USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=27 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 58 SER OG : rot 73:sc= 0.51 USER MOD Set 1.2: A 120 ASN : amide:sc= -0.82 K(o=-0.31,f=-6.5!) USER MOD Set 2.1: A 57 ASN :FLIP amide:sc= 0.0242 F(o=-1.6,f=0.26) USER MOD Set 2.2: A 133 THR OG1 : rot 166:sc= 0.232 USER MOD Single : A 25 ASN : amide:sc= -2.98 X(o=-3,f=-2.9!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.36 USER MOD Single : A 35 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.541 K(o=-0.54,f=-5.5!) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.61 USER MOD Single : A 43 SER OG : rot 180:sc= -0.22 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.725 USER MOD Single : A 63 MET CE :methyl -158:sc= -0.297 (180deg=-1.04) USER MOD Single : A 65 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.8) USER MOD Single : A 66 MET CE :methyl -175:sc= -3.13 (180deg=-3.26) 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 76 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.06) USER MOD Single : A 92 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.012) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0041 USER MOD Single : A 100 ASN :FLIP amide:sc= -2.24 F(o=-2.8,f=-2.2) USER MOD Single : A 101 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.5!) 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= -0.405 K(o=-0.4,f=-2.1!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -143:sc= -2.11! USER MOD Single : A 117 TYR OH : rot 103:sc= -0.831 USER MOD Single : A 122 SER OG : rot 130:sc= -2.03! USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= -0.0196 USER MOD Single : A 144 THR OG1 : rot 28:sc= 0.606 USER MOD Single : A 146 THR OG1 : rot 59:sc= -0.349 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 7.251 -9.214 3.963 1.00 0.00 N ATOM 17 CA ILE A 22 6.261 -8.685 3.033 1.00 0.00 C ATOM 18 C ILE A 22 6.767 -7.416 2.355 1.00 0.00 C ATOM 19 O ILE A 22 7.246 -6.495 3.015 1.00 0.00 O ATOM 20 CB ILE A 22 4.929 -8.378 3.743 1.00 0.00 C ATOM 21 CG1 ILE A 22 4.357 -9.649 4.372 1.00 0.00 C ATOM 22 CG2 ILE A 22 3.936 -7.771 2.764 1.00 0.00 C ATOM 23 CD1 ILE A 22 3.973 -10.705 3.359 1.00 0.00 C ATOM 0 HA ILE A 22 6.093 -9.455 2.280 1.00 0.00 H new ATOM 0 HB ILE A 22 5.115 -7.655 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.092 -10.067 5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.479 -9.389 4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.999 -7.559 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.344 -6.845 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.752 -8.473 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.575 -11.578 3.876 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.214 -10.305 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.852 -10.994 2.784 1.00 0.00 H new ATOM 34 N ASP A 23 6.655 -7.376 1.031 1.00 0.00 N ATOM 35 CA ASP A 23 7.099 -6.219 0.261 1.00 0.00 C ATOM 36 C ASP A 23 5.907 -5.384 -0.198 1.00 0.00 C ATOM 37 O ASP A 23 4.985 -5.896 -0.835 1.00 0.00 O ATOM 38 CB ASP A 23 7.918 -6.669 -0.949 1.00 0.00 C ATOM 39 CG ASP A 23 9.282 -6.006 -1.003 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.382 -4.822 -0.620 1.00 0.00 O ATOM 41 OD2 ASP A 23 10.247 -6.672 -1.428 1.00 0.00 O ATOM 0 H ASP A 23 6.261 -8.131 0.469 1.00 0.00 H new ATOM 0 HA ASP A 23 7.726 -5.603 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.044 -7.751 -0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.369 -6.439 -1.862 1.00 0.00 H new ATOM 45 N LEU A 24 5.933 -4.096 0.129 1.00 0.00 N ATOM 46 CA LEU A 24 4.856 -3.189 -0.250 1.00 0.00 C ATOM 47 C LEU A 24 5.332 -2.184 -1.292 1.00 0.00 C ATOM 48 O LEU A 24 5.969 -1.185 -0.961 1.00 0.00 O ATOM 49 CB LEU A 24 4.328 -2.452 0.983 1.00 0.00 C ATOM 50 CG LEU A 24 2.899 -1.916 0.883 1.00 0.00 C ATOM 51 CD1 LEU A 24 1.894 -3.052 0.991 1.00 0.00 C ATOM 52 CD2 LEU A 24 2.644 -0.872 1.961 1.00 0.00 C ATOM 0 H LEU A 24 6.688 -3.657 0.656 1.00 0.00 H new ATOM 0 HA LEU A 24 4.051 -3.781 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.383 -3.128 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.994 -1.616 1.195 1.00 0.00 H new ATOM 0 HG LEU A 24 2.777 -1.441 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.883 -2.651 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.062 -3.764 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.016 -3.556 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.622 -0.502 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.785 -1.322 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.342 -0.044 1.838 1.00 0.00 H new ATOM 63 N ASN A 25 5.014 -2.453 -2.555 1.00 0.00 N ATOM 64 CA ASN A 25 5.408 -1.572 -3.646 1.00 0.00 C ATOM 65 C ASN A 25 4.332 -0.521 -3.912 1.00 0.00 C ATOM 66 O ASN A 25 3.147 -0.761 -3.681 1.00 0.00 O ATOM 67 CB ASN A 25 5.668 -2.383 -4.918 1.00 0.00 C ATOM 68 CG ASN A 25 4.392 -2.692 -5.677 1.00 0.00 C ATOM 69 OD1 ASN A 25 3.934 -1.895 -6.495 1.00 0.00 O ATOM 70 ND2 ASN A 25 3.812 -3.857 -5.408 1.00 0.00 N ATOM 0 H ASN A 25 4.484 -3.275 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 25 6.326 -1.063 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.348 -1.830 -5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.166 -3.316 -4.655 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.951 -4.121 -5.888 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.227 -4.487 -4.722 1.00 0.00 H new ATOM 76 N ILE A 26 4.757 0.642 -4.397 1.00 0.00 N ATOM 77 CA ILE A 26 3.831 1.727 -4.696 1.00 0.00 C ATOM 78 C ILE A 26 4.336 2.578 -5.855 1.00 0.00 C ATOM 79 O ILE A 26 5.540 2.782 -6.012 1.00 0.00 O ATOM 80 CB ILE A 26 3.609 2.630 -3.468 1.00 0.00 C ATOM 81 CG1 ILE A 26 4.934 2.885 -2.748 1.00 0.00 C ATOM 82 CG2 ILE A 26 2.598 1.999 -2.522 1.00 0.00 C ATOM 83 CD1 ILE A 26 4.792 3.728 -1.500 1.00 0.00 C ATOM 0 H ILE A 26 5.735 0.856 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 26 2.883 1.266 -4.975 1.00 0.00 H new ATOM 0 HB ILE A 26 3.212 3.587 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.383 1.928 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.622 3.379 -3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.452 2.649 -1.659 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.649 1.865 -3.041 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.968 1.030 -2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.771 3.868 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.372 4.699 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.130 3.225 -0.795 1.00 0.00 H new ATOM 94 N THR A 27 3.408 3.076 -6.665 1.00 0.00 N ATOM 95 CA THR A 27 3.759 3.907 -7.811 1.00 0.00 C ATOM 96 C THR A 27 3.778 5.383 -7.433 1.00 0.00 C ATOM 97 O THR A 27 3.697 5.735 -6.256 1.00 0.00 O ATOM 98 CB THR A 27 2.774 3.700 -8.977 1.00 0.00 C ATOM 99 OG1 THR A 27 3.321 4.247 -10.183 1.00 0.00 O ATOM 100 CG2 THR A 27 1.435 4.358 -8.678 1.00 0.00 C ATOM 0 H THR A 27 2.407 2.919 -6.549 1.00 0.00 H new ATOM 0 HA THR A 27 4.756 3.603 -8.129 1.00 0.00 H new ATOM 0 HB THR A 27 2.615 2.629 -9.103 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.690 4.110 -10.920 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.756 4.198 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.008 3.920 -7.776 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.581 5.428 -8.528 1.00 0.00 H new ATOM 108 N CYS A 28 3.887 6.245 -8.438 1.00 0.00 N ATOM 109 CA CYS A 28 3.918 7.685 -8.213 1.00 0.00 C ATOM 110 C CYS A 28 2.752 8.122 -7.331 1.00 0.00 C ATOM 111 O CYS A 28 1.830 7.348 -7.075 1.00 0.00 O ATOM 112 CB CYS A 28 3.871 8.433 -9.547 1.00 0.00 C ATOM 113 SG CYS A 28 5.166 7.932 -10.727 1.00 0.00 S ATOM 0 H CYS A 28 3.955 5.971 -9.418 1.00 0.00 H new ATOM 0 HA CYS A 28 4.849 7.928 -7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.895 8.274 -10.006 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.963 9.502 -9.355 1.00 0.00 H new ATOM 117 N ARG A 29 2.801 9.368 -6.870 1.00 0.00 N ATOM 118 CA ARG A 29 1.750 9.908 -6.016 1.00 0.00 C ATOM 119 C ARG A 29 0.816 10.816 -6.811 1.00 0.00 C ATOM 120 O ARG A 29 1.232 11.853 -7.326 1.00 0.00 O ATOM 121 CB ARG A 29 2.361 10.684 -4.848 1.00 0.00 C ATOM 122 CG ARG A 29 2.940 9.794 -3.761 1.00 0.00 C ATOM 123 CD ARG A 29 4.424 9.539 -3.981 1.00 0.00 C ATOM 124 NE ARG A 29 5.254 10.561 -3.347 1.00 0.00 N ATOM 125 CZ ARG A 29 5.408 10.671 -2.032 1.00 0.00 C ATOM 126 NH1 ARG A 29 4.791 9.825 -1.216 1.00 0.00 N ATOM 127 NH2 ARG A 29 6.180 11.625 -1.530 1.00 0.00 N ATOM 0 H ARG A 29 3.557 10.022 -7.074 1.00 0.00 H new ATOM 0 HA ARG A 29 1.170 9.073 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.147 11.337 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.597 11.327 -4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.790 10.262 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.405 8.844 -3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.687 8.559 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.633 9.514 -5.050 1.00 0.00 H new ATOM 0 HE ARG A 29 5.742 11.226 -3.947 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.197 9.089 -1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.911 9.911 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.657 12.276 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.297 11.708 -0.520 1.00 0.00 H new ATOM 138 N PHE A 30 -0.449 10.418 -6.906 1.00 0.00 N ATOM 139 CA PHE A 30 -1.441 11.194 -7.640 1.00 0.00 C ATOM 140 C PHE A 30 -2.017 12.304 -6.766 1.00 0.00 C ATOM 141 O PHE A 30 -2.917 12.069 -5.960 1.00 0.00 O ATOM 142 CB PHE A 30 -2.566 10.283 -8.136 1.00 0.00 C ATOM 143 CG PHE A 30 -2.078 9.099 -8.921 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.244 9.273 -10.014 1.00 0.00 C ATOM 145 CD2 PHE A 30 -2.450 7.814 -8.565 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.793 8.185 -10.739 1.00 0.00 C ATOM 147 CE2 PHE A 30 -2.003 6.722 -9.286 1.00 0.00 C ATOM 148 CZ PHE A 30 -1.173 6.909 -10.373 1.00 0.00 C ATOM 0 H PHE A 30 -0.811 9.563 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.948 11.651 -8.498 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.140 9.929 -7.280 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.247 10.865 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.943 10.269 -10.303 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.097 7.663 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.145 8.333 -11.590 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.303 5.725 -8.999 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.821 6.058 -10.937 1.00 0.00 H new ATOM 157 N ALA A 31 -1.492 13.513 -6.933 1.00 0.00 N ATOM 158 CA ALA A 31 -1.955 14.659 -6.160 1.00 0.00 C ATOM 159 C ALA A 31 -1.895 14.374 -4.663 1.00 0.00 C ATOM 160 O ALA A 31 -2.764 14.799 -3.904 1.00 0.00 O ATOM 161 CB ALA A 31 -3.370 15.036 -6.571 1.00 0.00 C ATOM 0 H ALA A 31 -0.746 13.724 -7.596 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.292 15.498 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.703 15.893 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.385 15.292 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.038 14.193 -6.392 1.00 0.00 H new ATOM 167 N GLY A 32 -0.861 13.649 -4.245 1.00 0.00 N ATOM 168 CA GLY A 32 -0.707 13.319 -2.840 1.00 0.00 C ATOM 169 C GLY A 32 -1.351 11.995 -2.481 1.00 0.00 C ATOM 170 O GLY A 32 -1.094 11.439 -1.414 1.00 0.00 O ATOM 0 H GLY A 32 -0.128 13.285 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.354 13.282 -2.593 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.148 14.110 -2.234 1.00 0.00 H new ATOM 174 N VAL A 33 -2.194 11.488 -3.376 1.00 0.00 N ATOM 175 CA VAL A 33 -2.877 10.220 -3.149 1.00 0.00 C ATOM 176 C VAL A 33 -2.280 9.112 -4.010 1.00 0.00 C ATOM 177 O VAL A 33 -2.259 9.207 -5.237 1.00 0.00 O ATOM 178 CB VAL A 33 -4.384 10.333 -3.451 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.110 9.068 -3.023 1.00 0.00 C ATOM 180 CG2 VAL A 33 -4.974 11.555 -2.761 1.00 0.00 C ATOM 0 H VAL A 33 -2.420 11.936 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.742 9.971 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.514 10.452 -4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.173 9.166 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.704 8.214 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.975 8.915 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.039 11.620 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.834 11.468 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.472 12.453 -3.120 1.00 0.00 H new ATOM 190 N PHE A 34 -1.796 8.060 -3.356 1.00 0.00 N ATOM 191 CA PHE A 34 -1.198 6.933 -4.062 1.00 0.00 C ATOM 192 C PHE A 34 -1.870 5.622 -3.661 1.00 0.00 C ATOM 193 O PHE A 34 -2.510 5.535 -2.613 1.00 0.00 O ATOM 194 CB PHE A 34 0.302 6.860 -3.770 1.00 0.00 C ATOM 195 CG PHE A 34 0.627 6.807 -2.305 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.651 7.965 -1.544 1.00 0.00 C ATOM 197 CD2 PHE A 34 0.908 5.599 -1.687 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.948 7.920 -0.195 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.206 5.547 -0.339 1.00 0.00 C ATOM 200 CZ PHE A 34 1.227 6.710 0.408 1.00 0.00 C ATOM 0 H PHE A 34 -1.806 7.965 -2.340 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.346 7.085 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.716 5.978 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.792 7.728 