25 ASN :FLIP amide:sc= -2.11! F(o=-3.1,f=-2.1!) USER MOD Set 4.2: A 146 THR OG1 : rot 94:sc= -0.0161 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.225 F(o=-1.4,f=-0.23) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.42 K(o=-1.4,f=-5.3!) USER MOD Single : A 42 TYR OH : rot 150:sc= -0.743 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0152 (180deg=-0.189) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 157:sc= 0 (180deg=-0.859) USER MOD Single : A 66 MET CE :methyl 162:sc= -3.46 (180deg=-5.09!) 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 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=-0.19) USER MOD Single : A 92 HIS : no HD1:sc=-0.00263 X(o=-0.0026,f=-0.18) USER MOD Single : A 94 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.9!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc=-0.00801 K(o=-0.008,f=-0.51) USER MOD Single : A 101 ASN : amide:sc= -0.0876 X(o=-0.088,f=0) 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 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -150:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0655 USER MOD Single : A 131 SER OG : rot -160:sc= 0 USER MOD Single : A 144 THR OG1 : rot 10:sc= 0.625 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 8.009 -9.747 3.941 1.00 0.00 N ATOM 17 CA ILE A 22 6.935 -9.122 3.180 1.00 0.00 C ATOM 18 C ILE A 22 7.436 -7.893 2.431 1.00 0.00 C ATOM 19 O ILE A 22 8.266 -7.137 2.939 1.00 0.00 O ATOM 20 CB ILE A 22 5.764 -8.712 4.091 1.00 0.00 C ATOM 21 CG1 ILE A 22 5.130 -9.949 4.732 1.00 0.00 C ATOM 22 CG2 ILE A 22 4.727 -7.929 3.301 1.00 0.00 C ATOM 23 CD1 ILE A 22 4.472 -10.876 3.734 1.00 0.00 C ATOM 0 HA ILE A 22 6.584 -9.864 2.463 1.00 0.00 H new ATOM 0 HB ILE A 22 6.148 -8.071 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.897 -10.500 5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.388 -9.629 5.463 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.905 -7.646 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.186 -7.031 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.345 -8.548 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.044 -11.730 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.682 -10.341 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.215 -11.225 3.017 1.00 0.00 H new ATOM 34 N ASP A 23 6.926 -7.695 1.221 1.00 0.00 N ATOM 35 CA ASP A 23 7.320 -6.555 0.402 1.00 0.00 C ATOM 36 C ASP A 23 6.134 -5.629 0.152 1.00 0.00 C ATOM 37 O ASP A 23 5.026 -6.084 -0.136 1.00 0.00 O ATOM 38 CB ASP A 23 7.899 -7.032 -0.932 1.00 0.00 C ATOM 39 CG ASP A 23 8.827 -6.011 -1.559 1.00 0.00 C ATOM 40 OD1 ASP A 23 8.852 -4.858 -1.078 1.00 0.00 O ATOM 41 OD2 ASP A 23 9.528 -6.363 -2.531 1.00 0.00 O ATOM 0 H ASP A 23 6.238 -8.310 0.785 1.00 0.00 H new ATOM 0 HA ASP A 23 8.085 -5.999 0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.442 -7.964 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.083 -7.249 -1.622 1.00 0.00 H new ATOM 45 N LEU A 24 6.370 -4.327 0.267 1.00 0.00 N ATOM 46 CA LEU A 24 5.321 -3.336 0.057 1.00 0.00 C ATOM 47 C LEU A 24 5.777 -2.260 -0.922 1.00 0.00 C ATOM 48 O LEU A 24 6.278 -1.211 -0.519 1.00 0.00 O ATOM 49 CB LEU A 24 4.922 -2.696 1.387 1.00 0.00 C ATOM 50 CG LEU A 24 3.484 -2.181 1.480 1.00 0.00 C ATOM 51 CD1 LEU A 24 2.497 -3.328 1.330 1.00 0.00 C ATOM 52 CD2 LEU A 24 3.263 -1.451 2.798 1.00 0.00 C ATOM 0 H LEU A 24 7.280 -3.933 0.505 1.00 0.00 H new ATOM 0 HA LEU A 24 4.455 -3.844 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.077 -3.427 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.598 -1.864 1.584 1.00 0.00 H new ATOM 0 HG LEU A 24 3.316 -1.476 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.479 -2.944 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.640 -3.806 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.664 -4.057 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.235 -1.092 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.449 -2.133 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.947 -0.605 2.864 1.00 0.00 H new ATOM 63 N ASN A 25 5.598 -2.526 -2.213 1.00 0.00 N ATOM 64 CA ASN A 25 5.991 -1.579 -3.249 1.00 0.00 C ATOM 65 C ASN A 25 4.943 -0.480 -3.407 1.00 0.00 C ATOM 66 O ASN A 25 3.753 -0.706 -3.185 1.00 0.00 O ATOM 67 CB ASN A 25 6.189 -2.304 -4.583 1.00 0.00 C ATOM 68 CG ASN A 25 7.442 -3.159 -4.593 1.00 0.00 C ATOM 69 OD1 ASN A 25 7.478 -4.166 -3.728 1.00 0.00 O flip ATOM 70 ND2 ASN A 25 8.365 -2.918 -5.370 1.00 0.00 N flip ATOM 0 H ASN A 25 5.184 -3.389 -2.565 1.00 0.00 H new ATOM 0 HA ASN A 25 6.933 -1.120 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.321 -2.932 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.246 -1.571 -5.388 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.294 -2.133 -6.018 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.201 -3.503 -5.366 1.00 0.00 H new ATOM 76 N ILE A 26 5.394 0.708 -3.793 1.00 0.00 N ATOM 77 CA ILE A 26 4.497 1.841 -3.982 1.00 0.00 C ATOM 78 C ILE A 26 4.741 2.518 -5.327 1.00 0.00 C ATOM 79 O ILE A 26 5.878 2.615 -5.789 1.00 0.00 O ATOM 80 CB ILE A 26 4.660 2.883 -2.860 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.638 2.196 -1.492 1.00 0.00 C ATOM 82 CG2 ILE A 26 3.564 3.934 -2.949 1.00 0.00 C ATOM 83 CD1 ILE A 26 4.785 3.157 -0.332 1.00 0.00 C ATOM 0 H ILE A 26 6.376 0.911 -3.981 1.00 0.00 H new ATOM 0 HA ILE A 26 3.482 1.446 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 26 5.622 3.380 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.701 1.649 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.443 1.462 -1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.693 4.663 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.622 4.439 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.591 3.454 -2.849 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.761 2.602 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.734 3.686 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.966 3.876 -0.349 1.00 0.00 H new ATOM 94 N THR A 27 3.665 2.987 -5.952 1.00 0.00 N ATOM 95 CA THR A 27 3.762 3.655 -7.243 1.00 0.00 C ATOM 96 C THR A 27 3.824 5.169 -7.075 1.00 0.00 C ATOM 97 O THR A 27 3.954 5.676 -5.960 1.00 0.00 O ATOM 98 CB THR A 27 2.569 3.299 -8.151 1.00 0.00 C ATOM 99 OG1 THR A 27 2.854 3.674 -9.503 1.00 0.00 O ATOM 100 CG2 THR A 27 1.303 3.999 -7.681 1.00 0.00 C ATOM 0 H THR A 27 2.716 2.916 -5.584 1.00 0.00 H new ATOM 0 HA THR A 27 4.682 3.306 -7.711 1.00 0.00 H new ATOM 0 HB THR A 27 2.410 2.222 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.092 3.443 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.475 3.732 -8.337 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.073 3.689 -6.662 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.453 5.078 -7.707 1.00 0.00 H new ATOM 108 N CYS A 28 3.728 5.888 -8.189 1.00 0.00 N ATOM 109 CA CYS A 28 3.774 7.344 -8.165 1.00 0.00 C ATOM 110 C CYS A 28 2.765 7.904 -7.166 1.00 0.00 C ATOM 111 O CYS A 28 1.915 7.176 -6.653 1.00 0.00 O ATOM 112 CB CYS A 28 3.491 7.906 -9.560 1.00 0.00 C ATOM 113 SG CYS A 28 4.802 7.568 -10.778 1.00 0.00 S ATOM 0 H CYS A 28 3.618 5.485 -9.119 1.00 0.00 H new ATOM 0 HA CYS A 28 4.774 7.646 -7.853 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.554 7.487 -9.926 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.350 8.984 -9.484 1.00 0.00 H new ATOM 117 N ARG A 29 2.867 9.201 -6.895 1.00 0.00 N ATOM 118 CA ARG A 29 1.965 9.859 -5.957 1.00 0.00 C ATOM 119 C ARG A 29 1.008 10.795 -6.688 1.00 0.00 C ATOM 120 O ARG A 29 1.398 11.871 -7.137 1.00 0.00 O ATOM 121 CB ARG A 29 2.764 10.641 -4.912 1.00 0.00 C ATOM 122 CG ARG A 29 1.919 11.151 -3.757 1.00 0.00 C ATOM 123 CD ARG A 29 1.719 10.079 -2.698 1.00 0.00 C ATOM 124 NE ARG A 29 2.990 9.580 -2.175 1.00 0.00 N ATOM 125 CZ ARG A 29 3.792 10.292 -1.394 1.00 0.00 C ATOM 126 NH1 ARG A 29 3.458 11.527 -1.042 1.00 0.00 N ATOM 127 NH2 ARG A 29 4.931 9.769 -0.959 1.00 0.00 N ATOM 0 H ARG A 29 3.565 9.817 -7.312 1.00 0.00 H new ATOM 0 HA ARG A 29 1.379 9.090 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.555 10.002 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.250 11.487 -5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.400 12.021 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.949 11.480 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.125 10.485 -1.879 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.152 9.251 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 29 3.276 8.633 -2.424 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.582 11.932 -1.372 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.077 12.071 -0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.190 8.819 -1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.547 10.317 -0.359 1.00 0.00 H new ATOM 138 N PHE A 30 -0.248 10.375 -6.802 1.00 0.00 N ATOM 139 CA PHE A 30 -1.262 11.175 -7.480 1.00 0.00 C ATOM 140 C PHE A 30 -1.857 12.214 -6.534 1.00 0.00 C ATOM 141 O PHE A 30 -2.796 11.929 -5.792 1.00 0.00 O ATOM 142 CB PHE A 30 -2.370 10.273 -8.028 1.00 0.00 C ATOM 143 CG PHE A 30 -1.929 9.405 -9.170 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.017 8.382 -8.969 1.00 0.00 C ATOM 145 CD2 PHE A 30 -2.424 9.614 -10.448 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.607 7.582 -10.019 1.00 0.00 C ATOM 147 CE2 PHE A 30 -2.020 8.815 -11.502 1.00 0.00 C ATOM 148 CZ PHE A 30 -1.109 7.800 -11.287 1.00 0.00 C ATOM 0 H PHE A 30 -0.588 9.486 -6.434 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.784 11.697 -8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.742 9.639 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.204 10.894 -8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.621 8.207 -7.979 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.133 10.410 -10.622 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.105 6.788 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.417 8.985 -12.492 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.789 7.177 -12.109 1.00 0.00 H new ATOM 157 N ALA A 31 -1.301 13.421 -6.567 1.00 0.00 N ATOM 158 CA ALA A 31 -1.777 14.504 -5.715 1.00 0.00 C ATOM 159 C ALA A 31 -1.835 14.068 -4.254 1.00 0.00 C ATOM 160 O ALA A 31 -2.762 14.423 -3.528 1.00 0.00 O ATOM 161 CB ALA A 31 -3.143 14.982 -6.181 1.00 0.00 C ATOM 0 H ALA A 31 -0.521 13.673 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.071 15.331 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.485 15.791 -5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.072 15.343 -7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.853 14.156 -6.135 1.00 0.00 H new ATOM 167 N GLY A 32 -0.841 13.294 -3.831 1.00 0.00 N ATOM 168 CA GLY A 32 -0.799 12.822 -2.459 1.00 0.00 C ATOM 169 C GLY A 32 -1.441 11.459 -2.297 1.00 0.00 C ATOM 170 O GLY A 32 -1.116 10.717 -1.370 1.00 0.00 O ATOM 0 H GLY A 32 -0.063 12.985 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.238 12.774 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.308 13.539 -1.815 1.00 0.00 H new ATOM 174 N VAL A 33 -2.360 11.128 -3.200 1.00 0.00 N ATOM 175 CA VAL A 33 -3.052 9.845 -3.152 1.00 0.00 C ATOM 176 C VAL A 33 -2.271 8.772 -3.901 1.00 0.00 C ATOM 177 O VAL A 33 -1.806 8.992 -5.020 1.00 0.00 O ATOM 178 CB VAL A 33 -4.467 9.947 -3.751 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.250 8.668 -3.492 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.199 11.154 -3.185 1.00 0.00 C ATOM 0 H VAL A 33 -2.642 11.731 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.130 9.567 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.378 10.078 -4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.247 8.758 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.732 7.825 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.332 8.503 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.197 11.211 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.279 11.056 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.646 12.061 -3.427 1.00 0.00 H new ATOM 190 N PHE A 34 -2.129 7.606 -3.278 1.00 0.00 N ATOM 191 CA PHE A 34 -1.403 6.497 -3.886 1.00 0.00 C ATOM 192 C PHE A 34 -1.947 5.158 -3.398 1.00 0.00 C ATOM 193 O PHE A 34 -2.610 5.086 -2.361 1.00 0.00 O ATOM 194 CB PHE A 34 0.090 6.600 -3.567 1.00 0.00 C ATOM 195 CG PHE A 34 0.393 6.554 -2.096 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.179 7.664 -1.295 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.893 5.399 -1.515 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.456 7.625 0.058 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.172 5.354 -0.162 1.00 0.00 C ATOM 200 CZ PHE A 34 0.954 6.467 0.625 1.00 0.00 C ATOM 0 H PHE A 34 -2.507 7.405 -2.352 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.541 6.554 -4.966 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.617 5.785 -4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.479 7.530 -3.981 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.209 8.571 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.066 4.525 -2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.284 8.497 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.561 4.448 0.279 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.172 6.433 1.682 1.00 0.00 H new ATOM 209 N HIS A 35 -1.662 4.100 -4.151 1.00 0.00 N ATOM 210 CA HIS A 35 -2.124 2.762 -3.795 1.00 0.00 C ATOM 211 C HIS A 35 -0.958 1.890 -3.338 1.00 0.00 C ATOM 212 O HIS A 35 0.117 1.909 -3.937 1.00 0.00 O ATOM 213 CB HIS A 35 -2.828 2.110 -4.984 1.00 0.00 C ATOM 214 CG HIS A 35 -1.886 1.520 -5.988 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.234 0.334 -6.002 1.00 0.00 N flip ATOM 216 CD2 HIS A 35 -1.518 2.172 -7.148 1.00 0.00 C flip ATOM 217 CE1 HIS A 35 -0.493 0.290 -7.158 1.00 0.00 C flip ATOM 218 NE2 HIS A 35 -0.682 1.410 -7.831 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.114 4.143 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.831 2.855 -2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.492 1.327 -4.618 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.453 2.854 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.860 3.151 -7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.141 -0.528 -7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.255 1.647 -8.727 1.00 0.00 H new ATOM 225 N VAL A 36 -1.180 1.128 -2.271 1.00 0.00 N ATOM 226 CA VAL A 36 -0.148 0.249 -1.734 1.00 0.00 C ATOM 227 C VAL A 36 -0.200 -1.126 -2.391 1.00 0.00 C ATOM 228 O VAL A 36 -1.252 -1.762 -2.437 1.00 0.00 O ATOM 229 CB VAL A 36 -0.291 0.082 -0.208 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.835 -0.777 0.343 1.00 0.00 C ATOM 231 CG2 VAL A 36 -0.320 1.441 0.475 1.00 0.00 C ATOM 0 H VAL A 36 -2.064 1.102 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 36 0.812 0.717 -1.953 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.234 -0.423 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.717 -0.884 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.804 -1.761 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.793 -0.303 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.421 1.305 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.606 1.975 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.166 2.018 0.101 1.00 0.00 H new ATOM 241 N GLU A 37 0.943 -1.578 -2.898 1.00 0.00 N ATOM 242 CA GLU A 37 1.027 -2.878 -3.553 1.00 0.00 C ATOM 243 C GLU A 37 2.001 -3.794 -2.819 1.00 0.00 C ATOM 244 O GLU A 37 3.217 -3.628 -2.910 1.00 0.00 O ATOM 245 CB GLU A 37 1.465 -2.711 -5.009 1.00 0.00 C ATOM 246 CG GLU A 37 1.295 -3.969 -5.844 1.00 0.00 C ATOM 247 CD GLU A 37 2.607 -4.688 -6.091 1.00 0.00 C ATOM 248 OE1 GLU A 37 3.633 -4.002 -6.279 1.00 0.00 O ATOM 249 OE2 GLU A 37 2.608 -5.937 -6.096 1.00 0.00 O ATOM 0 H GLU A 37 1.823 -1.063 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 37 0.038 -3.335 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.890 -1.904 -5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.512 -2.408 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.604 -4.645 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.843 -3.707 -6.801 1.00 0.00 H new ATOM 254 N LYS A 38 1.457 -4.764 -2.091 1.00 0.00 N ATOM 255 CA LYS A 38 2.273 -5.710 -1.341 1.00 0.00 C ATOM 256 C LYS A 38 2.823 -6.800 -2.256 1.00 0.00 C ATOM 257 O LYS A 38 2.615 -6.768 -3.469 1.00 0.00 O ATOM 258 CB LYS A 38 1.456 -6.340 -0.211 1.00 0.00 C ATOM 259 CG LYS A 38 2.251 -6.568 1.061 1.00 0.00 C ATOM 260 CD LYS A 38 1.390 -6.377 2.299 1.00 0.00 C ATOM 261 CE LYS A 38 1.231 -7.676 3.074 1.00 0.00 C ATOM 262 NZ LYS A 38 -0.176 -7.892 3.513 1.00 0.00 N ATOM 0 H LYS A 38 0.452 -4.915 -2.005 1.00 0.00 H new ATOM 0 HA LYS A 38 3.113 -5.164 -0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.605 -5.696 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.053 -7.293 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.665 -7.576 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.094 -5.878 1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.839 -5.621 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.408 -6.004 2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.549 -8.512 2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.885 -7.661 3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.242 -8.788 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.472 -7.108 4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.797 -7.932 2.680 1.00 0.00 H new ATOM 272 N ASN A 39 3.522 -7.764 -1.667 1.00 0.00 N ATOM 273 CA ASN A 39 4.099 -8.865 -2.429 1.00 0.00 C ATOM 274 C ASN A 39 3.133 -9.344 -3.510 1.00 0.00 C ATOM 275 O ASN A 39 3.314 -9.055 -4.691 1.00 0.00 O ATOM 276 CB ASN A 39 4.456 -10.026 -1.499 1.00 0.00 C ATOM 277 CG ASN A 39 5.884 -9.944 -0.996 1.00 0.00 C ATOM 278 OD1 ASN A 39 6.140 -10.068 0.202 1.00 0.00 O ATOM 279 ND2 ASN A 39 6.823 -9.736 -1.911 1.00 0.00 N ATOM 0 H ASN A 39 3.703 -7.805 -0.664 1.00 0.00 H new ATOM 0 HA ASN A 39 5.007 -8.503 -2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.774 -10.030 -0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.313 -10.969 -2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.802 -9.673 -1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.565 -9.639 -2.893 1.00 0.00 H new ATOM 285 N GLY A 40 2.105 -10.077 -3.093 1.00 0.00 N ATOM 286 CA GLY A 40 1.125 -10.584 -4.036 1.00 0.00 C ATOM 287 C GLY A 40 0.165 -9.509 -4.508 1.00 0.00 C ATOM 288 O GLY A 40 0.305 -8.340 -4.150 1.00 0.00 O ATOM 0 H GLY A 40 1.933 -10.329 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.640 -11.010 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.561 -11.392 -3.570 1.00 0.00 H new ATOM 292 N ARG A 41 -0.814 -9.906 -5.316 1.00 0.00 N ATOM 293 CA ARG A 41 -1.799 -8.967 -5.839 1.00 0.00 C ATOM 294 C ARG A 41 -2.548 -8.276 -4.704 1.00 0.00 C ATOM 295 O ARG A 41 -2.244 -8.484 -3.529 1.00 0.00 O ATOM 296 CB ARG A 41 -2.791 -9.692 -6.752 1.00 0.00 C ATOM 297 CG ARG A 41 -2.217 -10.049 -8.113 1.00 0.00 C ATOM 298 CD ARG A 41 -1.649 -11.459 -8.126 1.00 0.00 C ATOM 299 NE ARG A 41 -2.662 -12.461 -7.802 1.00 0.00 N ATOM 300 CZ ARG A 41 -2.472 -13.768 -7.937 1.00 0.00 C ATOM 301 NH1 ARG A 41 -1.314 -14.231 -8.385 1.00 0.00 N ATOM 302 NH2 ARG A 41 -3.442 -14.617 -7.622 1.00 0.00 N ATOM 0 H ARG A 41 -0.946 -10.870 -5.622 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.270 -8.209 -6.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.127 -10.604 -6.258 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.670 -9.063 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.995 -9.962 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.434 -9.338 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.230 -11.672 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.830 -11.527 -7.410 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.565 -12.139 -7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.565 -13.583 -8.627 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.172 -15.236 -8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.335 -14.266 -7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.295 -15.621 -7.726 1.00 0.00 H new ATOM 313 N TYR A 42 -3.527 -7.453 -5.063 1.00 0.00 N ATOM 314 CA TYR A 42 -4.317 -6.727 -4.076 1.00 0.00 C ATOM 315 C TYR A 42 -4.856 -7.675 -3.008 1.00 0.00 C ATOM 316 O TYR A 42 -5.594 -8.612 -3.308 1.00 0.00 O ATOM 317 CB TYR A 42 -5.476 -5.997 -4.756 1.00 0.00 C ATOM 318 CG TYR A 42 -5.052 -5.162 -5.943 1.00 0.00 C ATOM 319 CD1 TYR A 42 -3.895 -4.395 -5.900 1.00 0.00 C ATOM 320 CD2 TYR A 42 -5.810 -5.141 -7.107 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.504 -3.630 -6.981 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.425 -4.380 -8.195 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.273 -3.625 -8.127 1.00 0.00 C ATOM 324 OH TYR A 42 -3.887 -2.867 -9.207 1.00 0.00 O ATOM 0 H TYR A 42 -3.793 -7.272 -6.031 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.668 -5.995 -3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.214 -6.729 -5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.967 -5.353 -4.026 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.290 -4.397 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.714 -5.729 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.602 -3.039 -6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.024 -4.377 -9.094 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.195 -3.294 -10.033 1.00 0.00 H new ATOM 333 N SER A 43 -4.480 -7.422 -1.758 1.00 0.00 N ATOM 334 CA SER A 43 -4.921 -8.253 -0.643 1.00 0.00 C ATOM 335 C SER A 43 -4.811 -7.494 0.677 1.00 0.00 C ATOM 336 O SER A 43 -4.189 -7.968 1.626 1.00 0.00 O ATOM 337 CB SER A 43 -4.092 -9.536 -0.577 1.00 0.00 C ATOM 338 OG SER A 43 -4.828 -10.589 0.021 1.00 0.00 O ATOM 0 H SER A 43 -3.871 -6.648 -1.492 1.00 0.00 H new ATOM 0 HA SER A 43 -5.967 -8.513 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.786 -9.827 -1.582 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.181 -9.355 -0.006 1.00 0.00 H new ATOM 0 HG SER A 43 -4.276 -11.398 0.050 1.00 0.00 H new ATOM 343 N ILE A 44 -5.421 -6.314 0.725 1.00 0.00 N ATOM 344 CA ILE A 44 -5.393 -5.492 1.928 1.00 0.00 C ATOM 345 C ILE A 44 -6.802 -5.255 2.466 1.00 0.00 C ATOM 346 O ILE A 44 -7.754 -5.114 1.699 1.00 0.00 O ATOM 347 CB ILE A 44 -4.724 -4.130 1.663 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.291 -4.331 1.163 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.735 -3.279 2.924 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.963 -3.519 -0.071 1.00 0.00 C ATOM 0 H ILE A 44 -5.939 -5.907 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.810 -6.038 2.669 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.290 -3.608 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.596 -4.064 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.135 -5.388 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.259 -2.320 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.764 -3.113 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.190 -3.794 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.932 -3.711 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.634 -3.802 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.086 -2.458 0.148 1.00 0.00 H new ATOM 361 N SER A 45 -6.925 -5.214 3.787 1.00 0.00 N ATOM 362 CA SER A 45 -8.216 -4.997 4.430 1.00 0.00 C ATOM 363 C SER A 45 -8.311 -3.584 4.998 1.00 0.00 C ATOM 364 O SER A 45 -7.295 -2.943 5.264 1.00 0.00 O ATOM 365 CB SER A 45 -8.435 -6.024 5.543 1.00 0.00 C ATOM 366 OG SER A 45 -9.808 -6.125 5.881 1.00 0.00 O ATOM 0 H SER A 45 -6.146 -5.328 4.435 1.00 0.00 H new ATOM 0 HA SER A 45 -8.994 -5.118 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.064 -6.997 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.860 -5.738 6.424 1.00 0.00 H new ATOM 0 HG SER A 45 -9.922 -6.789 6.593 1.00 0.00 H new ATOM 371 N ARG A 46 -9.538 -3.109 5.181 1.00 0.00 N ATOM 372 CA ARG A 46 -9.766 -1.771 5.717 1.00 0.00 C ATOM 373 C ARG A 46 -9.021 -1.579 7.034 1.00 0.00 C ATOM 374 O ARG A 46 -8.406 -0.538 7.266 1.00 0.00 O ATOM 375 CB ARG A 46 -11.263 -1.532 5.926 1.00 0.00 C ATOM 376 CG ARG A 46 -11.945 -2.615 6.746 1.00 0.00 C ATOM 377 CD ARG A 46 -13.458 -2.458 6.726 1.00 0.00 C ATOM 378 NE ARG A 46 -13.874 -1.114 7.118 1.00 0.00 N ATOM 379 CZ ARG A 46 -13.900 -0.692 8.376 1.00 0.00 C ATOM 380 NH1 ARG A 46 -13.532 -1.502 9.360 1.00 0.00 N ATOM 381 NH2 ARG A 46 -14.291 0.546 8.655 1.00 0.00 N ATOM 0 H ARG A 46 -10.389 -3.629 4.967 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.386 -1.047 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.403 -0.571 6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.750 -1.464 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.674 -3.595 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.587 -2.574 7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.832 -2.676 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.907 -3.188 7.400 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.160 -0.465 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.228 -2.453 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.553 -1.174 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.572 1.174 7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.310 0.869 9.622 1.00 0.00 H new ATOM 392 N THR A 47 -9.081 -2.590 7.895 1.00 0.00 N ATOM 393 CA THR A 47 -8.414 -2.532 9.190 1.00 0.00 C ATOM 394 C THR A 47 -6.906 -2.377 9.025 1.00 0.00 C ATOM 395 O THR A 47 -6.231 -1.832 9.898 1.00 0.00 O ATOM 396 CB THR A 47 -8.700 -3.794 10.027 1.00 0.00 C ATOM 397 OG1 THR A 47 -8.479 -4.967 9.234 1.00 0.00 O ATOM 398 CG2 THR A 47 -10.129 -3.787 10.545 1.00 0.00 C ATOM 0 H THR A 47 -9.585 -3.459 7.719 1.00 0.00 H new ATOM 0 HA THR A 47 -8.812 -1.661 9.711 1.00 0.00 H new ATOM 0 HB THR A 47 -8.022 -3.800 10.880 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.661 -5.765 9.773 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.307 -4.687 11.133 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.285 -2.908 11.171 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.821 -3.760 9.703 1.00 0.00 H new ATOM 406 N GLU A 48 -6.387 -2.858 7.901 1.00 0.00 N ATOM 407 CA GLU A 48 -4.956 -2.770 7.623 1.00 0.00 C ATOM 408 C GLU A 48 -4.627 -1.486 6.867 1.00 0.00 C ATOM 409 O GLU A 48 -3.497 -1.001 6.909 1.00 0.00 O ATOM 410 CB GLU A 48 -4.498 -3.985 6.814 1.00 0.00 C ATOM 411 CG GLU A 48 -2.992 -4.193 6.831 1.00 0.00 C ATOM 412 CD GLU A 48 -2.597 -5.624 6.517 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.143 -6.190 5.547 1.00 0.00 O ATOM 414 OE2 GLU A 48 -1.743 -6.176 7.241 1.00 0.00 O ATOM 0 H GLU A 48 -6.933 -3.312 7.169 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.425 -2.755 