USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 57 GLN : amide:sc= 0.493 K(o=1.1,f=-3.7!) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.605 K(o=1.1,f=-3.7!) USER MOD Set 2.1: A 19 ASN : amide:sc= 1.29 K(o=1.4,f=-1.1) USER MOD Set 2.2: A 31 GLN : amide:sc= 0.103 K(o=1.4,f=-0.24!) USER MOD Single : A 17 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.0037) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= 1.26 (180deg=0.493) USER MOD Single : A 25 GLN : amide:sc= 1.1 K(o=1.1,f=-1.3!) USER MOD Single : A 28 SER OG : rot -84:sc= 1.33 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc=-0.00884 X(o=-0.0088,f=-0.084) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 41 SER OG : rot -139:sc= 1.49 USER MOD Single : A 42 LYS NZ :NH3+ -119:sc= -0.185 (180deg=-1.67!) USER MOD Single : A 44 MET CE :methyl -174:sc= -0.24 (180deg=-0.312) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -39:sc= 0.246 USER MOD Single : A 51 GLN : amide:sc= -0.0328 K(o=-0.033,f=-2.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc=-0.00406 X(o=-0.0041,f=-0.038) USER MOD Single : A 68 ASN : amide:sc= 1.05 K(o=1,f=-0.0056) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 75 GLN : amide:sc= -0.0324 K(o=-0.032,f=-0.74) USER MOD Single : A 78 MET CE :methyl 176:sc= 0 (180deg=-0.0167) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.65) USER MOD Single : A 90 GLN : amide:sc= -0.638 K(o=-0.64,f=-2.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.102 USER MOD Single : B 357 ASN :FLIP amide:sc= 0.643 F(o=-0.38,f=0.64) USER MOD Single : B 358 ASN : amide:sc=-0.00226 X(o=-0.0023,f=-0.05) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -5.701 15.521 13.099 1.00 10.00 N ATOM 2 CA ASP A 16 -6.633 14.376 13.008 1.00 10.00 C ATOM 3 C ASP A 16 -6.043 13.287 12.128 1.00 10.00 C ATOM 4 O ASP A 16 -5.094 13.531 11.379 1.00 10.00 O ATOM 5 CB ASP A 16 -7.986 14.832 12.458 1.00 10.00 C ATOM 6 CG ASP A 16 -8.757 15.667 13.460 1.00 10.00 C ATOM 7 OD1 ASP A 16 -9.838 15.223 13.903 1.00 10.00 O ATOM 8 OD2 ASP A 16 -8.278 16.769 13.818 1.00 10.00 O ATOM 0 HA ASP A 16 -6.786 13.971 14.008 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -7.830 15.411 11.548 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.578 13.959 12.183 1.00 10.00 H new ATOM 13 N HIS A 17 -6.594 12.088 12.229 1.00 10.00 N ATOM 14 CA HIS A 17 -6.119 10.961 11.438 1.00 10.00 C ATOM 15 C HIS A 17 -7.088 10.666 10.300 1.00 10.00 C ATOM 16 O HIS A 17 -8.277 10.987 10.387 1.00 10.00 O ATOM 17 CB HIS A 17 -5.958 9.716 12.316 1.00 10.00 C ATOM 18 CG HIS A 17 -4.836 9.802 13.308 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.037 10.281 14.579 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.532 9.461 13.167 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.863 10.214 15.183 1.00 10.00 C ATOM 22 NE2 HIS A 17 -2.918 9.724 14.367 1.00 10.00 N ATOM 0 H HIS A 17 -7.372 11.869 12.851 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.148 11.225 11.020 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.890 9.542 12.853 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -5.794 8.851 11.673 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.065 9.059 12.280 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.687 10.516 16.205 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -1.935 9.576 14.594 1.00 10.00 H new ATOM 30 N ILE A 18 -6.584 10.058 9.238 1.00 10.00 N ATOM 31 CA ILE A 18 -7.410 9.720 8.091 1.00 10.00 C ATOM 32 C ILE A 18 -7.675 8.214 8.062 1.00 10.00 C ATOM 33 O ILE A 18 -6.792 7.413 8.371 1.00 10.00 O ATOM 34 CB ILE A 18 -6.762 10.185 6.763 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.711 9.943 5.586 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.430 9.488 6.529 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.252 10.580 4.292 1.00 10.00 C ATOM 0 H ILE A 18 -5.605 9.788 9.147 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.359 10.247 8.192 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.572 11.256 6.839 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.819 8.869 5.433 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.698 10.330 5.841 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -4.998 9.834 5.590 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.749 9.720 7.348 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.587 8.410 6.481 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -7.974 10.365 3.505 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.171 11.659 4.426 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.279 10.175 4.012 1.00 10.00 H new ATOM 49 N ASN A 19 -8.895 7.837 7.718 1.00 10.00 N ATOM 50 CA ASN A 19 -9.274 6.431 7.668 1.00 10.00 C ATOM 51 C ASN A 19 -9.151 5.884 6.253 1.00 10.00 C ATOM 52 O ASN A 19 -10.051 6.056 5.432 1.00 10.00 O ATOM 53 CB ASN A 19 -10.709 6.247 8.169 1.00 10.00 C ATOM 54 CG ASN A 19 -10.904 6.730 9.594 1.00 10.00 C ATOM 55 OD1 ASN A 19 -10.741 5.969 10.550 1.00 10.00 O ATOM 56 ND2 ASN A 19 -11.260 7.996 9.748 1.00 10.00 N ATOM 0 H ASN A 19 -9.643 8.485 7.468 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.594 5.878 8.316 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.390 