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.435 8.915 -2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.894 4.687 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.962 8.830 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.422 4.599 0.131 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.461 6.672 1.462 1.00 0.00 H new ATOM 209 N HIS A 35 -1.718 4.605 -4.502 1.00 0.00 N ATOM 210 CA HIS A 35 -2.310 3.299 -4.237 1.00 0.00 C ATOM 211 C HIS A 35 -1.257 2.320 -3.722 1.00 0.00 C ATOM 212 O HIS A 35 -0.133 2.281 -4.221 1.00 0.00 O ATOM 213 CB HIS A 35 -2.961 2.743 -5.503 1.00 0.00 C ATOM 214 CG HIS A 35 -1.984 2.132 -6.461 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.506 2.793 -7.572 1.00 0.00 N ATOM 216 CD2 HIS A 35 -1.395 0.913 -6.467 1.00 0.00 C ATOM 217 CE1 HIS A 35 -0.665 2.006 -8.222 1.00 0.00 C ATOM 218 NE2 HIS A 35 -0.581 0.860 -7.572 1.00 0.00 N ATOM 0 H HIS A 35 -1.190 4.660 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.074 3.424 -3.469 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.700 1.992 -5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.499 3.546 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.538 0.129 -5.739 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.137 2.258 -9.130 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.005 0.064 -7.846 1.00 0.00 H new ATOM 225 N VAL A 36 -1.630 1.533 -2.717 1.00 0.00 N ATOM 226 CA VAL A 36 -0.719 0.556 -2.133 1.00 0.00 C ATOM 227 C VAL A 36 -0.811 -0.782 -2.858 1.00 0.00 C ATOM 228 O VAL A 36 -1.896 -1.345 -3.007 1.00 0.00 O ATOM 229 CB VAL A 36 -1.014 0.337 -0.638 1.00 0.00 C ATOM 230 CG1 VAL A 36 0.051 -0.548 -0.008 1.00 0.00 C ATOM 231 CG2 VAL A 36 -1.105 1.672 0.086 1.00 0.00 C ATOM 0 H VAL A 36 -2.556 1.553 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 36 0.288 0.958 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.975 -0.169 -0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.174 -0.692 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.065 -1.515 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.026 -0.072 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.314 1.500 1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.160 2.206 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.906 2.268 -0.350 1.00 0.00 H new ATOM 241 N GLU A 37 0.334 -1.287 -3.306 1.00 0.00 N ATOM 242 CA GLU A 37 0.381 -2.560 -4.016 1.00 0.00 C ATOM 243 C GLU A 37 1.311 -3.542 -3.311 1.00 0.00 C ATOM 244 O GLU A 37 2.484 -3.247 -3.078 1.00 0.00 O ATOM 245 CB GLU A 37 0.846 -2.348 -5.460 1.00 0.00 C ATOM 246 CG GLU A 37 0.405 -3.448 -6.409 1.00 0.00 C ATOM 247 CD GLU A 37 0.363 -2.989 -7.854 1.00 0.00 C ATOM 248 OE1 GLU A 37 -0.151 -1.881 -8.108 1.00 0.00 O ATOM 249 OE2 GLU A 37 0.842 -3.740 -8.729 1.00 0.00 O ATOM 0 H GLU A 37 1.241 -0.835 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.625 -2.980 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.462 -1.394 -5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.934 -2.280 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.086 -4.294 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.583 -3.802 -6.115 1.00 0.00 H new ATOM 254 N LYS A 38 0.779 -4.711 -2.971 1.00 0.00 N ATOM 255 CA LYS A 38 1.559 -5.739 -2.292 1.00 0.00 C ATOM 256 C LYS A 38 2.429 -6.506 -3.283 1.00 0.00 C ATOM 257 O LYS A 38 2.142 -6.540 -4.479 1.00 0.00 O ATOM 258 CB LYS A 38 0.633 -6.708 -1.554 1.00 0.00 C ATOM 259 CG LYS A 38 1.240 -7.287 -0.288 1.00 0.00 C ATOM 260 CD LYS A 38 0.884 -6.455 0.931 1.00 0.00 C ATOM 261 CE LYS A 38 -0.278 -7.062 1.702 1.00 0.00 C ATOM 262 NZ LYS A 38 -0.543 -6.333 2.973 1.00 0.00 N ATOM 0 H LYS A 38 -0.190 -4.970 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 38 2.210 -5.247 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.292 -6.190 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.367 -7.525 -2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.887 -8.309 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.324 -7.336 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.753 -6.375 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.626 -5.443 0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.174 -7.046 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.061 -8.107 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.342 -6.778 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.303 -6.370 3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.775 -5.341 2.763 1.00 0.00 H new ATOM 272 N ASN A 39 3.492 -7.122 -2.777 1.00 0.00 N ATOM 273 CA ASN A 39 4.403 -7.889 -3.619 1.00 0.00 C ATOM 274 C ASN A 39 3.637 -8.891 -4.479 1.00 0.00 C ATOM 275 O ASN A 39 3.746 -8.884 -5.704 1.00 0.00 O ATOM 276 CB ASN A 39 5.432 -8.623 -2.757 1.00 0.00 C ATOM 277 CG ASN A 39 4.821 -9.203 -1.496 1.00 0.00 C ATOM 278 OD1 ASN A 39 4.620 -8.497 -0.508 1.00 0.00 O ATOM 279 ND2 ASN A 39 4.522 -10.497 -1.524 1.00 0.00 N ATOM 0 H ASN A 39 3.744 -7.105 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 39 4.921 -7.192 -4.278 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.885 -9.425 -3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.233 -7.935 -2.486 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.109 -10.943 -0.705 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.706 -11.045 -2.365 1.00 0.00 H new ATOM 285 N GLY A 40 2.860 -9.750 -3.826 1.00 0.00 N ATOM 286 CA GLY A 40 2.086 -10.745 -4.545 1.00 0.00 C ATOM 287 C GLY A 40 0.949 -10.132 -5.339 1.00 0.00 C ATOM 288 O GLY A 40 1.124 -9.761 -6.500 1.00 0.00 O ATOM 0 H GLY A 40 2.753 -9.774 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.743 -11.293 -5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.682 -11.468 -3.837 1.00 0.00 H new ATOM 292 N ARG A 41 -0.218 -10.026 -4.714 1.00 0.00 N ATOM 293 CA ARG A 41 -1.388 -9.457 -5.370 1.00 0.00 C ATOM 294 C ARG A 41 -2.265 -8.712 -4.369 1.00 0.00 C ATOM 295 O ARG A 41 -1.866 -8.483 -3.227 1.00 0.00 O ATOM 296 CB ARG A 41 -2.200 -10.557 -6.056 1.00 0.00 C ATOM 297 CG ARG A 41 -1.356 -11.508 -6.890 1.00 0.00 C ATOM 298 CD ARG A 41 -2.182 -12.671 -7.416 1.00 0.00 C ATOM 299 NE ARG A 41 -2.630 -13.554 -6.343 1.00 0.00 N ATOM 300 CZ ARG A 41 -3.440 -14.590 -6.533 1.00 0.00 C ATOM 301 NH1 ARG A 41 -3.887 -14.871 -7.749 1.00 0.00 N ATOM 302 NH2 ARG A 41 -3.803 -15.347 -5.506 1.00 0.00 N ATOM 0 H ARG A 41 -0.379 -10.327 -3.753 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.042 -8.747 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.734 -11.129 -5.297 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.952 -10.096 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.915 -10.966 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.532 -11.889 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.048 -12.286 -7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.590 -13.242 -8.132 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.303 -13.365 -5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.609 -14.291 -8.541 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.509 -15.667 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.460 -15.134 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.425 -16.142 -5.653 1.00 0.00 H new ATOM 313 N TYR A 42 -3.463 -8.336 -4.804 1.00 0.00 N ATOM 314 CA TYR A 42 -4.396 -7.615 -3.947 1.00 0.00 C ATOM 315 C TYR A 42 -4.793 -8.460 -2.742 1.00 0.00 C ATOM 316 O TYR A 42 -5.507 -9.455 -2.873 1.00 0.00 O ATOM 317 CB TYR A 42 -5.643 -7.215 -4.737 1.00 0.00 C ATOM 318 CG TYR A 42 -5.336 -6.610 -6.088 1.00 0.00 C ATOM 319 CD1 TYR A 42 -4.230 -5.786 -6.267 1.00 0.00 C ATOM 320 CD2 TYR A 42 -6.151 -6.857 -7.185 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.945 -5.230 -7.499 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.873 -6.306 -8.420 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.771 -5.492 -8.573 1.00 0.00 C ATOM 324 OH TYR A 42 -4.491 -4.941 -9.801 1.00 0.00 O ATOM 0 H TYR A 42 -3.810 -8.519 -5.745 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.898 -6.715 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.272 -8.094 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.220 -6.500 -4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.583 -5.577 -5.428 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.018 -7.491 -7.070 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.081 -4.594 -7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.516 -6.512 -9.263 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.011 -5.402 -10.492 1.00 0.00 H new ATOM 333 N SER A 43 -4.327 -8.056 -1.563 1.00 0.00 N ATOM 334 CA SER A 43 -4.631 -8.777 -0.333 1.00 0.00 C ATOM 335 C SER A 43 -4.577 -7.843 0.871 1.00 0.00 C ATOM 336 O SER A 43 -4.176 -8.244 1.965 1.00 0.00 O ATOM 337 CB SER A 43 -3.649 -9.933 -0.139 1.00 0.00 C ATOM 338 OG SER A 43 -3.475 -10.663 -1.342 1.00 0.00 O ATOM 0 H SER A 43 -3.738 -7.233 -1.435 1.00 0.00 H new ATOM 0 HA SER A 43 -5.641 -9.177 -0.416 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.687 -9.545 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.015 -10.598 0.644 1.00 0.00 H new ATOM 0 HG SER A 43 -2.841 -11.395 -1.191 1.00 0.00 H new ATOM 343 N ILE A 44 -4.986 -6.595 0.664 1.00 0.00 N ATOM 344 CA ILE A 44 -4.986 -5.603 1.732 1.00 0.00 C ATOM 345 C ILE A 44 -6.382 -5.430 2.319 1.00 0.00 C ATOM 346 O ILE A 44 -7.343 -5.165 1.597 1.00 0.00 O ATOM 347 CB ILE A 44 -4.478 -4.238 1.232 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.160 -4.407 0.471 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.302 -3.279 2.399 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.646 -3.121 -0.138 1.00 0.00 C ATOM 0 H ILE A 44 -5.322 -6.247 -0.234 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.312 -5.970 2.506 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.218 -3.819 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.406 -4.805 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.298 -5.144 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.942 -2.319 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.259 -3.139 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.579 -3.691 3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.710 -3.315 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.382 -2.732 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.476 -2.388 0.650 1.00 0.00 H new ATOM 361 N SER A 45 -6.485 -5.577 3.637 1.00 0.00 N ATOM 362 CA SER A 45 -7.766 -5.439 4.322 1.00 0.00 C ATOM 363 C SER A 45 -7.932 -4.028 4.881 1.00 0.00 C ATOM 364 O SER A 45 -6.990 -3.236 4.888 1.00 0.00 O ATOM 365 CB SER A 45 -7.875 -6.462 5.454 1.00 0.00 C ATOM 366 OG SER A 45 -7.319 -5.958 6.655 1.00 0.00 O ATOM 0 H SER A 45 -5.699 -5.791 4.250 1.00 0.00 H new ATOM 0 HA SER A 45 -8.560 -5.622 3.598 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.922 -6.720 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.361 -7.380 5.169 1.00 0.00 H new ATOM 0 HG SER A 45 -7.403 -6.631 7.362 1.00 0.00 H new ATOM 371 N ARG A 46 -9.140 -3.721 5.345 1.00 0.00 N ATOM 372 CA ARG A 46 -9.432 -2.407 5.902 1.00 0.00 C ATOM 373 C ARG A 46 -8.694 -2.200 7.223 1.00 0.00 C ATOM 374 O ARG A 46 -8.024 -1.187 7.420 1.00 0.00 O ATOM 375 CB ARG A 46 -10.937 -2.244 6.117 1.00 0.00 C ATOM 376 CG ARG A 46 -11.649 -1.565 4.959 1.00 0.00 C ATOM 377 CD ARG A 46 -13.071 -1.174 5.328 1.00 0.00 C ATOM 378 NE ARG A 46 -13.107 -0.044 6.252 1.00 0.00 N ATOM 379 CZ ARG A 46 -14.167 0.273 6.985 1.00 0.00 C ATOM 380 NH1 ARG A 46 -15.273 -0.454 6.906 1.00 0.00 N ATOM 381 NH2 ARG A 46 -14.122 1.317 7.803 1.00 0.00 N ATOM 0 H ARG A 46 -9.931 -4.365 5.346 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.089 -1.655 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.381 -3.226 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.105 -1.665 7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.093 -0.677 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.667 -2.235 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.623 -0.920 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.576 -2.028 5.780 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.271 0.534 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.311 -1.259 6.281 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.086 -0.208 7.470 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.272 1.877 7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.937 1.559 8.366 1.00 0.00 H new ATOM 392 N THR A 47 -8.822 -3.168 8.124 1.00 0.00 N ATOM 393 CA THR A 47 -8.169 -3.092 9.426 1.00 0.00 C ATOM 394 C THR A 47 -6.669 -2.870 9.275 1.00 0.00 C ATOM 395 O THR A 47 -6.023 -2.316 10.164 1.00 0.00 O ATOM 396 CB THR A 47 -8.407 -4.372 10.248 1.00 0.00 C ATOM 397 OG1 THR A 47 -9.794 -4.728 10.211 1.00 0.00 O ATOM 398 CG2 THR A 47 -7.969 -4.176 11.692 1.00 0.00 C ATOM 0 H THR A 47 -9.372 -4.014 7.977 1.00 0.00 H new ATOM 0 HA THR A 47 -8.608 -2.244 9.952 1.00 0.00 H new ATOM 0 HB THR A 47 -7.814 -5.174 9.809 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.936 -5.544 10.735 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.147 -5.093 12.254 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.907 -3.933 11.720 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.540 -3.361 12.138 1.00 0.00 H new ATOM 406 N GLU A 48 -6.121 -3.306 8.144 1.00 0.00 N ATOM 407 CA GLU A 48 -4.694 -3.153 7.881 1.00 0.00 C ATOM 408 C GLU A 48 -4.423 -1.885 7.075 1.00 