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.984 -4.878 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.829 -3.870 5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.528 -3.525 6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.602 -3.919 7.811 1.00 0.00 H new ATOM 419 N ALA A 49 -5.622 -0.943 6.174 1.00 0.00 N ATOM 420 CA ALA A 49 -5.440 0.285 5.409 1.00 0.00 C ATOM 421 C ALA A 49 -4.820 1.381 6.269 1.00 0.00 C ATOM 422 O ALA A 49 -3.799 1.964 5.908 1.00 0.00 O ATOM 423 CB ALA A 49 -6.768 0.751 4.832 1.00 0.00 C ATOM 0 H ALA A 49 -6.563 -1.334 6.126 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.755 0.073 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.616 1.669 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.170 -0.020 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.471 0.939 5.643 1.00 0.00 H new ATOM 429 N ALA A 50 -5.447 1.656 7.409 1.00 0.00 N ATOM 430 CA ALA A 50 -4.956 2.681 8.321 1.00 0.00 C ATOM 431 C ALA A 50 -3.478 2.479 8.632 1.00 0.00 C ATOM 432 O ALA A 50 -2.658 3.367 8.405 1.00 0.00 O ATOM 433 CB ALA A 50 -5.773 2.679 9.605 1.00 0.00 C ATOM 0 H ALA A 50 -6.295 1.183 7.722 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.067 3.649 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.396 3.449 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.818 2.881 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.691 1.705 10.087 1.00 0.00 H new ATOM 439 N ASP A 51 -3.144 1.303 9.154 1.00 0.00 N ATOM 440 CA ASP A 51 -1.763 0.983 9.496 1.00 0.00 C ATOM 441 C ASP A 51 -0.836 1.246 8.314 1.00 0.00 C ATOM 442 O ASP A 51 0.209 1.884 8.461 1.00 0.00 O ATOM 443 CB ASP A 51 -1.650 -0.478 9.934 1.00 0.00 C ATOM 444 CG ASP A 51 -0.330 -0.777 10.618 1.00 0.00 C ATOM 445 OD1 ASP A 51 0.345 0.183 11.051 1.00 0.00 O ATOM 446 OD2 ASP A 51 0.031 -1.968 10.721 1.00 0.00 O ATOM 0 H ASP A 51 -3.811 0.556 9.349 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.460 1.626 10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.469 -0.715 10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.760 -1.125 9.063 1.00 0.00 H new ATOM 450 N LEU A 52 -1.221 0.750 7.144 1.00 0.00 N ATOM 451 CA LEU A 52 -0.424 0.930 5.936 1.00 0.00 C ATOM 452 C LEU A 52 -0.095 2.404 5.715 1.00 0.00 C ATOM 453 O LEU A 52 1.062 2.768 5.500 1.00 0.00 O ATOM 454 CB LEU A 52 -1.169 0.375 4.721 1.00 0.00 C ATOM 455 CG LEU A 52 -0.413 -0.657 3.884 1.00 0.00 C ATOM 456 CD1 LEU A 52 0.025 -1.829 4.750 1.00 0.00 C ATOM 457 CD2 LEU A 52 -1.276 -1.141 2.727 1.00 0.00 C ATOM 0 H LEU A 52 -2.081 0.219 7.006 1.00 0.00 H new ATOM 0 HA LEU A 52 0.510 0.383 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.099 -0.077 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.441 1.209 4.074 1.00 0.00 H new ATOM 0 HG LEU A 52 0.478 -0.181 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.562 -2.554 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.680 -1.470 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.852 -2.304 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.722 -1.875 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.185 -1.599 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.540 -0.296 2.092 1.00 0.00 H new ATOM 468 N CYS A 53 -1.119 3.248 5.771 1.00 0.00 N ATOM 469 CA CYS A 53 -0.941 4.682 5.580 1.00 0.00 C ATOM 470 C CYS A 53 0.034 5.252 6.607 1.00 0.00 C ATOM 471 O CYS A 53 0.926 6.028 6.268 1.00 0.00 O ATOM 472 CB CYS A 53 -2.286 5.404 5.683 1.00 0.00 C ATOM 473 SG CYS A 53 -3.569 4.748 4.569 1.00 0.00 S ATOM 0 H CYS A 53 -2.082 2.963 5.947 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.527 4.840 4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.644 5.338 6.710 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.136 6.461 5.465 1.00 0.00 H new ATOM 477 N LYS A 54 -0.143 4.859 7.864 1.00 0.00 N ATOM 478 CA LYS A 54 0.720 5.325 8.941 1.00 0.00 C ATOM 479 C LYS A 54 2.163 4.883 8.713 1.00 0.00 C ATOM 480 O LYS A 54 3.102 5.569 9.113 1.00 0.00 O ATOM 481 CB LYS A 54 0.220 4.800 10.288 1.00 0.00 C ATOM 482 CG LYS A 54 0.823 5.517 11.484 1.00 0.00 C ATOM 483 CD LYS A 54 0.308 4.947 12.795 1.00 0.00 C ATOM 484 CE LYS A 54 1.293 5.185 13.930 1.00 0.00 C ATOM 485 NZ LYS A 54 2.511 4.339 13.796 1.00 0.00 N ATOM 0 H LYS A 54 -0.878 4.218 8.161 1.00 0.00 H new ATOM 0 HA LYS A 54 0.690 6.415 8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.865 4.898 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.447 3.736 10.361 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.909 5.431 11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.585 6.579 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.650 5.405 13.041 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.131 3.877 12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.581 6.236 13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.807 4.973 14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.996 4.280 14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.238 3.384 13.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.151 4.761 13.093 1.00 0.00 H new ATOM 495 N ALA A 55 2.328 3.731 8.070 1.00 0.00 N ATOM 496 CA ALA A 55 3.655 3.200 7.788 1.00 0.00 C ATOM 497 C ALA A 55 4.364 4.028 6.721 1.00 0.00 C ATOM 498 O ALA A 55 5.552 3.841 6.463 1.00 0.00 O ATOM 499 CB ALA A 55 3.559 1.746 7.350 1.00 0.00 C ATOM 0 H ALA A 55 1.560 3.149 7.735 1.00 0.00 H new ATOM 0 HA ALA A 55 4.243 3.256 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.558 1.362 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.101 1.156 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.949 1.677 6.449 1.00 0.00 H new ATOM 505 N PHE A 56 3.626 4.947 6.106 1.00 0.00 N ATOM 506 CA PHE A 56 4.183 5.804 5.066 1.00 0.00 C ATOM 507 C PHE A 56 3.920 7.276 5.375 1.00 0.00 C ATOM 508 O PHE A 56 3.599 8.060 4.484 1.00 0.00 O ATOM 509 CB PHE A 56 3.588 5.443 3.704 1.00 0.00 C ATOM 510 CG PHE A 56 3.934 4.054 3.247 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.238 3.592 3.321 1.00 0.00 C ATOM 512 CD2 PHE A 56 2.954 3.212 2.747 1.00 0.00 C ATOM 513 CE1 PHE A 56 5.558 2.314 2.902 1.00 0.00 C ATOM 514 CE2 PHE A 56 3.270 1.934 2.326 1.00 0.00 C ATOM 515 CZ PHE A 56 4.573 1.484 2.404 1.00 0.00 C ATOM 0 H PHE A 56 2.641 5.117 6.310 1.00 0.00 H new ATOM 0 HA PHE A 56 5.261 5.644 5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.504 5.541 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.940 6.159 2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.012 4.237 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.933 3.558 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.578 1.965 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.498 1.287 1.936 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.821 0.485 2.076 1.00 0.00 H new ATOM 524 N ASN A 57 4.058 7.641 6.645 1.00 0.00 N ATOM 525 CA ASN A 57 3.835 9.017 7.074 1.00 0.00 C ATOM 526 C ASN A 57 2.632 9.622 6.354 1.00 0.00 C ATOM 527 O ASN A 57 2.653 10.789 5.964 1.00 0.00 O ATOM 528 CB ASN A 57 5.081 9.864 6.809 1.00 0.00 C ATOM 529 CG ASN A 57 5.389 9.994 5.330 1.00 0.00 C ATOM 530 OD1 ASN A 57 5.927 9.074 4.713 1.00 0.00 O ATOM 531 ND2 ASN A 57 5.048 11.140 4.752 1.00 0.00 N ATOM 0 H ASN A 57 4.323 7.003 7.395 1.00 0.00 H new ATOM 0 HA ASN A 57 3.630 9.010 8.145 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.940 10.857 7.236 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.935 9.417 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.230 11.284 3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.604 11.876 5.301 1.00 0.00 H new ATOM 537 N SER A 58 1.588 8.819 6.182 1.00 0.00 N ATOM 538 CA SER A 58 0.377 9.274 5.508 1.00 0.00 C ATOM 539 C SER A 58 -0.867 8.699 6.178 1.00 0.00 C ATOM 540 O SER A 58 -0.773 7.880 7.092 1.00 0.00 O ATOM 541 CB SER A 58 0.408 8.868 4.032 1.00 0.00 C ATOM 542 OG SER A 58 1.602 9.309 3.407 1.00 0.00 O ATOM 0 H SER A 58 1.556 7.850 6.500 1.00 0.00 H new ATOM 0 HA SER A 58 0.337 10.361 5.579 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.329 7.784 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.454 9.292 3.517 1.00 0.00 H new ATOM 0 HG SER A 58 2.312 8.650 3.557 1.00 0.00 H new ATOM 547 N THR A 59 -2.034 9.136 5.717 1.00 0.00 N ATOM 548 CA THR A 59 -3.300 8.669 6.271 1.00 0.00 C ATOM 549 C THR A 59 -4.239 8.190 5.171 1.00 0.00 C ATOM 550 O THR A 59 -3.843 8.067 4.012 1.00 0.00 O ATOM 551 CB THR A 59 -3.999 9.774 7.084 1.00 0.00 C ATOM 552 OG1 THR A 59 -3.150 10.923 7.182 1.00 0.00 O ATOM 553 CG2 THR A 59 -4.353 9.279 8.479 1.00 0.00 C ATOM 0 H THR A 59 -2.130 9.813 4.960 1.00 0.00 H new ATOM 0 HA THR A 59 -3.067 7.835 6.933 1.00 0.00 H new ATOM 0 HB THR A 59 -4.919 10.046 6.567 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.603 11.621 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.846 10.077 9.034 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.023 8.423 8.402 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.444 8.982 9.001 1.00 0.00 H new ATOM 561 N LEU A 60 -5.487 7.922 5.540 1.00 0.00 N ATOM 562 CA LEU A 60 -6.484 7.457 4.583 1.00 0.00 C ATOM 563 C LEU A 60 -7.125 8.632 3.849 1.00 0.00 C ATOM 564 O LEU A 60 -7.263 9.731 4.390 1.00 0.00 O ATOM 565 CB LEU A 60 -7.562 6.639 5.297 1.00 0.00 C ATOM 566 CG LEU A 60 -7.101 5.320 5.918 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.827 5.066 7.231 1.00 0.00 C ATOM 568 CD2 LEU A 60 -7.324 4.166 4.951 1.00 0.00 C ATOM 0 H LEU A 60 -5.832 8.019 6.495 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.981 6.825 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.997 7.256 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.358 6.424 4.584 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.033 5.392 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.486 4.123 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.615 5.878 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.901 5.015 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.990 3.236 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.385 4.092 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.757 4.343 4.037 1.00 0.00 H new ATOM 579 N PRO A 61 -7.526 8.397 2.592 1.00 0.00 N ATOM 580 CA PRO A 61 -8.161 9.424 1.760 1.00 0.00 C ATOM 581 C PRO A 61 -9.562 9.779 2.245 1.00 0.00 C ATOM 582 O PRO A 61 -10.013 9.295 3.284 1.00 0.00 O ATOM 583 CB PRO A 61 -8.223 8.769 0.377 1.00 0.00 C ATOM 584 CG PRO A 61 -8.227 7.305 0.651 1.00 0.00 C ATOM 585 CD PRO A 61 -7.393 7.113 1.886 1.00 0.00 C ATOM 0 HA PRO A 61 -7.609 10.363 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.119 9.073 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.368 9.055 -0.235 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.242 6.940 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.812 6.749 -0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.757 6.283 2.491 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.354 6.896 1.639 1.00 0.00 H new ATOM 590 N THR A 62 -10.248 10.627 1.486 1.00 0.00 N ATOM 591 CA THR A 62 -11.599 11.048 1.839 1.00 0.00 C ATOM 592 C THR A 62 -12.575 10.776 0.700 1.00 0.00 C ATOM 593 O THR A 62 -12.225 10.135 -0.290 1.00 0.00 O ATOM 594 CB THR A 62 -11.646 12.546 2.192 1.00 0.00 C ATOM 595 OG1 THR A 62 -11.420 13.334 1.019 1.00 0.00 O ATOM 596 CG2 THR A 62 -10.603 12.886 3.247 1.00 0.00 C ATOM 0 H THR A 62 -9.891 11.036 0.623 1.00 0.00 H new ATOM 0 HA THR A 62 -11.893 10.466 2.713 1.00 0.00 H new ATOM 0 HB THR A 62 -12.634 12.771 2.594 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.977 14.172 1.268 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.655 13.949 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.796 12.306 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.610 12.646 2.867 1.00 0.00 H new ATOM 604 N MET A 63 -13.802 11.267 0.848 1.00 0.00 N ATOM 605 CA MET A 63 -14.828 11.077 -0.170 1.00 0.00 C ATOM 606 C MET A 63 -14.620 12.037 -1.337 1.00 0.00 C ATOM 607 O MET A 63 -15.016 11.752 -2.466 1.00 0.00 O ATOM 608 CB MET A 63 -16.218 11.282 0.434 1.00 0.00 C ATOM 609 CG MET A 63 -17.345 10.771 -0.451 1.00 0.00 C ATOM 610 SD MET A 63 -18.893 10.561 0.449 1.00 0.00 S ATOM 611 CE MET A 63 -19.979 10.014 -0.866 1.00 0.00 C ATOM 0 H MET A 63 -14.109 11.799 1.663 1.00 0.00 H new ATOM 0 HA MET A 63 -14.750 10.056 -0.545 1.00 0.00 H new ATOM 0 HB2 MET A 63 -16.265 10.775 1.398 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.370 12.344 0.625 1.00 0.00 H new ATOM 0 HG2 MET A 63 -17.500 11.468 -1.275 1.00 0.00 H new ATOM 0 HG3 MET A 63 -17.053 9.818 -0.891 1.00 0.00 H new ATOM 0 HE1 MET A 63 -20.819 9.465 -0.440 1.00 0.00 H new ATOM 0 HE2 MET A 63 -20.352 10.880 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 63 -19.428 9.364 -1.546 1.00 0.00 H new ATOM 619 N ALA A 64 -13.998 13.177 -1.056 1.00 0.00 N ATOM 620 CA ALA A 64 -13.736 14.179 -2.082 1.00 0.00 C ATOM 621 C ALA A 64 -12.393 13.931 -2.762 1.00 0.00 C ATOM 622 O ALA A 64 -12.283 14.013 -3.984 1.00 0.00 O ATOM 623 CB ALA A 64 -13.775 15.576 -1.480 1.00 0.00 C ATOM 0 H ALA A 64 -13.666 13.430 -0.125 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.517 14.100 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.578 16.313 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.759 15.759 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.016 15.658 -0.702 1.00 0.00 H new ATOM 629 N GLN A 65 -11.378 13.627 -1.961 1.00 0.00 N ATOM 630 CA GLN A 65 -10.041 13.369 -2.486 1.00 0.00 C ATOM 631 C GLN A 65 -10.088 12.336 -3.608 1.00 0.00 C ATOM 632 O GLN A 65 -9.405 12.474 -4.621 1.00 0.00 O ATOM 633 CB GLN A 65 -9.116 12.884 -1.369 1.00 0.00 C ATOM 634 CG GLN A 65 -8.244 13.983 -0.783 1.00 0.00 C ATOM 635 CD GLN A 65 -8.647 14.359 0.628 1.00 0.00 C ATOM 636 OE1 GLN A 65 -9.548 15.172 0.832 1.00 0.00 O ATOM 637 NE2 GLN A 65 -7.980 13.767 1.611 1.00 0.00 N ATOM 0 H GLN A 65 -11.455 13.553 -0.947 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.650 14.302 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.719 12.446 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.476 12.091 -1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.204 13.656 -0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.301 14.865 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.240 13.099 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.207 13.980 2.582 1.00 0.00 H new ATOM 644 N MET A 66 -10.900 11.301 -3.418 1.00 0.00 N ATOM 645 CA MET A 66 -11.036 10.244 -4.416 1.00 0.00 C ATOM 646 C MET A 66 -11.527 10.811 -5.744 1.00 0.00 C ATOM 647 O MET A 66 -10.836 10.725 -6.758 1.00 0.00 O ATOM 648 CB MET A 66 -12.002 9.167 -3.920 1.00 0.00 C ATOM 649 CG MET A 66 -11.453 8.342 -2.767 1.00 0.00 C ATOM 650 SD MET A 66 -10.044 7.326 -3.249 1.00 0.00 S ATOM 651 CE MET A 66 -10.834 6.148 -4.342 1.00 0.00 C ATOM 0 H MET A 66 -11.473 11.171 -2.584 1.00 0.00 H new ATOM 0 HA MET A 66 -10.054 9.797 -4.572 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.932 9.641 -3.606 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.247 8.501 -4.748 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.155 9.009 -1.958 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.242 7.700 -2.377 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.079 5.664 -4.962 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.355 5.395 -3.750 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.549 6.667 -4.980 1.00 0.00 H new ATOM 659 N GLU A 67 -12.723 11.389 -5.730 1.00 0.00 N ATOM 660 CA GLU A 67 -13.305 11.969 -6.934 1.00 0.00 C ATOM 661 C GLU A 67 -12.400 13.055 -7.509 1.00 0.00 C ATOM 662 O GLU A 67 -12.474 13.379 -8.694 1.00 0.00 O ATOM 663 CB GLU A 67 -14.689 12.549 -6.633 1.00 0.00 C ATOM 664 CG GLU A 67 -15.593 11.600 -5.865 1.00 0.00 C ATOM 665 CD GLU A 67 -17.022 11.618 -6.371 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.222 11.437 -7.589 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.940 11.811 -5.547 1.00 0.00 O ATOM 0 H GLU A 67 -13.308 11.468 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.406 11.175 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.571 13.469 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.173 12.818 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.198 10.587 -5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.582 11.869 -4.809 1.00 0.00 H new ATOM 672 N LYS A 68 -11.546 13.614 -6.659 1.00 0.00 N ATOM 673 CA LYS A 68 -10.625 14.664 -7.078 1.00 0.00 C ATOM 674 C LYS A 68 -9.482 14.086 -7.907 1.00 0.00 C ATOM 675 O LYS A 68 -9.170 14.588 -8.987 1.00 0.00 O ATOM 676 CB LYS A 68 -10.063 15.396 -5.857 1.00 0.00 C ATOM 677 CG LYS A 68 -9.670 16.835 -6.140 1.00 0.00 C ATOM 678 CD LYS A 68 -10.888 17.738 -6.236 1.00 0.00 C ATOM 679 CE LYS A 68 -10.499 19.161 -6.604 1.00 0.00 C ATOM 680 NZ LYS A 68 -11.653 20.096 -6.497 1.00 0.00 N ATOM 0 H LYS A 68 -11.472 13.357 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.178 15.372 -7.696 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.807 15.381 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.191 14.855 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.011 17.195 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.107 16.883 -7.072 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.577 17.343 -6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.417 17.739 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.696 19.499 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.110 19.179 -7.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.347 21.056 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.410 19.788 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.009 20.098 -5.520 1.00 0.00 H new ATOM 690 N ALA A 69 -8.864 13.026 -7.396 1.00 0.00 N ATOM 691 CA ALA A 69 -7.758 12.378 -8.092 1.00 0.00 C ATOM 692 C ALA A 69 -8.239 11.692 -9.367 1.00 0.00 C ATOM 693 O ALA A 69 -7.435 11.302 -10.216 1.00 0.00 O ATOM 694 CB ALA A 69 -7.075 11.374 -7.176 1.00 0.00 C ATOM 0 H ALA A 69 -9.110 12.598 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.037 13.146 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.251 10.898 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.689 11.888 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.794 10.616 -6.867 1.00 0.00 H new ATOM 700 N LEU A 70 -9.553 11.547 -9.497 1.00 0.00 N ATOM 701 CA LEU A 70 -10.141 10.908 -10.669 1.00 0.00 C ATOM 702 C LEU A 70 -9.601 11.528 -11.954 1.00 0.00 C ATOM 703 O LEU A 70 -9.122 10.822 -12.841 1.00 0.00 O ATOM 704 CB LEU A 70 -11.665 11.030 -10.630 1.00 0.00 C ATOM 705 CG LEU A 70 -12.410 10.537 -11.871 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.567 9.024 -11.832 1.00 0.00 C ATOM 707 CD2 LEU A 70 -13.769 11.213 -11.982 1.00 0.00 C ATOM 0 H LEU A 70 -10.232 11.864 -8.805 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.868 9.853 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.032 10.475 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.922 12.077 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.824 10.799 -12.752 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.099 8.690 -12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.583 8.557 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.132 8.740 -10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.285 10.850 -12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.363 10.982 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.634 12.292 -12.057 1.00 0.00 H new ATOM 718 N SER A 71 -9.683 12.851 -12.047 1.00 0.00 N ATOM 719 CA SER A 71 -9.204 13.566 -13.225 1.00 0.00 C ATOM 720 C SER A 71 -7.680 13.592 -13.263 1.00 0.00 C ATOM 721 O SER A 71 -7.079 13.945 -14.278 1.00 0.00 O ATOM 722 CB SER A 71 -9.751 14.995 -13.237 1.00 0.00 C ATOM 723 OG SER A 71 -8.984 15.841 -12.397 1.00 0.00 O ATOM 0 H SER A 71 -10.076 13.450 -11.321 1.00 0.00 H new ATOM 0 HA SER A 71 -9.562 13.040 -14.110 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.742 15.383 -14.256 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.790 14.993 -12.906 1.00 0.00 H new ATOM 0 HG SER A 71 -9.352 16.749 -12.423 1.00 0.00 H new ATOM 728 N ILE A 72 -7.061 13.216 -12.149 1.00 0.00 N ATOM 729 CA ILE A 72 -5.605 13.193 -12.054 1.00 0.00 C ATOM 730 C ILE A 72 -5.038 11.888 -12.600 1.00 0.00 C ATOM 731 O ILE A 72 -3.887 11.830 -13.030 1.00 0.00 O ATOM 732 CB ILE A 72 -5.134 13.377 -10.601 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.659 14.698 -10.033 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.614 13.330 -10.528 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.217 14.964 -8.611 1.00 0.00 C ATOM 0 H ILE A 72 -7.544 12.923 -11.300 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.236 14.024 -12.655 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.534 12.561 -9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.322 15.517 -10.669 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.748 14.693 -10.071 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.295 13.462 -9.494 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.262 12.367 -10.897 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.195 14.128 -11.141 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.626 15.917 -8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.577 14.165 -7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.128 15.002 -8.569 1.00 0.00 H new ATOM 746 N GLY A 73 -5.855 10.840 -12.582 1.00 0.00 N ATOM 747 CA GLY A 73 -5.418 9.548 -13.079 1.00 0.00 C ATOM 748 C GLY A 73 -5.501 8.463 -12.024 1.00 0.00 C ATOM 749 O GLY A 73 -4.621 7.605 -11.937 1.00 0.00 O ATOM 0 H GLY A 73 -6.813 10.862 -12.232 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.030 9.265 -13.935 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.391 9.627 -13.434 1.00 0.00 H new ATOM 753 N PHE A 74 -6.556 8.500 -11.218 1.00 0.00 N ATOM 754 CA PHE A 74 -6.747 7.514 -10.162 1.00 0.00 C ATOM 755 C PHE A 74 -7.836 6.516 -10.541 1.00 0.00 C ATOM 756 O PHE A 74 -8.546 5.999 -9.679 1.00 0.00 O ATOM 757 CB PHE A 74 -7.111 8.208 -8.846 1.00 0.00 C ATOM 758 CG PHE A 74 -6.623 7.477 -7.629 1.00 0.00 C ATOM 759 CD1 PHE A 74 -5.286 7.140 -7.497 1.00 0.00 C ATOM 760 CD2 PHE A 74 -7.501 7.130 -6.616 1.00 0.00 C ATOM 761 CE1 PHE A 74 -4.833 6.467 -6.377 1.00 0.00 C ATOM 762 CE2 PHE A 74 -7.055 6.457 -5.493 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.719 6.127 -5.374 1.00 0.00 C ATOM 0 H PHE A 74 -7.293 9.203 -11.276 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.810 6.972 -10.032 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.693 9.215 -8.847 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.194 8.313 -8.787 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.589 7.406 -8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.546 7.388 -6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.788 6.208 -6.287 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.750 6.190 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.368 5.603 -4.497 1.00 0.00 H new ATOM 772 N GLU A 75 -7.961 6.250 -11.836 1.00 0.00 N ATOM 773 CA GLU A 75 -8.966 5.313 -12.331 1.00 0.00 C ATOM 774 C GLU A 75 -8.484 3.872 -12.184 1.00 0.00 C ATOM 775 O GLU A 75 -7.426 3.503 -12.695 1.00 0.00 O ATOM 776 CB GLU A 75 -9.291 5.606 -13.797 1.00 0.00 C ATOM 777 CG GLU A 75 -8.083 5.531 -14.716 1.00 0.00 C ATOM 778 CD GLU A 75 -7.983 4.202 -15.439 1.00 0.00 C ATOM 779 OE1 GLU A 75 -8.684 3.251 -15.033 1.00 0.00 O ATOM 780 OE2 GLU A 75 -7.203 4.113 -16.410 1.00 0.00 O ATOM 0 H GLU A 75 -7.380 6.669 -12.563 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.869 5.440 -11.734 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.044 4.897 -14.142 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.732 6.600 -13.871 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.138 6.336 -15.449 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.177 5.692 -14.133 1.00 0.00 H new ATOM 785 N THR A 76 -9.269 3.061 -11.481 1.00 0.00 N ATOM 786 CA THR A 76 -8.923 1.662 -11.263 1.00 0.00 C ATOM 787 C THR A 76 -10.169 0.785 -11.242 1.00 0.00 C ATOM 788 O THR A 76 -11.259 1.246 -10.899 1.00 0.00 O ATOM 789 CB THR A 76 -8.153 1.472 -9.943 1.00 0.00 C ATOM 790 OG1 THR A 76 -9.051 1.575 -8.833 1.00 0.00 O ATOM 791 CG2 THR A 76 -7.047 2.508 -9.807 1.00 0.00 C ATOM 0 H THR A 76 -10.149 3.349 -11.053 1.00 0.00 H new ATOM 0 HA THR A 76 -8.284 1.362 -12.093 1.00 0.00 H new ATOM 0 HB THR A 76 -7.700 0.481 -9.952 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.562 1.894 -8.045 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.517 2.354 -8.867 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.349 2.406 -10.638 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.481 3.508 -9.819 1.00 0.00 H new ATOM 799 N CYS A 77 -10.002 -0.481 -11.612 1.00 0.00 N ATOM 800 CA CYS A 77 -11.115 -1.423 -11.635 1.00 0.00 C ATOM 801 C CYS A 77 -11.169 -2.233 -10.343 1.00 0.00 C ATOM 802 O CYS A 77 -11.685 -3.350 -10.319 1.00 0.00 O ATOM 803 CB CYS A 77 -10.986 -2.365 -12.835 1.00 0.00 C ATOM 804 SG CYS A 77 -12.581 -2.935 -13.505 1.00 0.00 S ATOM 0 H CYS A 77 -9.107 -0.878 -11.900 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.040 -0.853 -11.725 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.433 -1.857 -13.625 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.396 -3.233 -12.541 1.00 0.00 H new ATOM 808 N ARG A 78 -10.632 -1.661 -9.269 1.00 0.00 N ATOM 809 CA ARG A 78 -10.618 -2.329 -7.974 1.00 0.00 C ATOM 810 C ARG A 78 -11.015 -1.365 -6.860 1.00 0.00 C ATOM 811 O ARG A 78 -10.458 -0.271 -6.745 1.00 0.00 O ATOM 812 CB ARG A 78 -9.232 -2.910 -7.690 1.00 0.00 C ATOM 813 CG ARG A 78 -8.097 -1.936 -7.960 1.00 0.00 C ATOM 814 CD ARG A 78 -7.570 -2.076 -9.380 1.00 0.00 C ATOM 815 NE ARG A 78 -6.256 -1.458 -9.539 1.00 0.00 N ATOM 816 CZ ARG A 78 -5.723 -1.156 -10.717 1.00 0.00 C ATOM 817 NH1 ARG A 78 -6.388 -1.413 -11.834 1.00 0.00 N ATOM 818 NH2 ARG A 78 -4.521 -0.595 -10.780 1.00 0.00 N ATOM 0 H ARG A 78 -10.201 -0.736 -9.271 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.345 -3.141 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.187 -3.228 -6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.088 -3.801 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.445 -0.916 -7.799 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.288 -2.113 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.508 -3.132 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.273 -1.617 -10.075 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.718 -1.247 -8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.312 -1.844 -11.790 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.976 -1.180 -12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.006 -0.395 -9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.113 -0.364 -11.686 1.00 0.00 H new ATOM 829 N TYR A 79 -11.978 -1.775 -6.044 1.00 0.00 N ATOM 830 CA TYR A 79 -12.450 -0.946 -4.941 1.00 0.00 C ATOM 831 C TYR A 79 -11.289 -0.501 -4.057 1.00 0.00 C ATOM 832 O TYR A 79 -10.226 -1.120 -4.051 1.00 0.00 O ATOM 833 CB TYR A 79 -13.477 -1.710 -4.105 1.00 0.00 C ATOM 834 CG TYR A 79 -14.563 -2.366 -4.929 1.00 0.00 C ATOM 835 CD1 TYR A 79 -15.200 -1.672 -5.950 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.950 -3.678 -4.686 1.00 0.00 C ATOM 837 CE1 TYR A 79 -16.192 -2.268 -6.706 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.940 -4.281 -5.438 1.00 0.00 C ATOM 839 CZ TYR A 79 -16.557 -3.572 -6.447 1.00 0.00 C ATOM 840 OH TYR A 79 -17.546 -4.168 -7.197 1.00 0.00 O ATOM 0 H TYR A 79 -12.448 -2.677 -6.125 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.922 -0.059 -5.364 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.963 -2.475 -3.523 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.937 -1.024 -3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.916 -0.651 -6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.469 -4.236 -3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.679 -1.715 -7.496 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.229 -5.302 -5.237 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.682 -5.088 -6.887 1.00 0.00 H new ATOM 849 N GLY A 80 -11.501 0.578 -3.311 1.00 0.00 N ATOM 850 CA GLY A 80 -10.465 1.090 -2.433 1.00 0.00 C ATOM 851 C GLY A 80 -10.971 1.350 -1.029 1.00 0.00 C ATOM 852 O GLY A 80 -12.179 1.380 -0.792 1.00 0.00 O ATOM 0 H GLY A 80 -12.373 1.108 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.642 0.377 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.065 2.015 -2.849 1.00 0.00 H new ATOM 856 N PHE A 81 -10.046 1.539 -0.093 1.00 0.00 N ATOM 857 CA PHE A 81 -10.405 1.794 1.296 1.00 0.00 C ATOM 858 C PHE A 81 -10.024 3.214 1.705 1.00 0.00 C ATOM 859 O PHE A 81 -8.844 3.567 1.735 1.00 0.00 O ATOM 860 CB PHE A 81 -9.717 0.786 2.218 1.00 0.00 C ATOM 861 CG PHE A 81 -10.108 -0.639 1.947 1.00 0.00 C ATOM 862 CD1 PHE A 81 -11.350 -1.116 2.338 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.237 -1.501 1.300 1.00 0.00 C ATOM 864 CE1 PHE A 81 -11.714 -2.426 2.090 1.00 0.00 C ATOM 865 CE2 PHE A 81 -9.596 -2.812 1.048 1.00 0.00 C ATOM 866 CZ PHE A 81 -10.835 -3.276 1.445 1.00 0.00 C ATOM 0 H PHE A 81 -9.042 1.520 -0.272 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.485 1.684 1.390 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.637 0.885 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.957 1.030 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.041 -0.456 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.266 -1.144 0.989 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -12.684 -2.785 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.908 -3.473 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.116 -4.301 1.252 1.00 0.00 H new ATOM 875 N ILE A 82 -11.030 4.024 2.016 1.00 0.00 N ATOM 876 CA ILE A 82 -10.801 5.406 2.422 1.00 0.00 C ATOM 877 C ILE A 82 -11.051 5.588 3.915 1.00 0.00 C ATOM 878 O ILE A 82 -11.186 4.615 4.655 1.00 0.00 O ATOM 879 CB ILE A 82 -11.700 6.379 1.640 1.00 0.00 C ATOM 880 CG1 ILE A 82 -13.154 6.246 2.099 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.585 6.122 0.144 1.00 0.00 C ATOM 882 CD1 ILE A 82 -14.110 7.150 1.352 1.00 0.00 C ATOM 0 H ILE A 82 -12.012 3.748 1.995 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.758 5.631 2.200 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.367 7.398 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.473 5.211 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -13.212 6.471 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.227 6.818 -0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.551 6.263 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.894 5.100 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -15.121 7.002 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.817 8.190 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -14.081 6.911 0.289 1.00 0.00 H new ATOM 893 N GLU A 83 -11.113 6.843 4.350 1.00 0.00 N ATOM 894 CA GLU A 83 -11.347 7.153 5.755 1.00 0.00 C ATOM 895 C GLU A 83 -12.494 6.313 6.313 1.00 0.00 C ATOM 896 O GLU A 83 -12.319 5.569 7.277 1.00 0.00 O ATOM 897 CB GLU A 83 -11.660 8.640 5.927 1.00 0.00 C ATOM 898 CG GLU A 83 -12.036 9.025 7.348 1.00 0.00 C ATOM 899 CD GLU A 83 -10.911 8.778 8.335 1.00 0.00 C ATOM 900 OE1 GLU A 83 -9.749 9.078 7.996 1.00 0.00 O ATOM 901 OE2 GLU A 83 -11.196 8.287 9.449 1.00 0.00 O ATOM 0 H GLU A 83 -11.004 7.661 3.750 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.440 6.914 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.792 9.223 5.620 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.478 8.910 5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.313 10.079 7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.915 8.457 7.654 1.00 0.00 H new ATOM 906 N GLY A 84 -13.665 6.441 5.700 1.00 0.00 N ATOM 907 CA GLY A 84 -14.823 5.689 6.148 1.00 0.00 C ATOM 908 C GLY A 84 -15.766 5.344 5.014 1.00 0.00 C ATOM 909 O GLY A 84 -16.930 5.748 5.018 1.00 0.00 O ATOM 0 H GLY A 84 -13.834 7.052 4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -14.491 4.771 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.360 6.268 6.899 1.00 0.00 H new ATOM 913 N HIS A 85 -15.265 4.594 4.036 1.00 0.00 N ATOM 914 CA HIS A 85 -16.071 4.195 2.888 1.00 0.00 C ATOM 915 C HIS A 85 -15.245 3.372 1.904 1.00 0.00 C ATOM 916 O HIS A 85 -14.096 3.027 2.179 1.00 0.00 O ATOM 917 CB HIS A 85 -16.642 5.428 2.187 1.00 0.00 C ATOM 918 CG HIS A 85 -18.137 5.510 2.241 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.812 6.551 2.842 1.00 0.00 N ATOM 920 CD2 HIS A 85 -19.087 4.673 1.763 1.00 0.00 C ATOM 921 CE1 HIS A 85 -20.113 6.350 2.733 1.00 0.00 C ATOM 922 NE2 HIS A 85 -20.306 5.218 2.082 1.00 0.00 N ATOM 0 H HIS A 85 -14.305 4.251 4.016 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.894 3.578 3.249 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -16.221 6.323 2.644 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.324 5.423 1.144 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.918 3.749 1.230 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.887 7.001 3.112 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -21.214 4.814 1.853 1.00 0.00 H new ATOM 929 N VAL A 86 -15.839 3.060 0.758 1.00 0.00 N ATOM 930 CA VAL A 86 -15.160 2.276 -0.268 1.00 0.00 C ATOM 931 C VAL A 86 -15.650 2.651 -1.662 1.00 0.00 C ATOM 932 O VAL A 86 -16.609 2.071 -2.171 1.00 0.00 O ATOM 933 CB VAL A 86 -15.368 0.765 -0.051 1.00 0.00 C ATOM 934 CG1 VAL A 86 -14.679 -0.031 -1.149 1.00 0.00 C ATOM 935 CG2 VAL A 86 -14.858 0.350 1.320 1.00 0.00 C ATOM 0 H VAL A 86 -16.790 3.338 0.515 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.097 2.504 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.436 0.552 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -14.836 -1.096 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.096 0.248 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -13.610 0.184 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.013 -0.720 1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.794 0.576 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.401 0.897 2.091 1.00 0.00 H new ATOM 945 N VAL A 87 -14.986 3.626 -2.275 1.00 0.00 N ATOM 946 CA VAL A 87 -15.353 4.077 -3.612 1.00 0.00 C ATOM 947 C VAL A 87 -14.393 3.527 -4.661 1.00 0.00 C ATOM 948 O VAL A 87 -13.328 3.006 -4.330 1.00 0.00 O ATOM 949 CB VAL A 87 -15.367 5.614 -3.701 1.00 0.00 C ATOM 950 CG1 VAL A 87 -16.247 6.204 -2.609 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.953 6.166 -3.613 1.00 0.00 C ATOM 0 H VAL A 87 -14.191 4.118 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.356 3.699 -3.809 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.785 5.901 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -16.245 7.291 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -17.266 5.834 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.862 5.910 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.982 7.254 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.506 5.871 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -13.356 5.770 -4.434 1.00 0.00 H new ATOM 961 N ILE A 88 -14.778 3.647 -5.928 1.00 0.00 N ATOM 962 CA ILE A 88 -13.950 3.163 -7.026 1.00 0.00 C ATOM 963 C ILE A 88 -14.103 4.046 -8.260 1.00 0.00 C ATOM 964 O ILE A 88 -14.918 3.782 -9.145 1.00 0.00 O ATOM 965 CB ILE A 88 -14.303 1.711 -7.399 1.00 0.00 C ATOM 966 CG1 ILE A 88 -13.555 1.291 -8.666 1.00 0.00 C ATOM 967 CG2 ILE A 88 -15.806 1.564 -7.591 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.462 -0.208 -8.843 1.00 0.00 C ATOM 0 H ILE A 88 -15.657 4.075 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.916 3.200 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.995 1.056 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.056 1.721 -9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.549 1.709 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.040 0.532 -7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.318 1.828 -6.666 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.137 2.227 -8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.919 -0.433 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.934 -0.643 -7.994 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.465 -0.630 -8.902 1.00 0.00 H new ATOM 979 N PRO A 89 -13.302 5.119 -8.323 1.00 0.00 N ATOM 980 CA PRO A 89 -13.327 6.061 -9.445 1.00 0.00 C ATOM 981 C PRO A 89 -12.774 5.450 -10.728 1.00 0.00 C ATOM 982 O PRO A 89 -11.885 4.598 -10.687 1.00 0.00 O ATOM 983 CB PRO A 89 -12.430 7.205 -8.968 1.00 0.00 C ATOM 984 CG PRO A 89 -11.513 6.579 -7.976 1.00 0.00 C ATOM 985 CD PRO A 89 -12.307 5.495 -7.304 1.00 0.00 C ATOM 0 HA PRO A 89 -14.342 6.372 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.876 7.645 -9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.016 8.005 -8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.630 6.169 -8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.163 7.313 -7.250 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.678 4.650 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.783 5.853 -6.391 1.00 0.00 H new ATOM 990 N ARG A 90 -13.305 5.891 -11.864 1.00 0.00 N ATOM 991 CA ARG A 90 -12.864 5.386 -13.158 1.00 0.00 C ATOM 992 C ARG A 90 -13.036 6.446 -14.242 1.00 0.00 C ATOM 993 O ARG A 90 -13.968 7.249 -14.197 1.00 0.00 O ATOM 994 CB ARG A 90 -13.647 4.127 -13.533 1.00 0.00 C ATOM 995 CG ARG A 90 -12.776 3.007 -14.081 1.00 0.00 C ATOM 996 CD ARG A 90 -13.263 1.644 -13.616 1.00 0.00 C ATOM 997 NE ARG A 90 -14.717 1.526 -13.694 1.00 0.00 N ATOM 998 CZ ARG A 90 -15.422 0.642 -12.996 1.00 0.00 C ATOM 999 NH1 ARG A 90 -14.809 -0.197 -12.173 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -16.742 0.597 -13.122 1.00 0.00 N ATOM 0 H ARG A 90 -14.040 6.596 -11.914 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.806 5.137 -13.081 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.179 3.765 -12.653 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.401 4.386 -14.276 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.778 3.043 -15.170 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.745 3.156 -13.759 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.803 0.867 -14.227 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.940 1.475 -12.589 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.219 2.157 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.794 -0.165 -12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.352 -0.875 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -17.216 1.241 -13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.283 -0.082 -12.586 1.00 0.00 H new ATOM 1011 N ILE A 91 -12.131 6.442 -15.216 1.00 0.00 N ATOM 1012 CA ILE A 91 -12.183 7.403 -16.312 1.00 0.00 C ATOM 1013 C ILE A 91 -12.585 6.726 -17.617 1.00 0.00 C ATOM 1014 O ILE A 91 -13.711 6.879 -18.088 1.00 0.00 O ATOM 1015 CB ILE A 91 -10.828 8.107 -16.506 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -10.433 8.864 -15.237 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -10.890 9.055 -17.695 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -8.948 8.833 -14.951 1.00 0.00 C ATOM 0 H ILE A 91 -11.353 5.784 -15.268 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.934 8.147 -16.046 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.069 7.351 -16.706 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.756 9.901 -15.327 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.967 8.437 -14.388 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.925 9.546 -17.820 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.130 8.492 -18.597 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -11.659 9.807 -17.521 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.742 9.390 -14.037 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.623 7.800 -14.828 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.408 9.287 -15.782 1.00 0.00 H new ATOM 1029 N HIS A 92 -11.654 5.974 -18.198 1.00 0.00 N ATOM 1030 CA HIS A 92 -11.912 5.271 -19.449 1.00 0.00 C ATOM 1031 C HIS A 92 -11.622 3.779 -19.304 1.00 0.00 C ATOM 1032 O HIS A 92 -10.694 