0.00 C ATOM 409 O GLU A 48 -3.345 -1.299 7.166 1.00 0.00 O ATOM 410 CB GLU A 48 -4.160 -4.374 7.128 1.00 0.00 C ATOM 411 CG GLU A 48 -2.644 -4.411 7.029 1.00 0.00 C ATOM 412 CD GLU A 48 -2.120 -5.774 6.618 1.00 0.00 C ATOM 413 OE1 GLU A 48 -2.480 -6.239 5.517 1.00 0.00 O ATOM 414 OE2 GLU A 48 -1.351 -6.374 7.397 1.00 0.00 O ATOM 0 H GLU A 48 -6.642 -3.766 7.398 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.179 -3.071 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.506 -5.279 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.582 -4.384 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.312 -3.665 6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.214 -4.135 7.992 1.00 0.00 H new ATOM 419 N ALA A 49 -5.408 -1.471 6.286 1.00 0.00 N ATOM 420 CA ALA A 49 -5.277 -0.273 5.466 1.00 0.00 C ATOM 421 C ALA A 49 -4.830 0.920 6.302 1.00 0.00 C ATOM 422 O ALA A 49 -3.779 1.508 6.051 1.00 0.00 O ATOM 423 CB ALA A 49 -6.593 0.034 4.766 1.00 0.00 C ATOM 0 H ALA A 49 -6.306 -1.947 6.197 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.512 -0.461 4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.481 0.931 4.157 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.870 -0.805 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.372 0.196 5.511 1.00 0.00 H new ATOM 429 N ALA A 50 -5.636 1.273 7.299 1.00 0.00 N ATOM 430 CA ALA A 50 -5.323 2.396 8.174 1.00 0.00 C ATOM 431 C ALA A 50 -3.910 2.277 8.735 1.00 0.00 C ATOM 432 O ALA A 50 -3.083 3.173 8.558 1.00 0.00 O ATOM 433 CB ALA A 50 -6.336 2.482 9.306 1.00 0.00 C ATOM 0 H ALA A 50 -6.511 0.797 7.520 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.376 3.310 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.090 3.325 9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.334 2.622 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.311 1.560 9.888 1.00 0.00 H new ATOM 439 N ASP A 51 -3.638 1.166 9.412 1.00 0.00 N ATOM 440 CA ASP A 51 -2.323 0.930 9.998 1.00 0.00 C ATOM 441 C ASP A 51 -1.228 1.060 8.946 1.00 0.00 C ATOM 442 O ASP A 51 -0.104 1.462 9.251 1.00 0.00 O ATOM 443 CB ASP A 51 -2.270 -0.458 10.639 1.00 0.00 C ATOM 444 CG ASP A 51 -0.859 -0.871 11.010 1.00 0.00 C ATOM 445 OD1 ASP A 51 -0.286 -0.258 11.936 1.00 0.00 O ATOM 446 OD2 ASP A 51 -0.330 -1.805 10.375 1.00 0.00 O ATOM 0 H ASP A 51 -4.310 0.415 9.568 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.154 1.684 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.895 -0.467 11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.690 -1.190 9.949 1.00 0.00 H new ATOM 450 N LEU A 52 -1.561 0.718 7.706 1.00 0.00 N ATOM 451 CA LEU A 52 -0.604 0.796 6.607 1.00 0.00 C ATOM 452 C LEU A 52 -0.230 2.246 6.313 1.00 0.00 C ATOM 453 O LEU A 52 0.941 2.620 6.375 1.00 0.00 O ATOM 454 CB LEU A 52 -1.185 0.142 5.352 1.00 0.00 C ATOM 455 CG LEU A 52 -0.176 -0.240 4.268 1.00 0.00 C ATOM 456 CD1 LEU A 52 0.865 -1.200 4.822 1.00 0.00 C ATOM 457 CD2 LEU A 52 -0.889 -0.856 3.072 1.00 0.00 C ATOM 0 H LEU A 52 -2.486 0.384 7.436 1.00 0.00 H new ATOM 0 HA LEU A 52 0.298 0.261 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.725 -0.756 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.916 0.823 4.916 1.00 0.00 H new ATOM 0 HG LEU A 52 0.334 0.665 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.574 -1.461 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.396 -0.725 5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.372 -2.104 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.157 -1.122 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.425 -1.751 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.597 -0.136 2.660 1.00 0.00 H new ATOM 468 N CYS A 53 -1.233 3.058 5.994 1.00 0.00 N ATOM 469 CA CYS A 53 -1.012 4.466 5.691 1.00 0.00 C ATOM 470 C CYS A 53 -0.273 5.158 6.834 1.00 0.00 C ATOM 471 O CYS A 53 0.714 5.860 6.615 1.00 0.00 O ATOM 472 CB CYS A 53 -2.344 5.169 5.430 1.00 0.00 C ATOM 473 SG CYS A 53 -3.275 4.498 4.016 1.00 0.00 S ATOM 0 H CYS A 53 -2.208 2.764 5.939 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.396 4.527 4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.962 5.097 6.325 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.156 6.229 5.257 1.00 0.00 H new ATOM 477 N LYS A 54 -0.758 4.953 8.054 1.00 0.00 N ATOM 478 CA LYS A 54 -0.146 5.555 9.233 1.00 0.00 C ATOM 479 C LYS A 54 1.295 5.084 9.397 1.00 0.00 C ATOM 480 O LYS A 54 2.180 5.869 9.737 1.00 0.00 O ATOM 481 CB LYS A 54 -0.954 5.208 10.485 1.00 0.00 C ATOM 482 CG LYS A 54 -0.578 6.039 11.700 1.00 0.00 C ATOM 483 CD LYS A 54 -0.803 5.271 12.992 1.00 0.00 C ATOM 484 CE LYS A 54 -2.236 5.414 13.481 1.00 0.00 C ATOM 485 NZ LYS A 54 -2.392 4.947 14.887 1.00 0.00 N ATOM 0 H LYS A 54 -1.574 4.374 8.252 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.143 6.637 9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.014 5.348 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.812 4.153 10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.469 6.336 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.169 6.955 11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.574 4.217 12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.118 5.635 13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.542 6.458 13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.900 4.842 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.383 5.061 15.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.125 3.944 14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.778 5.510 15.510 1.00 0.00 H new ATOM 495 N ALA A 55 1.524 3.797 9.153 1.00 0.00 N ATOM 496 CA ALA A 55 2.858 3.223 9.272 1.00 0.00 C ATOM 497 C ALA A 55 3.771 3.723 8.156 1.00 0.00 C ATOM 498 O ALA A 55 4.984 3.509 8.190 1.00 0.00 O ATOM 499 CB ALA A 55 2.782 1.704 9.252 1.00 0.00 C ATOM 0 H ALA A 55 0.803 3.133 8.872 1.00 0.00 H new ATOM 0 HA ALA A 55 3.281 3.542 10.224 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.786 1.288 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.171 1.359 10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.335 1.374 8.314 1.00 0.00 H new ATOM 505 N PHE A 56 3.183 4.390 7.169 1.00 0.00 N ATOM 506 CA PHE A 56 3.944 4.919 6.043 1.00 0.00 C ATOM 507 C PHE A 56 3.972 6.445 6.075 1.00 0.00 C ATOM 508 O PHE A 56 4.028 7.097 5.033 1.00 0.00 O ATOM 509 CB PHE A 56 3.341 4.437 4.722 1.00 0.00 C ATOM 510 CG PHE A 56 4.284 4.547 3.558 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.574 4.054 3.646 1.00 0.00 C ATOM 512 CD2 PHE A 56 3.878 5.147 2.377 1.00 0.00 C ATOM 513 CE1 PHE A 56 6.445 4.153 2.576 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.744 5.250 1.304 1.00 0.00 C ATOM 515 CZ PHE A 56 6.029 4.752 1.403 1.00 0.00 C ATOM 0 H PHE A 56 2.181 4.577 7.126 1.00 0.00 H new ATOM 0 HA PHE A 56 4.967 4.552 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.031 3.398 4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.443 5.017 4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.905 3.586 4.561 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.875 5.538 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.449 3.763 2.658 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.416 5.720 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.706 4.831 0.565 1.00 0.00 H new ATOM 524 N ASN A 57 3.934 7.006 7.278 1.00 0.00 N ATOM 525 CA ASN A 57 3.955 8.455 7.448 1.00 0.00 C ATOM 526 C ASN A 57 2.888 9.119 6.583 1.00 0.00 C ATOM 527 O ASN A 57 3.115 10.183 6.007 1.00 0.00 O ATOM 528 CB ASN A 57 5.335 9.011 7.092 1.00 0.00 C ATOM 529 CG ASN A 57 5.499 10.459 7.507 1.00 0.00 C ATOM 530 OD1 ASN A 57 5.543 11.355 6.528 1.00 0.00 O flip ATOM 531 ND2 ASN A 57 5.586 10.771 8.695 1.00 0.00 N flip ATOM 0 H ASN A 57 3.888 6.480 8.151 1.00 0.00 H new ATOM 0 HA ASN A 57 3.740 8.677 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.103 8.408 7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.493 8.924 6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.547 10.050 9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.697 11.750 8.958 1.00 0.00 H new ATOM 537 N SER A 58 1.723 8.483 6.496 1.00 0.00 N ATOM 538 CA SER A 58 0.623 9.010 5.699 1.00 0.00 C ATOM 539 C SER A 58 -0.722 8.631 6.313 1.00 0.00 C ATOM 540 O SER A 58 -0.785 7.871 7.280 1.00 0.00 O ATOM 541 CB SER A 58 0.706 8.484 4.265 1.00 0.00 C ATOM 542 OG SER A 58 2.008 8.659 3.733 1.00 0.00 O ATOM 0 H SER A 58 1.518 7.602 6.968 1.00 0.00 H new ATOM 0 HA SER A 58 0.705 10.097 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.441 7.427 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.019 9.006 3.640 1.00 0.00 H new ATOM 0 HG SER A 58 2.620 8.017 4.149 1.00 0.00 H new ATOM 547 N THR A 59 -1.797 9.167 5.743 1.00 0.00 N ATOM 548 CA THR A 59 -3.141 8.888 6.233 1.00 0.00 C ATOM 549 C THR A 59 -4.093 8.583 5.083 1.00 0.00 C ATOM 550 O THR A 59 -3.925 9.088 3.973 1.00 0.00 O ATOM 551 CB THR A 59 -3.700 10.071 7.048 1.00 0.00 C ATOM 552 OG1 THR A 59 -3.387 11.306 6.393 1.00 0.00 O ATOM 553 CG2 THR A 59 -3.126 10.078 8.456 1.00 0.00 C ATOM 0 H THR A 59 -1.763 9.797 4.941 1.00 0.00 H new ATOM 0 HA THR A 59 -3.066 8.014 6.880 1.00 0.00 H new ATOM 0 HB THR A 59 -4.782 9.959 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.746 12.053 6.915 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.535 10.922 9.012 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.390 9.149 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.041 10.168 8.406 1.00 0.00 H new ATOM 561 N LEU A 60 -5.095 7.753 5.354 1.00 0.00 N ATOM 562 CA LEU A 60 -6.076 7.380 4.341 1.00 0.00 C ATOM 563 C LEU A 60 -6.649 8.617 3.659 1.00 0.00 C ATOM 564 O LEU A 60 -6.761 9.690 4.253 1.00 0.00 O ATOM 565 CB LEU A 60 -7.205 6.563 4.973 1.00 0.00 C ATOM 566 CG LEU A 60 -6.788 5.259 5.655 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.708 4.952 6.827 1.00 0.00 C ATOM 568 CD2 LEU A 60 -6.793 4.111 4.656 1.00 0.00 C ATOM 0 H LEU A 60 -5.249 7.326 6.267 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.573 6.772 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.712 7.188 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.934 6.327 4.198 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.774 5.378 6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.396 4.021 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.655 5.763 7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.733 4.852 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.494 3.191 5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.795 3.991 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.093 4.328 3.849 1.00 0.00 H new ATOM 579 N PRO A 61 -7.024 8.467 2.379 1.00 0.00 N ATOM 580 CA PRO A 61 -7.595 9.560 1.588 1.00 0.00 C ATOM 581 C PRO A 61 -8.995 9.945 2.054 1.00 0.00 C ATOM 582 O PRO A 61 -9.577 9.284 2.915 1.00 0.00 O ATOM 583 CB PRO A 61 -7.643 8.985 0.170 1.00 0.00 C ATOM 584 CG PRO A 61 -7.709 7.510 0.362 1.00 0.00 C ATOM 585 CD PRO A 61 -6.918 7.217 1.608 1.00 0.00 C ATOM 0 HA PRO A 61 -7.007 10.474 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.511 9.352 -0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.761 9.271 -0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.741 7.176 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.291 6.986 -0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.330 6.370 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.881 6.973 1.378 1.00 0.00 H new ATOM 590 N THR A 62 -9.532 11.017 1.481 1.00 0.00 N ATOM 591 CA THR A 62 -10.863 11.488 1.838 1.00 0.00 C ATOM 592 C THR A 62 -11.900 11.038 0.814 1.00 0.00 C ATOM 593 O THR A 62 -11.606 10.230 -0.065 1.00 0.00 O ATOM 594 CB THR A 62 -10.904 13.024 1.951 1.00 0.00 C ATOM 595 OG1 THR A 62 -10.835 13.614 0.649 1.00 0.00 O ATOM 596 CG2 THR A 62 -9.753 13.534 2.806 1.00 0.00 C ATOM 0 H THR A 62 -9.065 11.576 0.767 1.00 0.00 H new ATOM 0 HA THR A 62 -11.102 11.052 2.808 1.00 0.00 H new ATOM 0 HB THR A 62 -11.843 13.306 2.427 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.863 14.590 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.802 14.621 2.872 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.825 13.106 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.806 13.240 2.354 1.00 0.00 H new ATOM 604 N MET A 63 -13.113 11.568 0.934 1.00 0.00 N ATOM 605 CA MET A 63 -14.191 11.223 0.017 1.00 0.00 C ATOM 606 C MET A 63 -14.117 12.067 -1.252 1.00 0.00 C ATOM 607 O MET A 63 -14.502 11.616 -2.331 1.00 0.00 O ATOM 608 CB MET A 63 -15.548 11.419 0.694 1.00 0.00 C ATOM 609 CG MET A 63 -15.964 12.876 0.814 1.00 0.00 C ATOM 610 SD MET A 63 -17.567 13.077 1.614 1.00 0.00 S ATOM 611 CE MET A 63 -18.591 12.027 0.587 1.00 0.00 C ATOM 0 H MET A 63 -13.373 12.238 1.658 1.00 0.00 H new ATOM 0 HA MET A 63 -14.078 10.174 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 63 -16.308 10.878 0.129 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.515 10.976 1.689 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.209 13.420 1.381 1.00 0.00 H new ATOM 0 HG3 MET A 63 -16.000 13.323 -0.180 1.00 0.00 H new ATOM 0 HE1 MET A 63 -19.634 12.329 0.684 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.281 12.122 -0.454 1.00 0.00 H new ATOM 0 HE3 MET A 63 -18.482 10.990 0.904 1.00 0.00 H new ATOM 619 N ALA A 64 -13.620 13.291 -1.116 1.00 0.00 N ATOM 620 CA ALA A 64 -13.495 14.195 -2.252 1.00 0.00 C ATOM 621 C ALA A 64 -12.159 14.004 -2.960 1.00 0.00 C ATOM 622 O ALA A 64 -12.060 14.185 -4.174 1.00 0.00 O ATOM 623 CB ALA A 64 -13.650 15.640 -1.797 1.00 0.00 C ATOM 0 H ALA A 64 -13.297 13.680 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.290 13.961 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.554 16.304 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.631 15.775 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.876 15.877 -1.067 1.00 0.00 H new ATOM 629 N GLN A 65 -11.136 13.639 -2.197 1.00 0.00 N ATOM 630 CA GLN A 65 -9.805 13.423 -2.754 1.00 0.00 C ATOM 631 C GLN A 65 -9.852 12.428 -3.909 1.00 0.00 C ATOM 632 O GLN A 65 -9.203 12.622 -4.936 1.00 0.00 O ATOM 633 CB GLN A 65 -8.851 12.920 -1.669 1.00 0.00 C ATOM 634 CG GLN A 65 -8.123 14.034 -0.934 1.00 0.00 C ATOM 635 CD GLN A 65 -7.130 14.764 -1.817 1.00 0.00 C ATOM 636 OE1 GLN A 65 -6.657 14.224 -2.819 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.806 15.998 -1.449 1.00 0.00 N ATOM 0 H GLN A 65 -11.202 13.486 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.439 14.376 -3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.414 12.328 -0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.116 12.255 -2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.852 14.746 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.600 13.616 -0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.222 16.406 -0.612 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.141 16.538 -2.003 1.00 0.00 H new ATOM 644 N MET A 66 -10.625 11.360 -3.732 1.00 0.00 N ATOM 645 CA MET A 66 -10.757 10.335 -4.761 1.00 0.00 C ATOM 646 C MET A 66 -11.257 10.939 -6.069 1.00 0.00 C ATOM 647 O MET A 66 -10.648 10.751 -7.121 1.00 0.00 O ATOM 648 CB MET A 66 -11.713 9.236 -4.294 1.00 0.00 C ATOM 649 CG MET A 66 -11.348 8.647 -2.941 1.00 0.00 C ATOM 650 SD MET A 66 -9.699 7.920 -2.922 1.00 0.00 S ATOM 651 CE MET A 66 -9.794 6.826 -4.338 1.00 0.00 C ATOM 0 H MET A 66 -11.168 11.183 -2.887 1.00 0.00 H new ATOM 0 HA MET A 66 -9.773 9.901 -4.936 1.00 0.00 H new ATOM 0 HB2 MET A 66 -12.723 9.642 -4.244 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.727 8.438 -5.037 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.406 9.427 -2.182 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.080 7.885 -2.671 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.879 6.238 -4.406 1.00 0.00 H new ATOM 0 HE2 MET A 66 -10.647 6.157 -4.225 1.00 0.00 H new ATOM 0 HE3 MET A 66 -9.914 7.416 -5.246 1.00 0.00 H new ATOM 659 N GLU A 67 -12.368 11.663 -5.994 1.00 0.00 N ATOM 660 CA GLU A 67 -12.949 12.293 -7.175 1.00 0.00 C ATOM 661 C GLU A 67 -12.009 13.350 -7.746 1.00 0.00 C ATOM 662 O GLU A 67 -12.026 13.633 -8.944 1.00 0.00 O ATOM 663 CB GLU A 67 -14.298 12.928 -6.831 1.00 0.00 C ATOM 664 CG GLU A 67 -15.210 12.018 -6.025 1.00 0.00 C ATOM 665 CD GLU A 67 -16.664 12.445 -6.088 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.024 13.189 -7.024 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.441 12.033 -5.202 1.00 0.00 O ATOM 0 H GLU A 67 -12.884 11.828 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.101 11.520 -7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.125 13.846 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.804 13.210 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.119 10.997 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.882 12.010 -4.985 1.00 0.00 H new ATOM 672 N LYS A 68 -11.188 13.935 -6.878 1.00 0.00 N ATOM 673 CA LYS A 68 -10.239 14.961 -7.293 1.00 0.00 C ATOM 674 C LYS A 68 -9.173 14.376 -8.215 1.00 0.00 C ATOM 675 O LYS A 68 -8.998 14.834 -9.344 1.00 0.00 O ATOM 676 CB LYS A 68 -9.577 15.596 -6.070 1.00 0.00 C ATOM 677 CG LYS A 68 -8.892 16.919 -6.368 1.00 0.00 C ATOM 678 CD LYS A 68 -9.901 18.038 -6.556 1.00 0.00 C ATOM 679 CE LYS A 68 -10.495 18.484 -5.229 1.00 0.00 C ATOM 680 NZ LYS A 68 -11.114 19.836 -5.324 1.00 0.00 N ATOM 0 H LYS A 68 -11.162 13.715 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.787 15.727 -7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.331 15.753 -5.299 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.844 14.900 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.215 17.171 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.284 16.821 -7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.419 18.886 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.699 17.702 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.246 17.763 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.715 18.494 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.507 20.104 -4.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.392 20.529 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.875 19.820 -6.032 1.00 0.00 H new ATOM 690 N ALA A 69 -8.468 13.360 -7.727 1.00 0.00 N ATOM 691 CA ALA A 69 -7.423 12.712 -8.509 1.00 0.00 C ATOM 692 C ALA A 69 -8.017 11.718 -9.504 1.00 0.00 C ATOM 693 O ALA A 69 -7.306 11.161 -10.341 1.00 0.00 O ATOM 694 CB ALA A 69 -6.434 12.010 -7.589 1.00 0.00 C ATOM 0 H ALA A 69 -8.602 12.969 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.897 13.482 -9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.659 11.530 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.977 12.740 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.957 11.256 -7.000 1.00 0.00 H new ATOM 700 N LEU A 70 -9.325 11.502 -9.406 1.00 0.00 N ATOM 701 CA LEU A 70 -10.015 10.575 -10.296 1.00 0.00 C ATOM 702 C LEU A 70 -9.919 11.041 -11.747 1.00 0.00 C ATOM 703 O LEU A 70 -10.086 10.249 -12.674 1.00 0.00 O ATOM 704 CB LEU A 70 -11.484 10.443 -9.889 1.00 0.00 C ATOM 705 CG LEU A 70 -12.436 9.922 -10.965 1.00 0.00 C ATOM 706 CD1 LEU A 70 -13.568 9.125 -10.336 1.00 0.00 C ATOM 707 CD2 LEU A 70 -12.986 11.075 -11.793 1.00 0.00 C ATOM 0 H LEU A 70 -9.928 11.956 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.532 9.602 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -11.543 9.778 -9.028 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.838 11.420 -9.562 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.879 9.259 -11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.236 8.762 -11.118 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.156 8.277 -9.789 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.125 9.763 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.662 10.686 -12.554 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.528 11.763 -11.144 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.163 11.603 -12.274 1.00 0.00 H new ATOM 718 N SER A 71 -9.645 12.328 -11.933 1.00 0.00 N ATOM 719 CA SER A 71 -9.526 12.898 -13.270 1.00 0.00 C ATOM 720 C SER A 71 -8.078 13.266 -13.578 1.00 0.00 C ATOM 721 O SER A 71 -7.770 13.765 -14.660 1.00 0.00 O ATOM 722 CB SER A 71 -10.418 14.135 -13.400 1.00 0.00 C ATOM 723 OG SER A 71 -10.852 14.312 -14.737 1.00 0.00 O ATOM 0 H SER A 71 -9.501 12.996 -11.175 1.00 0.00 H new ATOM 0 HA SER A 71 -9.851 12.146 -13.989 1.00 0.00 H new ATOM 0 HB2 SER A 71 -11.283 14.034 -12.744 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.870 15.018 -13.072 1.00 0.00 H new ATOM 0 HG SER A 71 -11.421 15.108 -14.793 1.00 0.00 H new ATOM 728 N ILE A 72 -7.195 13.015 -12.618 1.00 0.00 N ATOM 729 CA ILE A 72 -5.778 13.318 -12.786 1.00 0.00 C ATOM 730 C ILE A 72 -4.965 12.046 -12.996 1.00 0.00 C ATOM 731 O ILE A 72 -3.822 12.094 -13.452 1.00 0.00 O ATOM 732 CB ILE A 72 -5.217 14.078 -11.571 1.00 0.00 C ATOM 733 CG1 ILE A 72 -4.783 13.094 -10.481 1.00 0.00 C ATOM 734 CG2 ILE A 72 -6.254 15.051 -11.030 1.00 0.00 C ATOM 735 CD1 ILE A 72 -3.311 12.750 -10.529 1.00 0.00 C ATOM 0 H ILE A 72 -7.435 12.603 -11.716 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.693 13.950 -13.670 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.344 14.647 -11.889 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.017 13.519 -9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.365 12.178 -10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.842 15.581 -10.171 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.519 15.769 -11.806 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.144 14.501 -10.725 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.075 12.049 -9.729 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.075 12.295 -11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.721 13.658 -10.402 1.00 0.00 H new ATOM 746 N GLY A 73 -5.562 10.906 -12.662 1.00 0.00 N ATOM 747 CA GLY A 73 -4.879 9.636 -12.822 1.00 0.00 C ATOM 748 C GLY A 73 -5.072 8.719 -11.630 1.00 0.00 C ATOM 749 O GLY A 73 -4.139 8.483 -10.862 1.00 0.00 O ATOM 0 H GLY A 73 -6.507 10.840 -12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.246 9.140 -13.721 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.814 9.816 -12.969 1.00 0.00 H new ATOM 753 N PHE A 74 -6.286 8.201 -11.475 1.00 0.00 N ATOM 754 CA PHE A 74 -6.598 7.306 -10.368 1.00 0.00 C ATOM 755 C PHE A 74 -7.624 6.257 -10.788 1.00 0.00 C ATOM 756 O PHE A 74 -8.487 5.868 -10.002 1.00 0.00 O ATOM 757 CB PHE A 74 -7.130 8.104 -9.174 1.00 0.00 C ATOM 758 CG PHE A 74 -6.647 7.594 -7.848 1.00 0.00 C ATOM 759 CD1 PHE A 74 -7.245 6.493 -7.254 1.00 0.00 C ATOM 760 CD2 PHE A 74 -5.594 8.213 -7.194 1.00 0.00 C ATOM 761 CE1 PHE A 74 -6.802 6.020 -6.032 1.00 0.00 C ATOM 762 CE2 PHE A 74 -5.146 7.744 -5.973 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.751 6.647 -5.391 1.00 0.00 C ATOM 0 H PHE A 74 -7.069 8.386 -12.102 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.680 6.795 -10.077 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.833 9.147 -9.283 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.220 8.080 -9.188 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.066 5.999 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.118 9.072 -7.643 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.277 5.162 -5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.323 8.235 -5.474 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.403 6.280 -4.437 1.00 0.00 H new ATOM 772 N GLU A 75 -7.521 5.803 -12.034 1.00 0.00 N ATOM 773 CA GLU A 75 -8.439 4.801 -12.559 1.00 0.00 C ATOM 774 C GLU A 75 -8.034 3.402 -12.107 1.00 0.00 C ATOM 775 O GLU A 75 -6.847 3.090 -12.000 1.00 0.00 O ATOM 776 CB GLU A 75 -8.477 4.864 -14.088 1.00 0.00 C ATOM 777 CG GLU A 75 -9.257 3.725 -14.725 1.00 0.00 C ATOM 778 CD GLU A 75 -9.212 3.763 -16.240 1.00 0.00 C ATOM 779 OE1 GLU A 75 -8.489 4.620 -16.790 1.00 0.00 O ATOM 780 OE2 GLU A 75 -9.899 2.936 -16.874 1.00 0.00 O ATOM 0 H GLU A 75 -6.811 6.114 -12.697 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.434 5.016 -12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.920 5.812 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.456 4.852 -14.469 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.854 2.774 -14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.295 3.771 -14.395 1.00 0.00 H new ATOM 785 N THR A 76 -9.029 2.560 -11.839 1.00 0.00 N ATOM 786 CA THR A 76 -8.776 1.196 -11.396 1.00 0.00 C ATOM 787 C THR A 76 -10.082 0.454 -11.131 1.00 0.00 C ATOM 788 O THR A 76 -11.032 1.022 -10.591 1.00 0.00 O ATOM 789 CB THR A 76 -7.915 1.168 -10.119 1.00 0.00 C ATOM 790 OG1 THR A 76 -7.886 -0.156 -9.576 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.460 2.136 -9.078 1.00 0.00 C ATOM 0 H THR A 76 -10.017 2.800 -11.922 1.00 0.00 H new ATOM 0 HA THR A 76 -8.234 0.699 -12.200 1.00 0.00 H new ATOM 0 HB THR A 76 -6.903 1.474 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.335 -0.165 -8.766 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.836 2.099 -8.185 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.454 3.148 -9.483 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.481 1.855 -8.819 1.00 0.00 H new ATOM 799 N CYS A 77 -10.123 -0.818 -11.513 1.00 0.00 N ATOM 800 CA CYS A 77 -11.312 -1.639 -11.317 1.00 0.00 C ATOM 801 C CYS A 77 -11.214 -2.436 -10.019 1.00 0.00 C ATOM 802 O CYS A 77 -11.754 -3.538 -9.913 1.00 0.00 O ATOM 803 CB CYS A 77 -11.502 -2.589 -12.499 1.00 0.00 C ATOM 804 SG CYS A 77 -13.202 -2.635 -13.152 1.00 0.00 S ATOM 0 H CYS A 77 -9.345 -1.303 -11.961 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.175 -0.976 -11.251 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.824 -2.294 -13.300 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -11.215 -3.595 -12.192 1.00 0.00 H new ATOM 808 N ARG A 78 -10.522 -1.871 -9.035 1.00 0.00 N ATOM 809 CA ARG A 78 -10.353 -2.529 -7.745 1.00 0.00 C ATOM 810 C ARG A 78 -10.813 -1.622 -6.608 1.00 0.00 C ATOM 811 O ARG A 78 -10.248 -0.551 -6.387 1.00 0.00 O ATOM 812 CB ARG A 78 -8.889 -2.923 -7.538 1.00 0.00 C ATOM 813 CG ARG A 78 -8.542 -4.292 -8.099 1.00 0.00 C ATOM 814 CD ARG A 78 -8.117 -4.204 -9.557 1.00 0.00 C ATOM 815 NE ARG A 78 -6.860 -3.481 -9.719 1.00 0.00 N ATOM 816 CZ ARG A 78 -6.415 -3.030 -10.887 1.00 0.00 C ATOM 817 NH1 ARG A 78 -7.126 -3.226 -11.990 1.00 0.00 N ATOM 818 NH2 ARG A 78 -5.261 -2.381 -10.955 1.00 0.00 N ATOM 0 H ARG A 78 -10.070 -0.960 -9.106 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.968 -3.429 -7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.250 -2.175 -8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.665 -2.909 -6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.738 -4.735 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.404 -4.953 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.012 -5.209 -9.965 