3.241 -19.908 1.00 0.00 O ATOM 1033 CB HIS A 92 -11.060 5.860 -20.575 1.00 0.00 C ATOM 1034 CG HIS A 92 -11.662 5.686 -21.935 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -12.911 6.161 -22.271 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -11.177 5.087 -23.047 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -13.170 5.860 -23.532 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -12.133 5.208 -24.025 1.00 0.00 N ATOM 0 H HIS A 92 -10.716 5.837 -17.822 1.00 0.00 H new ATOM 0 HA HIS A 92 -12.966 5.397 -19.697 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.909 6.923 -20.387 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.077 5.390 -20.559 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -10.216 4.604 -23.147 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -14.075 6.105 -24.067 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.055 4.852 -24.978 1.00 0.00 H new ATOM 1045 N PRO A 93 -12.435 3.096 -18.485 1.00 0.00 N ATOM 1046 CA PRO A 93 -12.286 1.658 -18.241 1.00 0.00 C ATOM 1047 C PRO A 93 -12.653 0.821 -19.463 1.00 0.00 C ATOM 1048 O PRO A 93 -12.758 1.342 -20.573 1.00 0.00 O ATOM 1049 CB PRO A 93 -13.265 1.389 -17.096 1.00 0.00 C ATOM 1050 CG PRO A 93 -14.289 2.464 -17.212 1.00 0.00 C ATOM 1051 CD PRO A 93 -13.562 3.674 -17.734 1.00 0.00 C ATOM 0 HA PRO A 93 -11.255 1.389 -18.011 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.717 0.401 -17.185 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.763 1.424 -16.129 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.090 2.168 -17.889 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.748 2.671 -16.246 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.201 4.282 -18.374 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.218 4.317 -16.924 1.00 0.00 H new ATOM 1056 N ASN A 94 -12.846 -0.475 -19.250 1.00 0.00 N ATOM 1057 CA ASN A 94 -13.201 -1.384 -20.334 1.00 0.00 C ATOM 1058 C ASN A 94 -14.584 -1.984 -20.110 1.00 0.00 C ATOM 1059 O ASN A 94 -15.229 -1.723 -19.094 1.00 0.00 O ATOM 1060 CB ASN A 94 -12.161 -2.500 -20.454 1.00 0.00 C ATOM 1061 CG ASN A 94 -11.954 -2.947 -21.888 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -12.487 -2.346 -22.820 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -11.177 -4.008 -22.070 1.00 0.00 N ATOM 0 H ASN A 94 -12.763 -0.921 -18.336 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.219 -0.813 -21.262 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.212 -2.154 -20.044 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.476 -3.353 -19.853 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.001 -4.356 -23.013 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.756 -4.475 -21.267 1.00 0.00 H new ATOM 1069 N SER A 95 -15.036 -2.791 -21.066 1.00 0.00 N ATOM 1070 CA SER A 95 -16.346 -3.427 -20.974 1.00 0.00 C ATOM 1071 C SER A 95 -16.376 -4.448 -19.841 1.00 0.00 C ATOM 1072 O SER A 95 -17.441 -4.929 -19.452 1.00 0.00 O ATOM 1073 CB SER A 95 -16.700 -4.106 -22.299 1.00 0.00 C ATOM 1074 OG SER A 95 -15.743 -5.095 -22.635 1.00 0.00 O ATOM 0 H SER A 95 -14.515 -3.020 -21.912 1.00 0.00 H new ATOM 0 HA SER A 95 -17.084 -2.654 -20.761 1.00 0.00 H new ATOM 0 HB2 SER A 95 -17.688 -4.561 -22.226 1.00 0.00 H new ATOM 0 HB3 SER A 95 -16.751 -3.360 -23.092 1.00 0.00 H new ATOM 0 HG SER A 95 -15.992 -5.516 -23.484 1.00 0.00 H new ATOM 1079 N ILE A 96 -15.199 -4.774 -19.318 1.00 0.00 N ATOM 1080 CA ILE A 96 -15.090 -5.739 -18.229 1.00 0.00 C ATOM 1081 C ILE A 96 -15.331 -5.073 -16.878 1.00 0.00 C ATOM 1082 O ILE A 96 -15.676 -5.733 -15.900 1.00 0.00 O ATOM 1083 CB ILE A 96 -13.708 -6.418 -18.214 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -13.597 -7.373 -17.025 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -12.604 -5.371 -18.165 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -12.773 -8.608 -17.317 1.00 0.00 C ATOM 0 H ILE A 96 -14.309 -4.386 -19.629 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.856 -6.496 -18.401 1.00 0.00 H new ATOM 0 HB ILE A 96 -13.594 -6.996 -19.131 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.154 -6.842 -16.183 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.598 -7.678 -16.719 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.633 -5.866 -18.155 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.674 -4.727 -19.042 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.713 -4.769 -17.263 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -12.737 -9.240 -16.429 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -13.227 -9.162 -18.139 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.761 -8.313 -17.593 1.00 0.00 H new ATOM 1097 N CYS A 97 -15.147 -3.757 -16.833 1.00 0.00 N ATOM 1098 CA CYS A 97 -15.345 -2.998 -15.604 1.00 0.00 C ATOM 1099 C CYS A 97 -16.804 -2.578 -15.453 1.00 0.00 C ATOM 1100 O CYS A 97 -17.259 -1.639 -16.104 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.442 -1.763 -15.591 1.00 0.00 C ATOM 1102 SG CYS A 97 -12.666 -2.141 -15.444 1.00 0.00 S ATOM 0 H CYS A 97 -14.861 -3.194 -17.634 1.00 0.00 H new ATOM 0 HA CYS A 97 -15.082 -3.640 -14.763 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.607 -1.196 -16.507 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.736 -1.120 -14.761 1.00 0.00 H new ATOM 1106 N ALA A 98 -17.530 -3.280 -14.590 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.936 -2.978 -14.352 1.00 0.00 C ATOM 1108 C ALA A 98 -19.704 -2.869 -15.666 1.00 0.00 C ATOM 1109 O ALA A 98 -20.649 -2.088 -15.780 1.00 0.00 O ATOM 1110 CB ALA A 98 -19.072 -1.692 -13.551 1.00 0.00 C ATOM 0 H ALA A 98 -17.168 -4.062 -14.044 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.366 -3.798 -13.777 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -20.127 -1.479 -13.381 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.566 -1.805 -12.592 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.621 -0.869 -14.105 1.00 0.00 H new ATOM 1116 N ALA A 99 -19.293 -3.657 -16.653 1.00 0.00 N ATOM 1117 CA ALA A 99 -19.943 -3.649 -17.957 1.00 0.00 C ATOM 1118 C ALA A 99 -19.745 -2.311 -18.661 1.00 0.00 C ATOM 1119 O ALA A 99 -20.701 -1.708 -19.147 1.00 0.00 O ATOM 1120 CB ALA A 99 -21.426 -3.955 -17.810 1.00 0.00 C ATOM 0 H ALA A 99 -18.513 -4.309 -16.574 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.482 -4.424 -18.569 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -21.899 -3.946 -18.792 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -21.551 -4.938 -17.356 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.892 -3.201 -17.176 1.00 0.00 H new ATOM 1126 N ASN A 100 -18.499 -1.853 -18.713 1.00 0.00 N ATOM 1127 CA ASN A 100 -18.176 -0.585 -19.357 1.00 0.00 C ATOM 1128 C ASN A 100 -18.816 0.582 -18.611 1.00 0.00 C ATOM 1129 O ASN A 100 -19.437 1.454 -19.218 1.00 0.00 O ATOM 1130 CB ASN A 100 -18.646 -0.594 -20.812 1.00 0.00 C ATOM 1131 CG ASN A 100 -17.693 0.144 -21.734 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -17.011 1.080 -21.318 1.00 0.00 O ATOM 1133 ND2 ASN A 100 -17.642 -0.279 -22.991 1.00 0.00 N ATOM 0 H ASN A 100 -17.696 -2.341 -18.317 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.094 -0.459 -19.333 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.749 -1.625 -21.151 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -19.634 -0.137 -20.874 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.018 0.176 -23.657 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.226 -1.059 -23.291 1.00 0.00 H new ATOM 1139 N ASN A 101 -18.658 0.591 -17.291 1.00 0.00 N ATOM 1140 CA ASN A 101 -19.219 1.652 -16.462 1.00 0.00 C ATOM 1141 C ASN A 101 -18.172 2.718 -16.157 1.00 0.00 C ATOM 1142 O ASN A 101 -16.969 2.469 -16.252 1.00 0.00 O ATOM 1143 CB ASN A 101 -19.767 1.070 -15.157 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.064 1.729 -14.729 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -21.137 2.354 -13.671 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -22.097 1.591 -15.553 1.00 0.00 N ATOM 0 H ASN A 101 -18.147 -0.124 -16.773 1.00 0.00 H new ATOM 0 HA ASN A 101 -20.034 2.119 -17.015 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.930 -0.001 -15.280 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.024 1.190 -14.369 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.996 2.012 -15.319 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -21.991 1.064 -16.420 1.00 0.00 H new ATOM 1152 N THR A 102 -18.635 3.909 -15.791 1.00 0.00 N ATOM 1153 CA THR A 102 -17.739 5.013 -15.473 1.00 0.00 C ATOM 1154 C THR A 102 -18.237 5.793 -14.261 1.00 0.00 C ATOM 1155 O THR A 102 -19.355 5.586 -13.794 1.00 0.00 O ATOM 1156 CB THR A 102 -17.591 5.976 -16.665 1.00 0.00 C ATOM 1157 OG1 THR A 102 -17.814 5.275 -17.893 1.00 0.00 O ATOM 1158 CG2 THR A 102 -16.208 6.610 -16.680 1.00 0.00 C ATOM 0 H THR A 102 -19.626 4.133 -15.708 1.00 0.00 H new ATOM 0 HA THR A 102 -16.766 4.577 -15.246 1.00 0.00 H new ATOM 0 HB THR A 102 -18.334 6.766 -16.559 1.00 0.00 H new ATOM 0 HG1 THR A 102 -17.719 5.895 -18.646 1.00 0.00 H new ATOM 0 HG21 THR A 102 -16.127 7.286 -17.531 1.00 0.00 H new ATOM 0 HG22 THR A 102 -16.054 7.168 -15.757 1.00 0.00 H new ATOM 0 HG23 THR A 102 -15.451 5.830 -16.763 1.00 0.00 H new ATOM 1166 N GLY A 103 -17.398 6.695 -13.758 1.00 0.00 N ATOM 1167 CA GLY A 103 -17.773 7.493 -12.606 1.00 0.00 C ATOM 1168 C GLY A 103 -17.078 7.042 -11.337 1.00 0.00 C ATOM 1169 O GLY A 103 -16.002 6.444 -11.388 1.00 0.00 O ATOM 0 H GLY A 103 -16.467 6.886 -14.128 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.530 8.538 -12.798 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.852 7.437 -12.465 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.691 7.329 -10.194 1.00 0.00 N ATOM 1174 CA VAL A 104 -17.125 6.949 -8.905 1.00 0.00 C ATOM 1175 C VAL A 104 -18.100 6.091 -8.108 1.00 0.00 C ATOM 1176 O VAL A 104 -18.715 6.560 -7.150 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.746 8.186 -8.071 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -16.117 7.769 -6.750 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -15.807 9.091 -8.856 1.00 0.00 C ATOM 0 H VAL A 104 -18.581 7.824 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.224 6.372 -9.113 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.655 8.746 -7.852 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.856 8.657 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.826 7.165 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.217 7.185 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.550 9.960 -8.251 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.899 8.543 -9.108 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.299 9.419 -9.772 1.00 0.00 H new ATOM 1189 N TYR A 105 -18.237 4.832 -8.508 1.00 0.00 N ATOM 1190 CA TYR A 105 -19.141 3.908 -7.833 1.00 0.00 C ATOM 1191 C TYR A 105 -18.790 3.790 -6.353 1.00 0.00 C ATOM 1192 O TYR A 105 -17.634 3.566 -5.992 1.00 0.00 O ATOM 1193 CB TYR A 105 -19.082 2.530 -8.494 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.381 1.762 -8.408 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -20.707 1.033 -7.271 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -21.286 1.767 -9.463 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -21.893 0.330 -7.188 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -22.474 1.068 -9.389 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.774 0.350 -8.250 1.00 0.00 C ATOM 1200 OH TYR A 105 -23.957 -0.348 -8.172 1.00 0.00 O ATOM 0 H TYR A 105 -17.733 4.427 -9.297 1.00 0.00 H new ATOM 0 HA TYR A 105 -20.154 4.301 -7.919 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.809 2.650 -9.542 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -18.292 1.944 -8.024 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -20.021 1.016 -6.437 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -21.056 2.328 -10.357 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -22.130 -0.232 -6.297 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -23.165 1.083 -10.219 1.00 0.00 H new ATOM 0 HH TYR A 105 -24.463 -0.228 -9.003 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.798 3.942 -5.499 1.00 0.00 N ATOM 1210 CA ILE A 106 -19.598 3.851 -4.059 1.00 0.00 C ATOM 1211 C ILE A 106 -19.990 2.473 -3.535 1.00 0.00 C ATOM 1212 O ILE A 106 -20.880 1.819 -4.081 1.00 0.00 O ATOM 1213 CB ILE A 106 -20.410 4.922 -3.308 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -19.897 5.072 -1.874 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -21.889 4.566 -3.313 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -19.564 6.498 -1.497 1.00 0.00 C ATOM 0 H ILE A 106 -20.760 4.129 -5.780 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.536 4.018 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.284 5.876 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -20.650 4.689 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.008 4.455 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -22.450 5.333 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -22.245 4.507 -4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -22.033 3.603 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.207 6.528 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -18.788 6.878 -2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -20.457 7.117 -1.590 1.00 0.00 H new ATOM 1227 N LEU A 107 -19.321 2.037 -2.473 