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.898 -3.707 -10.132 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.291 -3.312 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.015 -3.723 -11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.783 -2.879 -12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.712 -2.227 -10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.922 -2.036 -11.853 1.00 0.00 H new ATOM 829 N TYR A 79 -11.842 -2.059 -5.889 1.00 0.00 N ATOM 830 CA TYR A 79 -12.380 -1.286 -4.777 1.00 0.00 C ATOM 831 C TYR A 79 -11.270 -0.875 -3.811 1.00 0.00 C ATOM 832 O TYR A 79 -10.321 -1.623 -3.587 1.00 0.00 O ATOM 833 CB TYR A 79 -13.445 -2.094 -4.034 1.00 0.00 C ATOM 834 CG TYR A 79 -14.499 -2.685 -4.942 1.00 0.00 C ATOM 835 CD1 TYR A 79 -15.158 -1.897 -5.879 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.838 -4.030 -4.863 1.00 0.00 C ATOM 837 CE1 TYR A 79 -16.122 -2.432 -6.710 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.801 -4.574 -5.692 1.00 0.00 C ATOM 839 CZ TYR A 79 -16.440 -3.772 -6.613 1.00 0.00 C ATOM 840 OH TYR A 79 -17.400 -4.310 -7.438 1.00 0.00 O ATOM 0 H TYR A 79 -12.319 -2.945 -6.057 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.837 -0.383 -5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.959 -2.899 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.929 -1.451 -3.299 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -14.912 -0.848 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.341 -4.661 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.625 -1.806 -7.432 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.051 -5.622 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.502 -5.265 -7.242 1.00 0.00 H new ATOM 849 N GLY A 80 -11.403 0.320 -3.243 1.00 0.00 N ATOM 850 CA GLY A 80 -10.406 0.809 -2.309 1.00 0.00 C ATOM 851 C GLY A 80 -10.981 1.067 -0.930 1.00 0.00 C ATOM 852 O GLY A 80 -12.197 1.033 -0.741 1.00 0.00 O ATOM 0 H GLY A 80 -12.182 0.957 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.597 0.082 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.971 1.730 -2.696 1.00 0.00 H new ATOM 856 N PHE A 81 -10.106 1.325 0.036 1.00 0.00 N ATOM 857 CA PHE A 81 -10.534 1.587 1.405 1.00 0.00 C ATOM 858 C PHE A 81 -10.084 2.972 1.860 1.00 0.00 C ATOM 859 O PHE A 81 -9.029 3.123 2.476 1.00 0.00 O ATOM 860 CB PHE A 81 -9.974 0.522 2.349 1.00 0.00 C ATOM 861 CG PHE A 81 -10.465 -0.866 2.047 1.00 0.00 C ATOM 862 CD1 PHE A 81 -11.804 -1.099 1.781 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.586 -1.938 2.027 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.259 -2.373 1.503 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.034 -3.214 1.747 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.373 -3.432 1.487 1.00 0.00 C ATOM 0 H PHE A 81 -9.096 1.358 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.623 1.551 1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.886 0.534 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.243 0.779 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.501 -0.274 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.539 -1.773 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.306 -2.541 1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.339 -4.040 1.731 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.727 -4.429 1.271 1.00 0.00 H new ATOM 875 N ILE A 82 -10.892 3.981 1.549 1.00 0.00 N ATOM 876 CA ILE A 82 -10.579 5.354 1.926 1.00 0.00 C ATOM 877 C ILE A 82 -10.636 5.535 3.439 1.00 0.00 C ATOM 878 O ILE A 82 -10.734 4.563 4.187 1.00 0.00 O ATOM 879 CB ILE A 82 -11.545 6.354 1.262 1.00 0.00 C ATOM 880 CG1 ILE A 82 -12.969 6.134 1.773 1.00 0.00 C ATOM 881 CG2 ILE A 82 -11.490 6.217 -0.252 1.00 0.00 C ATOM 882 CD1 ILE A 82 -13.942 7.204 1.328 1.00 0.00 C ATOM 0 H ILE A 82 -11.768 3.873 1.037 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.566 5.555 1.577 1.00 0.00 H new ATOM 0 HB ILE A 82 -11.237 7.366 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.325 5.164 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.954 6.098 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.178 6.930 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -10.477 6.418 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.776 5.204 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.932 6.984 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -13.610 8.174 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.986 7.226 0.239 1.00 0.00 H new ATOM 893 N GLU A 83 -10.576 6.788 3.881 1.00 0.00 N ATOM 894 CA GLU A 83 -10.622 7.096 5.306 1.00 0.00 C ATOM 895 C GLU A 83 -11.697 6.271 6.007 1.00 0.00 C ATOM 896 O GLU A 83 -11.435 5.621 7.019 1.00 0.00 O ATOM 897 CB GLU A 83 -10.890 8.588 5.518 1.00 0.00 C ATOM 898 CG GLU A 83 -11.169 8.955 6.967 1.00 0.00 C ATOM 899 CD GLU A 83 -11.128 10.452 7.207 1.00 0.00 C ATOM 900 OE1 GLU A 83 -10.051 11.054 7.018 1.00 0.00 O ATOM 901 OE2 GLU A 83 -12.174 11.022 7.584 1.00 0.00 O ATOM 0 H GLU A 83 -10.496 7.604 3.274 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.654 6.842 5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.029 9.157 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.741 8.887 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.148 8.571 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.436 8.467 7.609 1.00 0.00 H new ATOM 906 N GLY A 84 -12.908 6.300 5.461 1.00 0.00 N ATOM 907 CA GLY A 84 -14.005 5.551 6.046 1.00 0.00 C ATOM 908 C GLY A 84 -15.084 5.217 5.036 1.00 0.00 C ATOM 909 O GLY A 84 -16.238 5.618 5.192 1.00 0.00 O ATOM 0 H GLY A 84 -13.150 6.829 4.623 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.620 4.628 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.441 6.129 6.861 1.00 0.00 H new ATOM 913 N HIS A 85 -14.710 4.482 3.993 1.00 0.00 N ATOM 914 CA HIS A 85 -15.655 4.096 2.952 1.00 0.00 C ATOM 915 C HIS A 85 -14.959 3.292 1.856 1.00 0.00 C ATOM 916 O HIS A 85 -13.766 3.001 1.950 1.00 0.00 O ATOM 917 CB HIS A 85 -16.316 5.335 2.349 1.00 0.00 C ATOM 918 CG HIS A 85 -17.792 5.410 2.601 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.401 6.504 3.177 1.00 0.00 N ATOM 920 CD2 HIS A 85 -18.779 4.518 2.352 1.00 0.00 C ATOM 921 CE1 HIS A 85 -19.700 6.282 3.273 1.00 0.00 C ATOM 922 NE2 HIS A 85 -19.955 5.084 2.779 1.00 0.00 N ATOM 0 H HIS A 85 -13.759 4.142 3.847 1.00 0.00 H new ATOM 0 HA HIS A 85 -16.422 3.469 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -15.840 6.226 2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -16.138 5.344 1.274 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -18.663 3.543 1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -20.429 6.964 3.685 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -20.876 4.650 2.724 1.00 0.00 H new ATOM 929 N VAL A 86 -15.712 2.938 0.820 1.00 0.00 N ATOM 930 CA VAL A 86 -15.166 2.170 -0.294 1.00 0.00 C ATOM 931 C VAL A 86 -15.665 2.708 -1.629 1.00 0.00 C ATOM 932 O VAL A 86 -16.840 2.566 -1.968 1.00 0.00 O ATOM 933 CB VAL A 86 -15.538 0.680 -0.181 1.00 0.00 C ATOM 934 CG1 VAL A 86 -14.996 -0.097 -1.371 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.020 0.098 1.127 1.00 0.00 C ATOM 0 H VAL A 86 -16.701 3.170 0.728 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.082 2.271 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.625 0.594 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.269 -1.148 -1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.420 0.304 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -13.910 -0.005 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.292 -0.956 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.935 0.195 1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.461 0.637 1.965 1.00 0.00 H new ATOM 945 N VAL A 87 -14.764 3.326 -2.386 1.00 0.00 N ATOM 946 CA VAL A 87 -15.112 3.884 -3.687 1.00 0.00 C ATOM 947 C VAL A 87 -14.339 3.193 -4.806 1.00 0.00 C ATOM 948 O VAL A 87 -13.472 2.358 -4.550 1.00 0.00 O ATOM 949 CB VAL A 87 -14.829 5.397 -3.741 1.00 0.00 C ATOM 950 CG1 VAL A 87 -15.692 6.139 -2.732 1.00 0.00 C ATOM 951 CG2 VAL A 87 -13.353 5.672 -3.497 1.00 0.00 C ATOM 0 H VAL A 87 -13.787 3.453 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 87 -16.179 3.716 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.083 5.761 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.478 7.206 -2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -16.745 5.968 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.473 5.775 -1.728 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.171 6.746 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.070 5.294 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -12.759 5.173 -4.263 1.00 0.00 H new ATOM 961 N ILE A 88 -14.661 3.547 -6.045 1.00 0.00 N ATOM 962 CA ILE A 88 -13.997 2.962 -7.203 1.00 0.00 C ATOM 963 C ILE A 88 -14.040 3.908 -8.398 1.00 0.00 C ATOM 964 O ILE A 88 -14.915 3.822 -9.260 1.00 0.00 O ATOM 965 CB ILE A 88 -14.640 1.620 -7.603 1.00 0.00 C ATOM 966 CG1 ILE A 88 -14.042 1.116 -8.917 1.00 0.00 C ATOM 967 CG2 ILE A 88 -16.149 1.772 -7.723 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.964 -0.392 -9.006 1.00 0.00 C ATOM 0 H ILE A 88 -15.378 4.236 -6.273 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.960 2.788 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.430 0.885 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.641 1.490 -9.747 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -13.041 1.531 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -16.590 0.816 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -16.560 2.091 -6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.380 2.518 -8.484 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -13.530 -0.678 -9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -13.340 -0.772 -8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.965 -0.814 -8.921 1.00 0.00 H new ATOM 979 N PRO A 89 -13.071 4.835 -8.454 1.00 0.00 N ATOM 980 CA PRO A 89 -12.974 5.813 -9.540 1.00 0.00 C ATOM 981 C PRO A 89 -12.573 5.173 -10.865 1.00 0.00 C ATOM 982 O PRO A 89 -11.956 4.109 -10.888 1.00 0.00 O ATOM 983 CB PRO A 89 -11.882 6.772 -9.058 1.00 0.00 C ATOM 984 CG PRO A 89 -11.051 5.959 -8.125 1.00 0.00 C ATOM 985 CD PRO A 89 -11.995 4.996 -7.461 1.00 0.00 C ATOM 0 HA PRO A 89 -13.930 6.298 -9.737 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -11.289 7.148 -9.892 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.310 7.639 -8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.266 5.427 -8.664 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -10.558 6.593 -7.388 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.509 4.046 -7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.374 5.390 -6.518 1.00 0.00 H new ATOM 990 N ARG A 90 -12.929 5.829 -11.965 1.00 0.00 N ATOM 991 CA ARG A 90 -12.606 5.322 -13.293 1.00 0.00 C ATOM 992 C ARG A 90 -12.520 6.462 -14.304 1.00 0.00 C ATOM 993 O ARG A 90 -13.399 7.322 -14.362 1.00 0.00 O ATOM 994 CB ARG A 90 -13.659 4.307 -13.744 1.00 0.00 C ATOM 995 CG ARG A 90 -13.169 2.869 -13.718 1.00 0.00 C ATOM 996 CD ARG A 90 -13.602 2.155 -12.447 1.00 0.00 C ATOM 997 NE ARG A 90 -14.421 0.980 -12.733 1.00 0.00 N ATOM 998 CZ ARG A 90 -15.730 1.032 -12.952 1.00 0.00 C ATOM 999 NH1 ARG A 90 -16.366 2.195 -12.919 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -16.407 -0.082 -13.205 1.00 0.00 N ATOM 0 H ARG A 90 -13.440 6.711 -11.963 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.634 4.831 -13.240 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.535 4.395 -13.101 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.980 4.554 -14.756 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.557 2.336 -14.586 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.082 2.853 -13.793 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.720 1.854 -11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.164 2.844 -11.817 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.963 0.069 -12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.850 3.053 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.371 2.231 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.922 -0.979 -13.231 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.412 -0.041 -13.373 1.00 0.00 H new ATOM 1011 N ILE A 91 -11.453 6.462 -15.096 1.00 0.00 N ATOM 1012 CA ILE A 91 -11.252 7.496 -16.104 1.00 0.00 C ATOM 1013 C ILE A 91 -11.695 7.016 -17.481 1.00 0.00 C ATOM 1014 O ILE A 91 -12.655 7.535 -18.053 1.00 0.00 O ATOM 1015 CB ILE A 91 -9.776 7.933 -16.175 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -9.315 8.474 -14.821 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -9.585 8.978 -17.264 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -7.848 8.229 -14.540 1.00 0.00 C ATOM 0 H ILE A 91 -10.715 5.759 -15.059 1.00 0.00 H new ATOM 0 HA ILE A 91 -11.862 8.349 -15.807 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.167 7.064 -16.423 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.510 9.546 -14.781 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.910 8.012 -14.033 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.537 9.277 -17.302 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.878 8.558 -18.226 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.203 9.849 -17.045 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.591 8.639 -13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.650 7.157 -14.547 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.245 8.714 -15.307 1.00 0.00 H new ATOM 1029 N HIS A 92 -10.991 6.019 -18.010 1.00 0.00 N ATOM 1030 CA HIS A 92 -11.314 5.466 -19.320 1.00 0.00 C ATOM 1031 C HIS A 92 -11.230 3.943 -19.302 1.00 0.00 C ATOM 1032 O HIS A 92 -10.393 3.335 -19.971 1.00 0.00 O ATOM 1033 CB HIS A 92 -10.369 6.028 -20.381 1.00 0.00 C ATOM 1034 CG HIS A 92 -10.937 6.001 -21.767 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -10.270 5.459 -22.844 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -12.121 6.451 -22.246 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -11.017 5.577 -23.928 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -12.145 6.177 -23.592 1.00 0.00 N ATOM 0 H HIS A 92 -10.194 5.578 -17.551 1.00 0.00 H new ATOM 0 HA HIS A 92 -12.336 5.753 -19.566 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.115 7.056 -20.122 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.440 5.457 -20.367 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.901 6.935 -21.676 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.751 5.240 -24.919 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -12.910 6.401 -24.229 1.00 0.00 H new ATOM 1045 N PRO A 93 -12.116 3.310 -18.519 1.00 0.00 N ATOM 1046 CA PRO A 93 -12.161 1.850 -18.396 1.00 0.00 C ATOM 1047 C PRO A 93 -12.657 1.176 -19.670 1.00 0.00 C ATOM 1048 O PRO A 93 -12.798 1.818 -20.710 1.00 0.00 O ATOM 1049 CB PRO A 93 -13.151 1.622 -17.251 1.00 0.00 C ATOM 1050 CG PRO A 93 -14.019 2.832 -17.253 1.00 0.00 C ATOM 1051 CD PRO A 93 -13.141 3.970 -17.696 1.00 0.00 C ATOM 0 HA PRO A 93 -11.173 1.425 -18.216 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.736 0.715 -17.408 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.634 1.507 -16.298 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.864 2.705 -17.929 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.430 3.019 -16.261 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.701 4.710 -18.268 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.700 4.491 -16.846 1.00 0.00 H new ATOM 1056 N ASN A 94 -12.924 -0.124 -19.581 1.00 0.00 N ATOM 1057 CA ASN A 94 -13.404 -0.885 -20.729 1.00 0.00 C ATOM 1058 C ASN A 94 -14.553 -1.807 -20.327 1.00 0.00 C ATOM 1059 O ASN A 94 -15.006 -1.789 -19.183 1.00 0.00 O ATOM 1060 CB ASN A 94 -12.266 -1.706 -21.336 1.00 0.00 C ATOM 1061 CG ASN A 94 -11.266 -0.845 -22.082 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -11.628 -0.102 -22.993 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -9.999 -0.940 -21.698 1.00 0.00 N ATOM 0 H ASN A 94 -12.816 -0.671 -18.727 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.770 -0.179 -21.474 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.752 -2.251 -20.544 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.681 -2.449 -22.017 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.282 -0.384 -22.164 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.742 -1.569 -20.937 1.00 0.00 H new ATOM 1069 N SER A 95 -15.017 -2.613 -21.276 1.00 0.00 N ATOM 1070 CA SER A 95 -16.114 -3.539 -21.023 1.00 0.00 C ATOM 1071 C SER A 95 -15.724 -4.567 -19.966 1.00 0.00 C ATOM 1072 O SER A 95 -16.582 -5.235 -19.386 1.00 0.00 O ATOM 1073 CB SER A 95 -16.520 -4.249 -22.316 1.00 0.00 C ATOM 1074 OG SER A 95 -16.796 -5.618 -22.081 1.00 0.00 O ATOM 0 H SER A 95 -14.650 -2.643 -22.227 1.00 0.00 H new ATOM 0 HA SER A 95 -16.962 -2.965 -20.651 1.00 0.00 H new ATOM 0 HB2 SER A 95 -17.400 -3.765 -22.739 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.721 -4.157 -23.051 1.00 0.00 H new ATOM 0 HG SER A 95 -17.055 -6.049 -22.922 1.00 0.00 H new ATOM 1079 N ILE A 96 -14.424 -4.689 -19.721 1.00 0.00 N ATOM 1080 CA ILE A 96 -13.919 -5.634 -18.732 1.00 0.00 C ATOM 1081 C ILE A 96 -14.396 -5.273 -17.330 1.00 0.00 C ATOM 1082 O ILE A 96 -14.461 -6.124 -16.444 1.00 0.00 O ATOM 1083 CB ILE A 96 -12.381 -5.689 -18.741 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -11.798 -4.325 -18.365 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -11.873 -6.132 -20.105 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -10.292 -4.329 -18.223 1.00 0.00 C ATOM 0 H ILE A 96 -13.701 -4.146 -20.193 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.311 -6.614 -19.004 1.00 0.00 H new ATOM 0 HB ILE A 96 -12.054 -6.419 -18.000 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -12.081 -3.596 -19.125 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -12.242 -3.996 -17.426 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.784 -6.166 -20.094 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -12.264 -7.123 -20.335 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -12.207 -5.425 -20.865 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.949 -3.330 -17.956 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.002 -5.033 -17.443 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.838 -4.627 -19.168 1.00 0.00 H new ATOM 1097 N CYS A 97 -14.731 -4.001 -17.135 1.00 0.00 N ATOM 1098 CA CYS A 97 -15.203 -3.523 -15.841 1.00 0.00 C ATOM 1099 C CYS A 97 -16.705 -3.751 -15.693 1.00 0.00 C ATOM 1100 O CYS A 97 -17.356 -4.278 -16.596 1.00 0.00 O ATOM 1101 CB CYS A 97 -14.883 -2.037 -15.675 1.00 0.00 C ATOM 1102 SG CYS A 97 -13.263 -1.707 -14.909 1.00 0.00 S ATOM 0 H CYS A 97 -14.684 -3.283 -17.858 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.689 -4.087 -15.063 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.915 -1.558 -16.654 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -15.661 -1.574 -15.068 1.00 0.00 H new ATOM 1106 N ALA A 98 -17.249 -3.349 -14.549 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.674 -3.507 -14.284 1.00 0.00 C ATOM 1108 C ALA A 98 -19.498 -2.512 -15.097 1.00 0.00 C ATOM 1109 O ALA A 98 -19.449 -1.307 -14.851 1.00 0.00 O ATOM 1110 CB ALA A 98 -18.955 -3.339 -12.798 1.00 0.00 C ATOM 0 H ALA A 98 -16.725 -2.912 -13.791 1.00 0.00 H new ATOM 0 HA ALA A 98 -18.966 -4.513 -14.587 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -20.023 -3.459 -12.614 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.403 -4.092 -12.236 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.641 -2.345 -12.478 1.00 0.00 H new ATOM 1116 N ALA A 99 -20.250 -3.026 -16.064 1.00 0.00 N ATOM 1117 CA ALA A 99 -21.085 -2.182 -16.911 1.00 0.00 C ATOM 1118 C ALA A 99 -20.270 -1.053 -17.533 1.00 0.00 C ATOM 1119 O ALA A 99 -20.804 0.012 -17.840 1.00 0.00 O ATOM 1120 CB ALA A 99 -22.248 -1.617 -16.109 1.00 0.00 C ATOM 0 H ALA A 99 -20.299 -4.022 -16.281 1.00 0.00 H new ATOM 0 HA ALA A 99 -21.481 -2.797 -17.719 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -22.863 -0.989 -16.753 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -22.851 -2.436 -15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -21.864 -1.021 -15.281 1.00 0.00 H new ATOM 1126 N ASN A 100 -18.976 -1.294 -17.716 1.00 0.00 N ATOM 1127 CA ASN A 100 -18.089 -0.295 -18.301 1.00 0.00 C ATOM 1128 C ASN A 100 -18.406 1.096 -17.763 1.00 0.00 C ATOM 1129 O ASN A 100 -18.392 2.078 -18.505 1.00 0.00 O ATOM 1130 CB ASN A 100 -18.210 -0.306 -19.826 1.00 0.00 C ATOM 1131 CG ASN A 100 -19.624 -0.024 -20.294 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -20.276 -1.038 -20.851 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -20.125 1.093 -20.158 1.00 0.00 N flip ATOM 0 H ASN A 100 -18.519 -2.171 -17.468 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.065 -0.547 -18.023 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -17.535 0.439 -20.247 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.891 -1.276 -20.206 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -19.588 1.844 -19.724 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -21.077 1.267 -20.479 1.00 0.00 H new ATOM 1139 N ASN A 101 -18.689 1.174 -16.467 1.00 0.00 N ATOM 1140 CA ASN A 101 -19.009 2.446 -15.829 1.00 0.00 C ATOM 1141 C ASN A 101 -17.786 3.355 -15.784 1.00 0.00 C ATOM 1142 O ASN A 101 -16.649 2.893 -15.893 1.00 0.00 O ATOM 1143 CB ASN A 101 -19.537 2.210 -14.413 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.043 2.030 -14.378 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -21.737 2.324 -15.352 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -21.554 1.543 -13.253 1.00 0.00 N ATOM 0 H ASN A 101 -18.703 0.371 -15.838 1.00 0.00 H new ATOM 0 HA ASN A 101 -19.782 2.937 -16.420 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.059 1.325 -13.993 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.260 3.053 -13.780 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.560 1.398 -13.171 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.940 1.313 -12.471 1.00 0.00 H new ATOM 1152 N THR A 102 -18.025 4.654 -15.622 1.00 0.00 N ATOM 1153 CA THR A 102 -16.944 5.628 -15.562 1.00 0.00 C ATOM 1154 C THR A 102 -17.227 6.701 -14.518 1.00 0.00 C ATOM 1155 O THR A 102 -18.347 6.818 -14.022 1.00 0.00 O ATOM 1156 CB THR A 102 -16.722 6.304 -16.929 1.00 0.00 C ATOM 1157 OG1 THR A 102 -17.190 5.452 -17.979 1.00 0.00 O ATOM 1158 CG2 THR A 102 -15.248 6.618 -17.144 1.00 0.00 C ATOM 0 H THR A 102 -18.959 5.054 -15.530 1.00 0.00 H new ATOM 0 HA THR A 102 -16.042 5.083 -15.283 1.00 0.00 H new ATOM 0 HB THR A 102 -17.283 7.238 -16.943 1.00 0.00 H new ATOM 0 HG1 THR A 102 -17.047 5.890 -18.844 1.00 0.00 H new ATOM 0 HG21 THR A 102 -15.115 7.095 -18.115 1.00 0.00 H new ATOM 0 HG22 THR A 102 -14.901 7.290 -16.359 1.00 0.00 H new ATOM 0 HG23 THR A 102 -14.671 5.694 -17.111 1.00 0.00 H new ATOM 1166 N GLY A 103 -16.204 7.485 -14.188 1.00 0.00 N ATOM 1167 CA GLY A 103 -16.366 8.539 -13.204 1.00 0.00 C ATOM 1168 C GLY A 103 -16.237 8.029 -11.782 1.00 0.00 C ATOM 1169 O GLY A 103 -15.389 7.183 -11.492 1.00 0.00 O ATOM 0 H GLY A 103 -15.267 7.409 -14.584 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.618 9.313 -13.378 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -17.343 9.005 -13.332 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.077 8.546 -10.891 1.00 0.00 N ATOM 1174 CA VAL A 104 -17.053 8.138 -9.492 1.00 0.00 C ATOM 1175 C VAL A 104 -18.168 7.143 -9.189 1.00 0.00 C ATOM 1176 O VAL A 104 -19.313 7.335 -9.598 1.00 0.00 O ATOM 1177 CB VAL A 104 -17.194 9.350 -8.551 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -17.146 8.907 -7.097 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -16.109 10.377 -8.841 1.00 0.00 C ATOM 0 H VAL A 104 -17.783 9.248 -11.113 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.088 7.662 -9.319 1.00 0.00 H new ATOM 0 HB VAL A 104 -18.162 9.817 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -17.247 9.777 -6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -17.962 8.212 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -16.194 8.415 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -16.223 11.227 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.129 9.924 -8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.197 10.717 -9.873 1.00 0.00 H new ATOM 1189 N TYR A 105 -17.824 6.080 -8.471 1.00 0.00 N ATOM 1190 CA TYR A 105 -18.796 5.051 -8.116 1.00 0.00 C ATOM 1191 C TYR A 105 -18.530 4.513 -6.713 1.00 0.00 C ATOM 1192 O TYR A 105 -17.380 4.304 -6.325 1.00 0.00 O ATOM 1193 CB TYR A 105 -18.755 3.908 -9.130 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.110 3.303 -9.417 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -21.129 4.065 -9.974 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.371 1.968 -9.130 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -22.370 3.515 -10.236 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -21.608 1.411 -9.388 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.603 2.189 -9.942 1.00 0.00 C ATOM 1200 OH TYR A 105 -23.838 1.637 -10.204 1.00 0.00 O ATOM 0 H TYR A 105 -16.881 5.908 -8.123 1.00 0.00 H new ATOM 0 HA TYR A 105 -19.788 5.503 -8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.326 4.276 -10.062 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -18.090 3.128 -8.759 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -20.949 5.104 -10.206 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -19.593 1.356 -8.698 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -23.152 4.121 -10.669 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -21.795 0.373 -9.157 1.00 0.00 H new ATOM 0 HH TYR A 105 -23.837 0.693 -9.940 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.601 4.289 -5.960 1.00 0.00 N ATOM 1210 CA ILE A 106 -19.484 3.772 -4.602 1.00 0.00 C ATOM 1211 C ILE A 106 -20.389 2.562 -4.394 1.00 0.00 C ATOM 1212 O ILE A 106 -21.536 2.547 -4.844 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.836 4.848 -3.558 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -19.113 6.157 -3.878 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -19.480 4.367 -2.160 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -19.444 7.281 -2.921 1.00 0.00 C ATOM 0 H ILE A 106 -20.559 4.457 -6.267 1.00 0.00 H new ATOM 0 HA ILE A 106 -18.445 3.472 -4.467 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.910 5.031 -3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.037 5.982 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.370 6.466 -4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -19.735 5.139 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -20.038 3.458 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -18.411 4.159 