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.601 0.737 -1.874 1.00 0.00 C ATOM 1229 C LEU A 107 -19.244 0.733 -0.390 1.00 0.00 C ATOM 1230 O LEU A 107 -18.653 1.685 0.120 1.00 0.00 O ATOM 1231 CB LEU A 107 -18.821 -0.360 -2.599 1.00 0.00 C ATOM 1232 CG LEU A 107 -19.577 -1.104 -3.700 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -18.663 -2.100 -4.396 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -20.798 -1.809 -3.128 1.00 0.00 C ATOM 0 H LEU A 107 -18.581 2.565 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.669 0.542 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.928 0.086 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.485 -1.088 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.915 -0.375 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.219 -2.620 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.820 -1.571 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.294 -2.824 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -21.323 -2.333 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -20.482 -2.526 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -21.465 -1.074 -2.677 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.662 -8.584 0.866 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.271 -8.314 0.522 1.00 0.00 C ATOM 1308 C GLN A 113 -9.171 -7.618 -0.832 1.00 0.00 C ATOM 1309 O GLN A 113 -9.453 -8.216 -1.870 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.467 -9.615 0.501 1.00 0.00 C ATOM 1311 CG GLN A 113 -8.109 -10.131 1.885 1.00 0.00 C ATOM 1312 CD GLN A 113 -9.161 -11.067 2.448 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -9.223 -12.242 2.081 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -9.993 -10.553 3.345 1.00 0.00 N ATOM 0 HA GLN A 113 -8.857 -7.652 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.040 -10.378 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.550 -9.457 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -7.152 -10.651 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.980 -9.286 2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.906 -9.575 3.620 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.720 -11.136 3.760 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.768 -6.352 -0.812 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.634 -5.574 -2.037 1.00 0.00 C ATOM 1323 C TYR A 114 -7.532 -4.527 -1.899 1.00 0.00 C ATOM 1324 O TYR A 114 -6.839 -4.469 -0.884 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.959 -4.893 -2.383 1.00 0.00 C ATOM 1326 CG TYR A 114 -11.039 -5.857 -2.818 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -10.872 -6.654 -3.943 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -12.226 -5.970 -2.104 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -11.858 -7.536 -4.347 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -13.215 -6.850 -2.500 1.00 0.00 C ATOM 1331 CZ TYR A 114 -13.026 -7.631 -3.621 1.00 0.00 C ATOM 1332 OH TYR A 114 -14.010 -8.508 -4.018 1.00 0.00 O ATOM 0 H TYR A 114 -8.529 -5.843 0.039 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.364 -6.257 -2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.309 -4.336 -1.514 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.788 -4.168 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -9.957 -6.584 -4.512 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -12.378 -5.360 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -11.714 -8.147 -5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -14.132 -6.926 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 114 -14.767 -8.453 -3.398 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.378 -3.700 -2.928 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.362 -2.655 -2.923 1.00 0.00 C ATOM 1343 C ASP A 115 -6.669 -1.605 -1.859 1.00 0.00 C ATOM 1344 O ASP A 115 -7.792 -1.520 -1.360 1.00 0.00 O ATOM 1345 CB ASP A 115 -6.273 -1.993 -4.300 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.940 -1.311 -4.530 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -4.037 -1.473 -3.683 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -4.799 -0.613 -5.556 1.00 0.00 O ATOM 0 H ASP A 115 -7.944 -3.734 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.403 -3.116 -2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.431 -2.746 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.074 -1.261 -4.400 1.00 0.00 H new ATOM 1352 N THR A 116 -5.664 -0.806 -1.516 1.00 0.00 N ATOM 1353 CA THR A 116 -5.825 0.237 -0.509 1.00 0.00 C ATOM 1354 C THR A 116 -5.142 1.529 -0.944 1.00 0.00 C ATOM 1355 O THR A 116 -4.000 1.516 -1.401 1.00 0.00 O ATOM 1356 CB THR A 116 -5.251 -0.202 0.851 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.556 0.778 1.850 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.745 -0.396 0.766 1.00 0.00 C ATOM 0 H THR A 116 -4.729 -0.861 -1.921 1.00 0.00 H new ATOM 0 HA THR A 116 -6.895 0.413 -0.403 1.00 0.00 H new ATOM 0 HB THR A 116 -5.708 -1.153 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.853 0.779 2.533 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.363 -0.706 1.739 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.518 -1.163 0.026 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.273 0.542 0.473 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.851 2.644 -0.797 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.314 3.944 -1.176 1.00 0.00 C ATOM 1368 C TYR A 117 -5.035 4.799 0.057 1.00 0.00 C ATOM 1369 O TYR A 117 -5.787 4.769 1.031 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.288 4.672 -2.104 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.788 3.817 -3.247 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -5.928 2.972 -3.937 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.122 3.855 -3.636 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.380 2.191 -4.981 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.583 3.075 -4.679 1.00 0.00 C ATOM 1376 CZ TYR A 117 -7.709 2.245 -5.348 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.165 1.468 -6.389 1.00 0.00 O ATOM 0 H TYR A 117 -6.798 2.672 -0.418 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.374 3.780 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.141 5.020 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.797 5.557 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -4.887 2.925 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.809 4.505 -3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -5.697 1.541 -5.508 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.623 3.115 -4.969 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.001 1.028 -6.127 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.947 5.560 0.008 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.566 6.424 1.118 1.00 0.00 C ATOM 1388 C CYS A 118 -3.188 7.816 0.620 1.00 0.00 C ATOM 1389 O CYS A 118 -2.626 7.968 -0.463 1.00 0.00 O ATOM 1390 CB CYS A 118 -2.395 5.811 1.890 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.818 4.289 2.797 1.00 0.00 S ATOM 0 H CYS A 118 -3.313 5.596 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 118 -4.424 6.517 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.588 5.592 1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -2.014 6.548 2.597 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.501 8.829 1.422 1.00 0.00 N ATOM 1396 CA PHE A 119 -3.195 10.209 1.063 1.00 0.00 C ATOM 1397 C PHE A 119 -2.096 10.773 1.957 1.00 0.00 C ATOM 1398 O PHE A 119 -2.196 10.730 3.182 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.452 11.077 1.170 1.00 0.00 C ATOM 1400 CG PHE A 119 -4.176 12.548 1.050 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.967 13.126 -0.192 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -4.126 13.352 2.176 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.713 14.481 -0.307 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -3.874 14.707 2.067 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.666 15.272 0.824 1.00 0.00 C ATOM 0 H PHE A 119 -3.966 8.720 2.323 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.841 10.220 0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.155 10.782 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.937 10.883 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.003 12.512 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.286 12.916 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.552 14.920 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.840 15.323 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.467 16.330 0.737 1.00 0.00 H new ATOM 1414 N ASN A 120 -1.046 11.300 1.335 1.00 0.00 N ATOM 1415 CA ASN A 120 0.072 11.872 2.075 1.00 0.00 C ATOM 1416 C ASN A 120 -0.044 13.391 2.150 1.00 0.00 C ATOM 1417 O ASN A 120 -0.664 14.019 1.293 1.00 0.00 O ATOM 1418 CB ASN A 120 1.398 11.483 1.415 1.00 0.00 C ATOM 1419 CG ASN A 120 2.597 12.048 2.152 1.00 0.00 C ATOM 1420 OD1 ASN A 120 3.522 12.580 1.538 1.00 0.00 O ATOM 1421 ND2 ASN A 120 2.587 11.930 3.475 1.00 0.00 N ATOM 0 H ASN A 120 -0.947 11.343 0.321 1.00 0.00 H new ATOM 0 HA ASN A 120 0.046 11.474 3.089 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.477 10.397 1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.407 11.840 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 120 3.368 12.288 4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 120 1.798 11.481 3.941 1.00 0.00 H new ATOM 1427 N ALA A 121 0.557 13.975 3.182 1.00 0.00 N ATOM 1428 CA ALA A 121 0.523 15.420 3.369 1.00 0.00 C ATOM 1429 C ALA A 121 1.921 16.019 3.264 1.00 0.00 C ATOM 1430 O ALA A 121 2.193 17.084 3.821 1.00 0.00 O ATOM 1431 CB ALA A 121 -0.103 15.763 4.713 1.00 0.00 C ATOM 0 H ALA A 121 1.073 13.469 3.901 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.088 15.851 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -0.122 16.845 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.121 15.375 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.485 15.314 5.513 1.00 0.00 H new ATOM 1437 N SER A 122 2.804 15.331 2.549 1.00 0.00 N ATOM 1438 CA SER A 122 4.175 15.793 2.375 1.00 0.00 C ATOM 1439 C SER A 122 4.408 16.282 0.949 1.00 0.00 C ATOM 1440 O SER A 122 4.597 17.475 0.712 1.00 0.00 O ATOM 1441 CB SER A 122 5.161 14.673 2.711 1.00 0.00 C ATOM 1442 OG SER A 122 4.702 13.900 3.807 1.00 0.00 O ATOM 0 H SER A 122 2.594 14.450 2.080 1.00 0.00 H new ATOM 0 HA SER A 122 4.339 16.627 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.297 14.031 1.841 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.135 15.101 2.947 1.00 0.00 H new ATOM 0 HG SER A 122 5.458 13.676 4.389 1.00 0.00 H new ATOM 1447 N ALA A 123 4.394 15.350 0.002 1.00 0.00 N ATOM 1448 CA ALA A 123 4.601 15.683 -1.401 1.00 0.00 C ATOM 1449 C ALA A 123 3.608 16.743 -1.866 1.00 0.00 C ATOM 1450 O ALA A 123 2.508 16.875 -1.329 1.00 0.00 O ATOM 1451 CB ALA A 123 4.486 14.435 -2.264 1.00 0.00 C ATOM 0 H ALA A 123 4.241 14.358 0.182 1.00 0.00 H new ATOM 0 HA ALA A 123 5.606 16.092 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.643 14.700 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 123 5.239 13.709 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.493 14.001 -2.145 1.00 0.00 H new ATOM 1457 N PRO A 124 4.002 17.518 -2.889 1.00 0.00 N ATOM 1458 CA PRO A 124 3.160 18.579 -3.447 1.00 0.00 C ATOM 1459 C PRO A 124 1.956 18.026 -4.203 1.00 0.00 C ATOM 1460 O PRO A 124 1.905 16.850 -4.565 1.00 0.00 O ATOM 1461 CB PRO A 124 4.103 19.311 -4.407 1.00 0.00 C ATOM 1462 CG PRO A 124 5.123 18.294 -4.785 1.00 0.00 C ATOM 1463 CD PRO A 124 5.300 17.416 -3.577 1.00 0.00 C ATOM 0 HA PRO A 124 2.740 19.217 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.568 19.680 -5.282 1.00 0.00 H new ATOM 0 HB3 PRO A 124 4.564 20.175 -3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.793 17.712 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 124 6.064 18.769 -5.063 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.527 16.387 -3.857 1.00 0.00 H new ATOM 0 HD3 PRO A 124 6.118 17.762 -2.945 1.00 0.00 H new ATOM 1468 N PRO A 125 0.962 18.894 -4.449 1.00 0.00 N ATOM 1469 CA PRO A 125 -0.260 18.515 -5.164 1.00 0.00 C ATOM 1470 C PRO A 125 -0.004 18.237 -6.642 1.00 0.00 C ATOM 1471 O PRO A 125 -0.317 19.062 -7.500 1.00 0.00 O ATOM 1472 CB PRO A 125 -1.162 19.738 -4.998 1.00 0.00 C ATOM 1473 CG PRO A 125 -0.223 20.877 -4.790 1.00 0.00 C ATOM 1474 CD PRO A 125 0.954 20.310 -4.047 1.00 0.00 C ATOM 0 HA PRO A 125 -0.692 17.594 -4.773 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -1.784 19.894 -5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -1.836 19.621 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 125 0.087 21.307 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.698 21.675 -4.219 1.00 0.00 H new ATOM 0 HD2 PRO A 125 1.882 20.811 -4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.840 20.421 -2.969 1.00 0.00 H new ATOM 1479 N GLU A 126 0.567 17.072 -6.931 1.00 0.00 N ATOM 1480 CA GLU A 126 0.864 16.688 -8.306 1.00 0.00 C ATOM 1481 C GLU A 126 1.447 15.279 -8.364 1.00 0.00 C ATOM 1482 O GLU A 126 1.547 14.596 -7.345 1.00 0.00 O ATOM 1483 CB GLU A 126 1.841 17.682 -8.936 1.00 0.00 C ATOM 1484 CG GLU A 126 3.014 18.037 -8.037 1.00 0.00 C ATOM 1485 CD GLU A 126 3.907 19.106 -8.635 1.00 0.00 C ATOM 1486 OE1 GLU A 126 3.419 20.236 -8.845 1.00 0.00 O ATOM 1487 OE2 GLU A 126 5.093 18.814 -8.895 1.00 0.00 O ATOM 0 H GLU A 126 0.833 16.378 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.069 16.700 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.222 17.263 -9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 126 1.303 18.594 -9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.637 18.381 -7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 126 3.605 17.141 -7.846 1.00 0.00 H new ATOM 1492 N GLU A 127 1.830 14.852 -9.562 1.00 0.00 N ATOM 1493 CA GLU A 127 2.401 13.524 -9.754 1.00 0.00 C ATOM 1494 C GLU A 127 3.843 13.477 -9.260 1.00 0.00 C ATOM 1495 O GLU A 127 4.749 14.010 -9.902 1.00 0.00 O ATOM 1496 CB GLU A 127 2.342 13.126 -11.231 1.00 0.00 C ATOM 1497 CG GLU A 127 2.940 14.164 -12.164 1.00 0.00 C ATOM 1498 CD GLU A 127 3.924 13.565 -13.150 1.00 0.00 C ATOM 1499 OE1 GLU A 127 3.546 12.610 -13.860 1.00 0.00 O ATOM 1500 OE2 GLU A 127 5.072 14.051 -13.212 1.00 0.00 O ATOM 0 H GLU A 127 1.755 15.406 -10.415 1.00 0.00 H new ATOM 0 HA GLU A 127 1.812 12.815 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.869 12.182 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 127 1.303 12.953 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.138 14.659 -12.712 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.443 14.930 -11.574 1.00 0.00 H new ATOM 1505 N ASP A 128 4.051 12.835 -8.115 1.00 0.00 N ATOM 1506 CA ASP A 128 5.383 12.717 -7.533 1.00 0.00 C ATOM 1507 C ASP A 128 5.761 11.253 -7.334 1.00 0.00 C ATOM 1508 O ASP A 128 5.206 10.569 -6.473 1.00 0.00 O ATOM 1509 CB ASP A 128 5.448 13.460 -6.199 1.00 0.00 C ATOM 1510 CG ASP A 128 6.869 13.808 -5.798 1.00 0.00 C ATOM 1511 OD1 ASP A 128 7.776 12.994 -6.068 1.00 0.00 O ATOM 1512 OD2 ASP A 128 7.072 14.894 -5.216 1.00 0.00 O ATOM 0 H ASP A 128 3.313 12.388 -7.571 1.00 0.00 H new ATOM 0 HA ASP A 128 6.096 13.167 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.859 14.374 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.994 12.845 -5.422 1.00 0.00 H new ATOM 1516 N CYS A 129 6.708 10.777 -8.136 1.00 0.00 N ATOM 1517 CA CYS A 129 7.160 9.393 -8.050 1.00 0.00 C ATOM 1518 C CYS A 129 8.476 9.298 -7.282 1.00 0.00 C ATOM 1519 O CYS A 129 8.682 8.377 -6.491 1.00 0.00 O ATOM 1520 CB CYS A 129 7.328 8.801 -9.450 1.00 0.00 C ATOM 1521 SG CYS A 129 5.969 9.201 -10.594 1.00 0.00 S ATOM 0 H CYS A 129 7.178 11.330 -8.853 1.00 0.00 H new ATOM 0 HA CYS A 129 6.404 8.822 -7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 129 8.265 9.161 -9.875 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.412 7.717 -9.367 1.00 0.00 H new ATOM 1525 N THR A 130 9.365 10.257 -7.522 1.00 0.00 N ATOM 1526 CA THR A 130 10.661 10.281 -6.856 1.00 0.00 C ATOM 1527 C THR A 130 10.500 10.392 -5.344 1.00 0.00 C ATOM 1528 O THR A 130 11.300 9.847 -4.583 1.00 0.00 O ATOM 1529 CB THR A 130 11.527 11.454 -7.354 1.00 0.00 C ATOM 1530 OG1 THR A 130 10.689 12.532 -7.786 1.00 0.00 O ATOM 1531 CG2 THR A 130 12.425 11.013 -8.500 1.00 0.00 C ATOM 0 H THR A 130 9.211 11.027 -8.173 1.00 0.00 H new ATOM 0 HA THR A 130 11.158 9.342 -7.099 1.00 0.00 H new ATOM 0 HB THR A 130 12.155 11.791 -6.529 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.247 13.274 -8.099 1.00 0.00 H new ATOM 0 HG21 THR A 130 13.027 11.857 -8.836 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.081 10.211 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.811 10.654 -9.326 1.00 0.00 H new ATOM 1539 N SER A 131 9.459 11.099 -4.913 1.00 0.00 N ATOM 1540 CA SER A 131 9.196 11.282 -3.491 1.00 0.00 C ATOM 1541 C SER A 131 9.257 9.950 -2.751 1.00 0.00 C ATOM 1542 O SER A 131 8.336 9.136 -2.836 1.00 0.00 O ATOM 1543 CB SER A 131 7.825 11.931 -3.284 1.00 0.00 C ATOM 1544 OG SER A 131 7.314 11.644 -1.994 1.00 0.00 O ATOM 0 H SER A 131 8.785 11.554 -5.529 1.00 0.00 H new ATOM 0 HA SER A 131 9.966 11.938 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.907 13.010 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.130 11.570 -4.042 1.00 0.00 H new ATOM 0 HG SER A 131 6.344 11.782 -1.988 1.00 0.00 H new ATOM 1549 N VAL A 132 10.349 9.733 -2.025 1.00 0.00 N ATOM 1550 CA VAL A 132 10.532 8.500 -1.268 1.00 0.00 C ATOM 1551 C VAL A 132 10.533 8.771 0.232 1.00 0.00 C ATOM 1552 O VAL A 132 11.530 8.540 0.916 1.00 0.00 O ATOM 1553 CB VAL A 132 11.845 7.795 -1.652 1.00 0.00 C ATOM 1554 CG1 VAL A 132 11.750 7.211 -3.054 1.00 0.00 C ATOM 1555 CG2 VAL A 132 13.017 8.760 -1.546 1.00 0.00 C ATOM 0 H VAL A 132 11.121 10.395 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 132 9.693 7.849 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 132 12.014 6.974 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 132 12.688 6.717 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 132 10.937 6.486 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.557 8.011 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 132 13.938 8.246 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.857 9.602 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 132 13.097 9.124 -0.522 1.00 0.00 H new ATOM 1565 N THR A 133 9.406 9.263 0.739 1.00 0.00 N ATOM 1566 CA THR A 133 9.277 9.567 2.159 1.00 0.00 C ATOM 1567 C THR A 133 8.893 8.325 2.955 1.00 0.00 C ATOM 1568 O THR A 133 7.879 7.684 2.672 1.00 0.00 O ATOM 1569 CB THR A 133 8.225 10.666 2.406 1.00 0.00 C ATOM 1570 OG1 THR A 133 8.091 10.910 3.810 1.00 0.00 O ATOM 1571 CG2 THR A 133 6.878 10.265 1.823 1.00 0.00 C ATOM 0 H THR A 133 8.571 9.459 0.188 1.00 0.00 H new ATOM 0 HA THR A 133 10.251 9.924 2.495 1.00 0.00 H new ATOM 0 HB THR A 133 8.560 11.578 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 133 7.422 11.610 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 133 6.151 11.056 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 133 6.978 10.110 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.538 9.342 2.293 1.00 0.00 H new ATOM 1579 N ASP A 134 9.707 7.989 3.949 1.00 0.00 N ATOM 1580 CA ASP A 134 9.451 6.823 4.787 1.00 0.00 C ATOM 1581 C ASP A 134 8.572 7.192 5.977 1.00 0.00 C ATOM 1582 O ASP A 134 7.999 8.282 6.026 1.00 0.00 O ATOM 1583 CB ASP A 134 10.769 6.222 5.277 1.00 0.00 C ATOM 1584 CG ASP A 134 11.445 7.083 6.325 1.00 0.00 C ATOM 1585 OD1 ASP A 134 11.113 8.285 6.409 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.305 6.557 7.063 1.00 0.00 O ATOM 0 H ASP A 134 10.550 8.508 4.195 1.00 0.00 H new ATOM 0 HA ASP A 134 8.924 6.082 4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.581 5.231 5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.442 6.091 4.430 1.00 0.00 H new ATOM 1590 N LEU A 135 8.469 6.279 6.937 1.00 0.00 N ATOM 1591 CA LEU A 135 7.658 6.506 8.127 1.00 0.00 C ATOM 1592 C LEU A 135 7.920 7.893 8.706 1.00 0.00 C ATOM 1593 O LEU A 135 8.959 8.508 8.464 1.00 0.00 O ATOM 1594 CB LEU A 135 7.953 5.438 9.182 1.00 0.00 C ATOM 1595 CG LEU A 135 6.943 4.295 9.279 1.00 0.00 C ATOM 1596 CD1 LEU A 135 7.604 2.968 8.938 1.00 0.00 C ATOM 1597 CD2 LEU A 135 6.328 4.243 10.671 1.00 0.00 C ATOM 0 H LEU A 135 8.938 5.374 6.914 1.00 0.00 H new ATOM 0 HA LEU A 135 6.609 6.443 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 135 8.935 5.012 8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 135 8.016 5.925 10.155 1.00 0.00 H new ATOM 0 HG LEU A 135 6.147 4.478 8.557 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.870 2.166 9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 135 7.996 3.008 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 135 8.420 2.778 9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.611 3.423 10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 135 7.113 4.085 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 135 5.818 5.184 10.879 1.00 0.00 H new ATOM 1608 N PRO A 136 6.955 8.399 9.489 1.00 0.00 N ATOM 1609 CA PRO A 136 7.059 9.719 10.121 1.00 0.00 C ATOM 1610 C PRO A 136 8.110 9.751 11.225 1.00 0.00 C ATOM 1611 O PRO A 136 8.575 10.820 11.620 1.00 0.00 O ATOM 1612 CB PRO A 136 5.663 9.944 10.704 1.00 0.00 C ATOM 1613 CG PRO A 136 5.116 8.574 10.919 1.00 0.00 C ATOM 1614 CD PRO A 136 5.691 7.723 9.820 1.00 0.00 C ATOM 0 HA PRO A 136 7.368 10.487 9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 136 5.710 10.503 11.639 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.037 10.518 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.399 8.190 11.899 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.027 8.578 10.881 1.00 0.00 H new ATOM 0 HD2 PRO A 136 5.859 6.698 10.152 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.024 7.674 8.959 1.00 0.00 H new ATOM 1708 N THR A 144 9.675 -4.621 4.593 1.00 0.00 N ATOM 1709 CA THR A 144 10.461 -4.019 3.523 1.00 0.00 C ATOM 1710 C THR A 144 9.562 -3.352 2.489 1.00 0.00 C ATOM 1711 O THR A 144 8.901 -4.027 1.699 1.00 0.00 O ATOM 1712 CB THR A 144 11.344 -5.067 2.818 1.00 0.00 C ATOM 1713 OG1 THR A 144 11.611 -6.159 3.706 1.00 0.00 O ATOM 1714 CG2 THR A 144 12.655 -4.448 2.359 1.00 0.00 C ATOM 0 HA THR A 144 11.100 -3.266 3.985 1.00 0.00 H new ATOM 0 HB THR A 144 10.807 -5.434 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 144 11.053 -6.073 4.507 1.00 0.00 H new ATOM 0 HG21 THR A 144 13.262 -5.206 1.864 1.00 0.00 H new ATOM 0 HG22 THR A 144 12.449 -3.636 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 144 13.195 -4.057 3.222 1.00 0.00 H new ATOM 1722 N ILE A 145 9.541 -2.023 2.500 1.00 0.00 N ATOM 1723 CA ILE A 145 8.724 -1.265 1.561 1.00 0.00 C ATOM 1724 C ILE A 145 9.557 -0.764 0.386 1.00 0.00 C ATOM 1725 O ILE A 145 10.705 -0.354 0.555 1.00 0.00 O ATOM 1726 CB ILE A 145 8.049 -0.062 2.247 1.00 0.00 C ATOM 1727 CG1 ILE A 145 9.103 0.935 2.732 1.00 0.00 C ATOM 1728 CG2 ILE A 145 7.182 -0.531 3.406 1.00 0.00 C ATOM 1729 CD1 ILE A 145 9.157 2.205 1.912 1.00 0.00 C ATOM 0 H ILE A 145 10.080 -1.450 3.149 1.00 0.00 H new ATOM 0 HA ILE A 145 7.954 -1.943 1.194 1.00 0.00 H new ATOM 0 HB ILE A 145 7.410 0.440 1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.897 1.192 3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.082 0.456 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.712 0.330 3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.411 -1.206 3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.801 -1.054 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.926 2.865 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.393 1.960 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.190 2.707 1.955 1.00 0.00 H new ATOM 1740 N THR A 146 8.970 -0.797 -0.806 1.00 0.00 N ATOM 1741 CA THR A 146 9.657 -0.347 -2.010 1.00 0.00 C ATOM 1742 C THR A 146 8.894 0.785 -2.687 1.00 0.00 C ATOM 1743 O THR A 146 7.719 1.013 -2.397 1.00 0.00 O ATOM 1744 CB THR A 146 9.844 -1.499 -3.015 1.00 0.00 C ATOM 1745 OG1 THR A 146 9.785 -2.758 -2.334 1.00 0.00 O ATOM 1746 CG2 THR A 146 11.174 -1.373 -3.743 1.00 0.00 C ATOM 0 H THR A 146 8.019 -1.131 -0.963 1.00 0.00 H new ATOM 0 HA THR A 146 10.637 0.015 -1.698 1.00 0.00 H new ATOM 0 HB THR A 146 9.040 -1.445 -3.749 1.00 0.00 H new ATOM 0 HG1 THR A 146 8.871 -3.109 -2.374 1.00 0.00 H new ATOM 0 HG21 THR A 146 11.283 -2.198 -4.447 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.204 -0.427 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.989 -1.403 -3.020 1.00 0.00 H new ATOM 1754 N ILE A 147 9.567 1.489 -3.590 1.00 0.00 N ATOM 1755 CA ILE A 147 8.951 2.596 -4.310 1.00 0.00 C ATOM 1756 C ILE A 147 9.625 2.816 -5.661 1.00 0.00 C ATOM 1757 O ILE A 147 10.827 2.599 -5.810 1.00 0.00 O ATOM 1758 CB ILE A 147 9.016 3.903 -3.498 1.00 0.00 C ATOM 1759 CG1 ILE A 147 8.286 5.026 -4.236 1.00 0.00 C ATOM 1760 CG2 ILE A 147 10.464 4.290 -3.233 1.00 0.00 C ATOM 1761 CD1 ILE A 147 8.255 6.330 -3.473 1.00 0.00 C ATOM 0 H ILE A 147 10.540 1.312 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 147 7.906 2.327 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 147 8.521 3.743 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 147 8.768 5.190 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 147 7.263 4.710 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 147 10.494 5.216 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 147 10.955 3.497 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 147 10.981 4.435 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 147 7.722 7.080 -4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 147 7.746 6.182 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 147 9.275 6.669 -3.291 1.00 0.00 H new ATOM 1772 N VAL A 148 8.841 3.251 -6.643 1.00 0.00 N ATOM 1773 CA VAL A 148 9.361 3.504 -7.981 1.00 0.00 C ATOM 1774 C VAL A 148 9.442 5.000 -8.266 1.00 0.00 C ATOM 1775 O VAL A 148 8.420 5.667 -8.427 1.00 0.00 O ATOM 1776 CB VAL A 148 8.489 2.834 -9.059 1.00 0.00 C ATOM 1777 CG1 VAL A 148 8.736 1.334 -9.090 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.017 3.134 -8.815 1.00 0.00 C ATOM 0 H VAL A 148 7.843 3.435 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 148 10.363 3.075 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 148 8.765 3.244 -10.031 1.00 0.00 H new ATOM 0 HG11 VAL A 148 8.111 0.878 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 148 9.785 1.143 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 148 8.489 0.904 -8.119 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.415 2.653 -9.586 1.00 0.00 H new ATOM 0 HG22 VAL A 148 6.725 2.753 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.855 4.211 -8.848 1.00 0.00 H new