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -18.895 8.178 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -20.514 7.484 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -19.161 6.992 -1.909 1.00 0.00 H new ATOM 1227 N LEU A 107 -19.869 1.550 -3.709 1.00 0.00 N ATOM 1228 CA LEU A 107 -20.629 0.336 -3.440 1.00 0.00 C ATOM 1229 C LEU A 107 -20.738 0.084 -1.939 1.00 0.00 C ATOM 1230 O LEU A 107 -20.103 0.767 -1.135 1.00 0.00 O ATOM 1231 CB LEU A 107 -19.972 -0.865 -4.124 1.00 0.00 C ATOM 1232 CG LEU A 107 -20.382 -1.115 -5.575 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -19.484 -2.167 -6.210 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -21.842 -1.541 -5.652 1.00 0.00 C ATOM 0 H LEU A 107 -18.922 1.547 -3.329 1.00 0.00 H new ATOM 0 HA LEU A 107 -21.633 0.470 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.891 -0.731 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -20.200 -1.759 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 107 -20.266 -0.184 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -19.791 -2.332 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.450 -1.823 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -19.567 -3.100 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -22.116 -1.715 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -21.984 -2.459 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -22.473 -0.755 -5.237 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.767 -7.900 1.325 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.337 -7.619 1.291 1.00 0.00 C ATOM 1308 C GLN A 113 -8.818 -7.604 -0.143 1.00 0.00 C ATOM 1309 O GLN A 113 -8.800 -8.634 -0.818 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.573 -8.659 2.112 1.00 0.00 C ATOM 1311 CG GLN A 113 -9.207 -8.955 3.462 1.00 0.00 C ATOM 1312 CD GLN A 113 -10.217 -10.083 3.398 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -10.116 -10.974 2.554 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -11.198 -10.051 4.292 1.00 0.00 N ATOM 0 HA GLN A 113 -9.176 -6.633 1.726 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.508 -9.585 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.553 -8.308 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -8.426 -9.212 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.696 -8.055 3.834 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.243 -9.293 4.973 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.907 -10.784 4.298 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.399 -6.430 -0.602 1.00 0.00 N ATOM 1322 CA TYR A 114 -7.882 -6.281 -1.957 1.00 0.00 C ATOM 1323 C TYR A 114 -6.733 -5.280 -1.995 1.00 0.00 C ATOM 1324 O TYR A 114 -5.567 -5.659 -2.113 1.00 0.00 O ATOM 1325 CB TYR A 114 -8.997 -5.831 -2.903 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.127 -6.827 -3.025 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -9.920 -8.077 -3.595 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -11.404 -6.519 -2.569 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -10.950 -8.991 -3.709 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -12.440 -7.426 -2.678 1.00 0.00 C ATOM 1331 CZ TYR A 114 -12.207 -8.660 -3.249 1.00 0.00 C ATOM 1332 OH TYR A 114 -13.237 -9.568 -3.359 1.00 0.00 O ATOM 0 H TYR A 114 -8.407 -5.568 -0.056 1.00 0.00 H new ATOM 0 HA TYR A 114 -7.505 -7.250 -2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -9.398 -4.880 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.573 -5.652 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -8.936 -8.339 -3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -11.589 -5.554 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.772 -9.958 -4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.426 -7.171 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 114 -14.056 -9.180 -2.987 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.069 -3.998 -1.895 1.00 0.00 N ATOM 1342 CA ASP A 115 -6.066 -2.940 -1.916 1.00 0.00 C ATOM 1343 C ASP A 115 -6.432 -1.825 -0.942 1.00 0.00 C ATOM 1344 O ASP A 115 -7.417 -1.923 -0.209 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.920 -2.374 -3.330 1.00 0.00 C ATOM 1346 CG ASP A 115 -5.325 -3.377 -4.297 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -4.215 -3.880 -4.022 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -5.966 -3.657 -5.332 1.00 0.00 O ATOM 0 H ASP A 115 -8.029 -3.667 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.113 -3.370 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.898 -2.058 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.289 -1.486 -3.299 1.00 0.00 H new ATOM 1352 N THR A 116 -5.633 -0.762 -0.940 1.00 0.00 N ATOM 1353 CA THR A 116 -5.872 0.372 -0.055 1.00 0.00 C ATOM 1354 C THR A 116 -5.150 1.618 -0.553 1.00 0.00 C ATOM 1355 O THR A 116 -3.999 1.551 -0.984 1.00 0.00 O ATOM 1356 CB THR A 116 -5.415 0.066 1.384 1.00 0.00 C ATOM 1357 OG1 THR A 116 -5.733 1.167 2.243 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.919 -0.203 1.432 1.00 0.00 C ATOM 0 H THR A 116 -4.815 -0.663 -1.541 1.00 0.00 H new ATOM 0 HA THR A 116 -6.947 0.554 -0.055 1.00 0.00 H new ATOM 0 HB THR A 116 -5.940 -0.826 1.726 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.019 1.283 2.904 1.00 0.00 H new ATOM 0 HG21 THR A 116 -3.620 -0.416 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.683 -1.059 0.800 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.380 0.673 1.072 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.831 2.756 -0.487 1.00 0.00 N ATOM 1367 CA TYR A 117 -5.254 4.019 -0.932 1.00 0.00 C ATOM 1368 C TYR A 117 -4.753 4.837 0.253 1.00 0.00 C ATOM 1369 O TYR A 117 -5.322 4.787 1.344 1.00 0.00 O ATOM 1370 CB TYR A 117 -6.287 4.825 -1.722 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.892 4.065 -2.881 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -6.107 3.256 -3.692 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -8.250 4.155 -3.162 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.655 2.561 -4.753 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.808 3.462 -4.220 1.00 0.00 C ATOM 1376 CZ TYR A 117 -8.006 2.667 -5.012 1.00 0.00 C ATOM 1377 OH TYR A 117 -8.557 1.974 -6.065 1.00 0.00 O ATOM 0 H TYR A 117 -6.783 2.830 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.406 3.794 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.084 5.137 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.816 5.732 -2.100 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -5.050 3.169 -3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.880 4.777 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -6.030 1.939 -5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.865 3.543 -4.425 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.026 1.183 -5.726 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.680 5.591 0.031 1.00 0.00 N ATOM 1387 CA CYS A 118 -3.099 6.421 1.080 1.00 0.00 C ATOM 1388 C CYS A 118 -2.812 7.827 0.564 1.00 0.00 C ATOM 1389 O CYS A 118 -2.494 8.017 -0.611 1.00 0.00 O ATOM 1390 CB CYS A 118 -1.809 5.786 1.606 1.00 0.00 C ATOM 1391 SG CYS A 118 -2.061 4.204 2.474 1.00 0.00 S ATOM 0 H CYS A 118 -3.196 5.644 -0.865 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.820 6.492 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -1.128 5.625 0.770 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.322 6.487 2.284 1.00 0.00 H new ATOM 1395 N PHE A 119 -2.926 8.811 1.450 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.680 10.202 1.084 1.00 0.00 C ATOM 1397 C PHE A 119 -1.576 10.804 1.946 1.00 0.00 C ATOM 1398 O PHE A 119 -1.567 10.640 3.166 1.00 0.00 O ATOM 1399 CB PHE A 119 -3.963 11.024 1.229 1.00 0.00 C ATOM 1400 CG PHE A 119 -3.742 12.505 1.105 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.409 13.068 -0.118 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -3.869 13.333 2.208 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.205 14.431 -0.235 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -3.667 14.696 2.095 1.00 0.00 C ATOM 1405 CZ PHE A 119 -3.335 15.244 0.873 1.00 0.00 C ATOM 0 H PHE A 119 -3.187 8.672 2.426 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.357 10.226 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -4.677 10.706 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.414 10.812 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.308 12.436 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.129 12.909 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.944 14.859 -1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.769 15.331 2.962 1.00 0.00 H new ATOM 0 HZ PHE A 119 -3.177 16.309 0.783 1.00 0.00 H new ATOM 1414 N ASN A 120 -0.645 11.502 1.304 1.00 0.00 N ATOM 1415 CA ASN A 120 0.466 12.128 2.010 1.00 0.00 C ATOM 1416 C ASN A 120 0.452 13.641 1.815 1.00 0.00 C ATOM 1417 O ASN A 120 0.225 14.131 0.709 1.00 0.00 O ATOM 1418 CB ASN A 120 1.797 11.551 1.526 1.00 0.00 C ATOM 1419 CG ASN A 120 2.925 11.788 2.512 1.00 0.00 C ATOM 1420 OD1 ASN A 120 3.167 12.918 2.934 1.00 0.00 O ATOM 1421 ND2 ASN A 120 3.619 10.718 2.883 1.00 0.00 N ATOM 0 H ASN A 120 -0.638 11.648 0.295 1.00 0.00 H new ATOM 0 HA ASN A 120 0.353 11.916 3.073 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.685 10.480 1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 120 2.057 11.999 0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.389 10.814 3.545 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.382 9.800 2.506 1.00 0.00 H new ATOM 1427 N ALA A 121 0.697 14.375 2.895 1.00 0.00 N ATOM 1428 CA ALA A 121 0.717 15.831 2.842 1.00 0.00 C ATOM 1429 C ALA A 121 2.135 16.356 2.655 1.00 0.00 C ATOM 1430 O ALA A 121 2.480 17.433 3.141 1.00 0.00 O ATOM 1431 CB ALA A 121 0.099 16.413 4.106 1.00 0.00 C ATOM 0 H ALA A 121 0.885 13.984 3.818 1.00 0.00 H new ATOM 0 HA ALA A 121 0.126 16.146 1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.120 17.502 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.933 16.074 4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.667 16.081 4.975 1.00 0.00 H new ATOM 1437 N SER A 122 2.956 15.587 1.945 1.00 0.00 N ATOM 1438 CA SER A 122 4.341 15.972 1.697 1.00 0.00 C ATOM 1439 C SER A 122 4.495 16.576 0.304 1.00 0.00 C ATOM 1440 O SER A 122 4.682 17.783 0.156 1.00 0.00 O ATOM 1441 CB SER A 122 5.264 14.762 1.846 1.00 0.00 C ATOM 1442 OG SER A 122 6.599 15.094 1.505 1.00 0.00 O ATOM 0 H SER A 122 2.686 14.694 1.532 1.00 0.00 H new ATOM 0 HA SER A 122 4.621 16.725 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.228 14.397 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.913 13.952 1.207 1.00 0.00 H new ATOM 0 HG SER A 122 7.203 14.795 2.217 1.00 0.00 H new ATOM 1447 N ALA A 123 4.415 15.726 -0.714 1.00 0.00 N ATOM 1448 CA ALA A 123 4.544 16.173 -2.096 1.00 0.00 C ATOM 1449 C ALA A 123 3.440 17.163 -2.456 1.00 0.00 C ATOM 1450 O ALA A 123 2.376 17.195 -1.839 1.00 0.00 O ATOM 1451 CB ALA A 123 4.517 14.982 -3.041 1.00 0.00 C ATOM 0 H ALA A 123 4.261 14.723 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 123 5.502 16.682 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 123 4.614 15.331 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 123 5.344 14.312 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.574 14.448 -2.927 1.00 0.00 H new ATOM 1457 N PRO A 124 3.699 17.990 -3.480 1.00 0.00 N ATOM 1458 CA PRO A 124 2.740 18.996 -3.947 1.00 0.00 C ATOM 1459 C PRO A 124 1.529 18.370 -4.630 1.00 0.00 C ATOM 1460 O PRO A 124 1.536 17.197 -5.005 1.00 0.00 O ATOM 1461 CB PRO A 124 3.551 19.822 -4.946 1.00 0.00 C ATOM 1462 CG PRO A 124 4.617 18.899 -5.427 1.00 0.00 C ATOM 1463 CD PRO A 124 4.947 18.007 -4.261 1.00 0.00 C ATOM 0 HA PRO A 124 2.330 19.581 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.928 20.170 -5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.978 20.707 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 124 4.272 18.315 -6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.496 19.454 -5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 124 5.230 17.006 -4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.780 18.399 -3.678 1.00 0.00 H new ATOM 1468 N PRO A 125 0.465 19.169 -4.798 1.00 0.00 N ATOM 1469 CA PRO A 125 -0.772 18.712 -5.438 1.00 0.00 C ATOM 1470 C PRO A 125 -0.596 18.471 -6.933 1.00 0.00 C ATOM 1471 O PRO A 125 -1.007 19.288 -7.756 1.00 0.00 O ATOM 1472 CB PRO A 125 -1.746 19.871 -5.196 1.00 0.00 C ATOM 1473 CG PRO A 125 -0.873 21.068 -5.031 1.00 0.00 C ATOM 1474 CD PRO A 125 0.387 20.577 -4.375 1.00 0.00 C ATOM 0 HA PRO A 125 -1.112 17.759 -5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -2.432 19.993 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.354 19.699 -4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.657 21.529 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.362 21.826 -4.418 1.00 0.00 H new ATOM 0 HD2 PRO A 125 1.258 21.144 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.337 20.669 -3.290 1.00 0.00 H new ATOM 1479 N GLU A 126 0.017 17.342 -7.277 1.00 0.00 N ATOM 1480 CA GLU A 126 0.248 16.994 -8.675 1.00 0.00 C ATOM 1481 C GLU A 126 0.717 15.547 -8.803 1.00 0.00 C ATOM 1482 O GLU A 126 0.851 14.837 -7.808 1.00 0.00 O ATOM 1483 CB GLU A 126 1.282 17.936 -9.293 1.00 0.00 C ATOM 1484 CG GLU A 126 2.514 18.139 -8.429 1.00 0.00 C ATOM 1485 CD GLU A 126 3.639 18.833 -9.171 1.00 0.00 C ATOM 1486 OE1 GLU A 126 3.343 19.689 -10.030 1.00 0.00 O ATOM 1487 OE2 GLU A 126 4.817 18.519 -8.894 1.00 0.00 O ATOM 0 H GLU A 126 0.362 16.654 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.694 17.101 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.589 17.540 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.815 18.903 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 126 2.245 18.728 -7.552 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.864 17.172 -8.069 1.00 0.00 H new ATOM 1492 N GLU A 127 0.965 15.120 -10.039 1.00 0.00 N ATOM 1493 CA GLU A 127 1.419 13.760 -10.298 1.00 0.00 C ATOM 1494 C GLU A 127 2.905 13.611 -9.982 1.00 0.00 C ATOM 1495 O GLU A 127 3.704 13.267 -10.853 1.00 0.00 O ATOM 1496 CB GLU A 127 1.156 13.381 -11.756 1.00 0.00 C ATOM 1497 CG GLU A 127 1.753 14.358 -12.757 1.00 0.00 C ATOM 1498 CD GLU A 127 0.723 15.322 -13.313 1.00 0.00 C ATOM 1499 OE1 GLU A 127 -0.258 14.855 -13.928 1.00 0.00 O ATOM 1500 OE2 GLU A 127 0.901 16.546 -13.134 1.00 0.00 O ATOM 0 H GLU A 127 0.859 15.696 -10.874 1.00 0.00 H new ATOM 0 HA GLU A 127 0.859 13.088 -9.648 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.563 12.388 -11.943 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.080 13.320 -11.918 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.552 14.923 -12.276 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.205 13.801 -13.578 1.00 0.00 H new ATOM 1505 N ASP A 128 3.266 13.873 -8.731 1.00 0.00 N ATOM 1506 CA ASP A 128 4.655 13.769 -8.299 1.00 0.00 C ATOM 1507 C ASP A 128 5.130 12.320 -8.343 1.00 0.00 C ATOM 1508 O ASP A 128 4.648 11.474 -7.589 1.00 0.00 O ATOM 1509 CB ASP A 128 4.815 14.328 -6.884 1.00 0.00 C ATOM 1510 CG ASP A 128 6.249 14.700 -6.567 1.00 0.00 C ATOM 1511 OD1 ASP A 128 6.923 15.270 -7.451 1.00 0.00 O ATOM 1512 OD2 ASP A 128 6.698 14.423 -5.436 1.00 0.00 O ATOM 0 H ASP A 128 2.617 14.159 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 128 5.268 14.355 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.181 15.207 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.467 13.588 -6.163 1.00 0.00 H new ATOM 1516 N CYS A 129 6.076 12.040 -9.233 1.00 0.00 N ATOM 1517 CA CYS A 129 6.617 10.694 -9.378 1.00 0.00 C ATOM 1518 C CYS A 129 7.903 10.534 -8.571 1.00 0.00 C ATOM 1519 O CYS A 129 8.750 9.700 -8.891 1.00 0.00 O ATOM 1520 CB CYS A 129 6.886 10.385 -10.852 1.00 0.00 C ATOM 1521 SG CYS A 129 5.441 9.729 -11.749 1.00 0.00 S ATOM 0 H CYS A 129 6.484 12.728 -9.865 1.00 0.00 H new ATOM 0 HA CYS A 129 5.878 9.990 -8.995 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.225 11.295 -11.347 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.700 9.663 -10.918 1.00 0.00 H new ATOM 1525 N THR A 130 8.041 11.339 -7.522 1.00 0.00 N ATOM 1526 CA THR A 130 9.223 11.288 -6.671 1.00 0.00 C ATOM 1527 C THR A 130 8.835 11.220 -5.198 1.00 0.00 C ATOM 1528 O THR A 130 7.718 11.574 -4.823 1.00 0.00 O ATOM 1529 CB THR A 130 10.130 12.512 -6.895 1.00 0.00 C ATOM 1530 OG1 THR A 130 9.540 13.674 -6.302 1.00 0.00 O ATOM 1531 CG2 THR A 130 10.356 12.753 -8.381 1.00 0.00 C ATOM 0 H THR A 130 7.349 12.034 -7.242 1.00 0.00 H new ATOM 0 HA THR A 130 9.771 10.386 -6.943 1.00 0.00 H new ATOM 0 HB THR A 130 11.093 12.314 -6.424 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.124 14.448 -6.448 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.999 13.623 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 130 10.832 11.878 -8.823 1.00 0.00 H new ATOM 0 HG23 THR A 130 9.399 12.931 -8.870 1.00 0.00 H new ATOM 1539 N SER A 131 9.766 10.764 -4.366 1.00 0.00 N ATOM 1540 CA SER A 131 9.521 10.647 -2.934 1.00 0.00 C ATOM 1541 C SER A 131 10.337 11.676 -2.156 1.00 0.00 C ATOM 1542 O SER A 131 11.408 12.097 -2.596 1.00 0.00 O ATOM 1543 CB SER A 131 9.864 9.236 -2.449 1.00 0.00 C ATOM 1544 OG SER A 131 9.985 9.198 -1.038 1.00 0.00 O ATOM 0 H SER A 131 10.697 10.469 -4.660 1.00 0.00 H new ATOM 0 HA SER A 131 8.463 10.838 -2.756 1.00 0.00 H new ATOM 0 HB2 SER A 131 9.089 8.539 -2.770 1.00 0.00 H new ATOM 0 HB3 SER A 131 10.797 8.908 -2.906 1.00 0.00 H new ATOM 0 HG SER A 131 10.203 8.286 -0.753 1.00 0.00 H new ATOM 1549 N VAL A 132 9.823 12.077 -0.999 1.00 0.00 N ATOM 1550 CA VAL A 132 10.503 13.056 -0.159 1.00 0.00 C ATOM 1551 C VAL A 132 10.148 12.861 1.311 1.00 0.00 C ATOM 1552 O VAL A 132 10.266 13.783 2.118 1.00 0.00 O ATOM 1553 CB VAL A 132 10.146 14.497 -0.575 1.00 0.00 C ATOM 1554 CG1 VAL A 132 10.786 14.840 -1.911 1.00 0.00 C ATOM 1555 CG2 VAL A 132 8.637 14.675 -0.635 1.00 0.00 C ATOM 0 H VAL A 132 8.938 11.739 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 132 11.573 12.900 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 132 10.540 15.182 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.523 15.861 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 132 11.869 14.754 -1.828 1.00 0.00 H new ATOM 0 HG13 VAL A 132 10.425 14.152 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 132 8.403 15.698 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 132 8.218 13.982 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 132 8.208 14.473 0.346 1.00 0.00 H new ATOM 1565 N THR A 133 9.711 11.652 1.652 1.00 0.00 N ATOM 1566 CA THR A 133 9.338 11.334 3.024 1.00 0.00 C ATOM 1567 C THR A 133 9.464 9.841 3.297 1.00 0.00 C ATOM 1568 O THR A 133 9.448 9.028 2.373 1.00 0.00 O ATOM 1569 CB THR A 133 7.895 11.780 3.332 1.00 0.00 C ATOM 1570 OG1 THR A 133 7.464 11.220 4.577 1.00 0.00 O ATOM 1571 CG2 THR A 133 6.948 11.353 2.221 1.00 0.00 C ATOM 0 H THR A 133 9.607 10.878 0.996 1.00 0.00 H new ATOM 0 HA THR A 133 10.026 11.878 3.672 1.00 0.00 H new ATOM 0 HB THR A 133 7.881 12.868 3.401 1.00 0.00 H new ATOM 0 HG1 THR A 133 6.646 11.671 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 133 5.936 11.679 2.461 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.262 11.806 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 133 6.967 10.267 2.124 1.00 0.00 H new ATOM 1579 N ASP A 134 9.589 9.485 4.571 1.00 0.00 N ATOM 1580 CA ASP A 134 9.717 8.086 4.966 1.00 0.00 C ATOM 1581 C ASP A 134 8.888 7.797 6.214 1.00 0.00 C ATOM 1582 O ASP A 134 8.657 8.682 7.038 1.00 0.00 O ATOM 1583 CB ASP A 134 11.184 7.738 5.220 1.00 0.00 C ATOM 1584 CG ASP A 134 11.947 7.473 3.936 1.00 0.00 C ATOM 1585 OD1 ASP A 134 11.725 6.408 3.324 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.765 8.332 3.544 1.00 0.00 O ATOM 0 H ASP A 134 9.604 10.146 5.348 1.00 0.00 H new ATOM 0 HA ASP A 134 9.342 7.467 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 134 11.660 8.556 5.760 1.00 0.00 H new ATOM 0 HB3 ASP A 134 11.240 6.858 5.861 1.00 0.00 H new ATOM 1590 N LEU A 135 8.444 6.552 6.347 1.00 0.00 N ATOM 1591 CA LEU A 135 7.641 6.144 7.494 1.00 0.00 C ATOM 1592 C LEU A 135 8.219 6.705 8.790 1.00 0.00 C ATOM 1593 O LEU A 135 9.406 7.016 8.885 1.00 0.00 O ATOM 1594 CB LEU A 135 7.566 4.619 7.574 1.00 0.00 C ATOM 1595 CG LEU A 135 8.820 3.862 7.131 1.00 0.00 C ATOM 1596 CD1 LEU A 135 9.887 3.916 8.212 1.00 0.00 C ATOM 1597 CD2 LEU A 135 8.478 2.419 6.788 1.00 0.00 C ATOM 0 H LEU A 135 8.627 5.807 5.674 1.00 0.00 H new ATOM 0 HA LEU A 135 6.636 6.544 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 135 7.342 4.340 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.728 4.284 6.963 1.00 0.00 H new ATOM 0 HG LEU A 135 9.215 4.344 6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 135 10.771 3.372 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 135 10.153 4.955 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.504 3.460 9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 135 9.381 1.896 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.058 1.926 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 135 7.749 2.401 5.978 1.00 0.00 H new ATOM 1608 N PRO A 136 7.361 6.836 9.812 1.00 0.00 N ATOM 1609 CA PRO A 136 7.764 7.357 11.122 1.00 0.00 C ATOM 1610 C PRO A 136 8.668 6.390 11.877 1.00 0.00 C ATOM 1611 O PRO A 136 8.233 5.718 12.811 1.00 0.00 O ATOM 1612 CB PRO A 136 6.434 7.530 11.859 1.00 0.00 C ATOM 1613 CG PRO A 136 5.511 6.556 11.212 1.00 0.00 C ATOM 1614 CD PRO A 136 5.931 6.484 9.769 1.00 0.00 C ATOM 0 HA PRO A 136 8.342 8.277 11.034 1.00 0.00 H new ATOM 0 HB2 PRO A 136 6.542 7.325 12.924 1.00 0.00 H new ATOM 0 HB3 PRO A 136 6.061 8.550 11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.580 5.578 11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.475 6.882 11.301 1.00 0.00 H new ATOM 0 HD2 PRO A 136 5.775 5.488 9.354 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.364 7.180 9.150 1.00 0.00 H new ATOM 1708 N THR A 144 9.081 -4.005 4.443 1.00 0.00 N ATOM 1709 CA THR A 144 9.815 -3.208 3.467 1.00 0.00 C ATOM 1710 C THR A 144 8.890 -2.700 2.367 1.00 0.00 C ATOM 1711 O THR A 144 7.853 -3.300 2.087 1.00 0.00 O ATOM 1712 CB THR A 144 10.959 -4.018 2.828 1.00 0.00 C ATOM 1713 OG1 THR A 144 11.416 -5.022 3.740 1.00 0.00 O ATOM 1714 CG2 THR A 144 12.115 -3.110 2.443 1.00 0.00 C ATOM 0 HA THR A 144 10.237 -2.359 4.004 1.00 0.00 H new ATOM 0 HB THR A 144 10.578 -4.495 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 144 10.682 -5.283 4.334 1.00 0.00 H new ATOM 0 HG21 THR A 144 12.911 -3.704 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.770 -2.365 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 144 12.495 -2.608 3.333 1.00 0.00 H new ATOM 1722 N ILE A 145 9.275 -1.590 1.746 1.00 0.00 N ATOM 1723 CA ILE A 145 8.480 -1.001 0.675 1.00 0.00 C ATOM 1724 C ILE A 145 9.351 -0.658 -0.530 1.00 0.00 C ATOM 1725 O ILE A 145 10.544 -0.381 -0.391 1.00 0.00 O ATOM 1726 CB ILE A 145 7.752 0.271 1.146 1.00 0.00 C ATOM 1727 CG1 ILE A 145 8.762 1.318 1.619 1.00 0.00 C ATOM 1728 CG2 ILE A 145 6.768 -0.064 2.257 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.769 2.575 0.775 1.00 0.00 C ATOM 0 H ILE A 145 10.131 -1.081 1.966 1.00 0.00 H new ATOM 0 HA ILE A 145 7.739 -1.746 0.386 1.00 0.00 H new ATOM 0 HB ILE A 145 7.195 0.686 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.540 1.585 2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.760 0.879 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.261 0.845 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.032 -0.779 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 145 7.305 -0.499 3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.508 3.273 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.021 2.321 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.782 3.038 0.803 1.00 0.00 H new ATOM 1740 N THR A 146 8.747 -0.673 -1.714 1.00 0.00 N ATOM 1741 CA THR A 146 9.466 -0.362 -2.943 1.00 0.00 C ATOM 1742 C THR A 146 8.702 0.653 -3.786 1.00 0.00 C ATOM 1743 O THR A 146 7.732 0.309 -4.462 1.00 0.00 O ATOM 1744 CB THR A 146 9.713 -1.628 -3.785 1.00 0.00 C ATOM 1745 OG1 THR A 146 8.465 -2.163 -4.242 1.00 0.00 O ATOM 1746 CG2 THR A 146 10.455 -2.680 -2.976 1.00 0.00 C ATOM 0 H THR A 146 7.761 -0.897 -1.848 1.00 0.00 H new ATOM 0 HA THR A 146 10.425 0.063 -2.648 1.00 0.00 H new ATOM 0 HB THR A 146 10.327 -1.353 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 146 7.998 -1.490 -4.780 1.00 0.00 H new ATOM 0 HG21 THR A 146 10.618 -3.565 -3.592 1.00 0.00 H new ATOM 0 HG22 THR A 146 11.416 -2.280 -2.654 1.00 0.00 H new ATOM 0 HG23 THR A 146 9.863 -2.951 -2.101 1.00 0.00 H new ATOM 1754 N ILE A 147 9.145 1.905 -3.740 1.00 0.00 N ATOM 1755 CA ILE A 147 8.504 2.970 -4.501 1.00 0.00 C ATOM 1756 C ILE A 147 9.163 3.146 -5.865 1.00 0.00 C ATOM 1757 O ILE A 147 10.270 2.660 -6.098 1.00 0.00 O ATOM 1758 CB ILE A 147 8.551 4.311 -3.743 1.00 0.00 C ATOM 1759 CG1 ILE A 147 10.000 4.762 -3.553 1.00 0.00 C ATOM 1760 CG2 ILE A 147 7.849 4.184 -2.400 1.00 0.00 C ATOM 1761 CD1 ILE A 147 10.241 6.202 -3.947 1.00 0.00 C ATOM 0 H ILE A 147 9.945 2.207 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 147 7.463 2.676 -4.639 1.00 0.00 H new ATOM 0 HB ILE A 147 8.030 5.065 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 147 10.280 4.628 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 147 10.653 4.118 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 147 7.890 5.139 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 147 6.808 3.902 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 147 8.345 3.420 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 147 11.289 6.453 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 147 9.993 6.338 -5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 147 9.614 6.855 -3.340 1.00 0.00 H new ATOM 1772 N VAL A 148 8.477 3.846 -6.762 1.00 0.00 N ATOM 1773 CA VAL A 148 8.996 4.089 -8.103 1.00 0.00 C ATOM 1774 C VAL A 148 10.029 5.209 -8.095 1.00 0.00 C ATOM 1775 O VAL A 148 9.882 6.199 -7.380 1.00 0.00 O ATOM 1776 CB VAL A 148 7.867 4.452 -9.086 1.00 0.00 C ATOM 1777 CG1 VAL A 148 8.445 4.963 -10.397 1.00 0.00 C ATOM 1778 CG2 VAL A 148 6.963 3.251 -9.324 1.00 0.00 C ATOM 0 H VAL A 148 7.560 4.255 -6.585 1.00 0.00 H new ATOM 0 HA VAL A 148 9.469 3.164 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 148 7.267 5.249 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 148 7.633 5.215 -11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 148 9.048 5.851 -10.207 1.00 0.00 H new ATOM 0 HG13 VAL A 148 9.069 4.190 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL A 148 6.171 3.524 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 148 7.548 2.432 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 148 6.522 2.935 -8.379 1.00 0.00 H new