6.787 7.511 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -10.977 5.192 8.108 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -11.409 8.374 10.684 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.385 8.594 8.931 1.00 10.00 H new ATOM 63 N LEU A 20 -8.033 5.241 5.962 1.00 10.00 N ATOM 64 CA LEU A 20 -7.810 4.663 4.644 1.00 10.00 C ATOM 65 C LEU A 20 -8.051 3.159 4.688 1.00 10.00 C ATOM 66 O LEU A 20 -7.421 2.449 5.467 1.00 10.00 O ATOM 67 CB LEU A 20 -6.386 4.956 4.163 1.00 10.00 C ATOM 68 CG LEU A 20 -6.056 6.439 3.967 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.583 6.621 3.643 1.00 10.00 C ATOM 70 CD2 LEU A 20 -6.920 7.040 2.866 1.00 10.00 C ATOM 0 H LEU A 20 -7.265 5.105 6.619 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.511 5.115 3.942 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.683 4.536 4.882 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.225 4.436 3.219 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.272 6.962 4.899 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.369 7.681 3.507 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -3.979 6.231 4.462 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.343 6.082 2.727 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.671 8.094 2.742 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.737 6.511 1.931 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -7.972 6.946 3.136 1.00 10.00 H new ATOM 82 N LYS A 21 -8.963 2.674 3.861 1.00 10.00 N ATOM 83 CA LYS A 21 -9.277 1.252 3.840 1.00 10.00 C ATOM 84 C LYS A 21 -8.582 0.554 2.678 1.00 10.00 C ATOM 85 O LYS A 21 -8.653 1.008 1.535 1.00 10.00 O ATOM 86 CB LYS A 21 -10.789 1.041 3.749 1.00 10.00 C ATOM 87 CG LYS A 21 -11.553 1.583 4.947 1.00 10.00 C ATOM 88 CD LYS A 21 -13.051 1.355 4.810 1.00 10.00 C ATOM 89 CE LYS A 21 -13.633 2.127 3.637 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.107 1.954 3.527 1.00 10.00 N ATOM 0 H LYS A 21 -9.496 3.238 3.199 1.00 10.00 H new ATOM 0 HA LYS A 21 -8.913 0.815 4.769 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -11.161 1.522 2.844 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -10.993 -0.025 3.651 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -11.193 1.101 5.856 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.355 2.650 5.052 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.246 0.291 4.678 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.551 1.659 5.730 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -13.400 3.186 3.750 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.160 1.793 2.714 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.345 1.594 2.581 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.432 1.277 4.246 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.576 2.870 3.677 1.00 10.00 H new ATOM 104 N VAL A 22 -7.904 -0.540 2.980 1.00 10.00 N ATOM 105 CA VAL A 22 -7.206 -1.312 1.966 1.00 10.00 C ATOM 106 C VAL A 22 -7.865 -2.675 1.819 1.00 10.00 C ATOM 107 O VAL A 22 -8.033 -3.401 2.804 1.00 10.00 O ATOM 108 CB VAL A 22 -5.713 -1.495 2.311 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.964 -2.108 1.140 1.00 10.00 C ATOM 110 CG2 VAL A 22 -5.086 -0.169 2.721 1.00 10.00 C ATOM 0 H VAL A 22 -7.822 -0.915 3.925 1.00 10.00 H new ATOM 0 HA VAL A 22 -7.267 -0.762 1.027 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.640 -2.178 3.157 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.913 -2.229 1.403 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.393 -3.082 0.903 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -5.048 -1.454 0.272 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -4.034 -0.323 2.960 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -5.172 0.543 1.900 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.603 0.223 3.597 1.00 10.00 H new ATOM 120 N ALA A 23 -8.248 -3.015 0.600 1.00 10.00 N ATOM 121 CA ALA A 23 -8.902 -4.283 0.338 1.00 10.00 C ATOM 122 C ALA A 23 -7.989 -5.222 -0.434 1.00 10.00 C ATOM 123 O ALA A 23 -7.355 -4.825 -1.413 1.00 10.00 O ATOM 124 CB ALA A 23 -10.201 -4.060 -0.424 1.00 10.00 C ATOM 0 H ALA A 23 -8.116 -2.429 -0.224 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.131 -4.749 1.296 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.681 -5.020 -0.614 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.867 -3.432 0.168 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -9.986 -3.568 -1.373 1.00 10.00 H new ATOM 130 N GLY A 24 -7.913 -6.460 0.029 1.00 10.00 N ATOM 131 CA GLY A 24 -7.092 -7.447 -0.636 1.00 10.00 C ATOM 132 C GLY A 24 -7.849 -8.142 -1.748 1.00 10.00 C ATOM 133 O GLY A 24 -8.916 -7.683 -2.161 1.00 10.00 O ATOM 0 H GLY A 24 -8.407 -6.798 0.855 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.203 -6.966 -1.045 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -6.750 -8.185 0.089 1.00 10.00 H new ATOM 137 N GLN A 25 -7.320 -9.258 -2.219 1.00 10.00 N ATOM 138 CA GLN A 25 -7.963 -10.006 -3.291 1.00 10.00 C ATOM 139 C GLN A 25 -8.946 -11.025 -2.718 1.00 10.00 C ATOM 140 O GLN A 25 -9.605 -11.753 -3.460 1.00 10.00 O ATOM 141 CB GLN A 25 -6.910 -10.705 -4.151 1.00 10.00 C ATOM 142 CG GLN A 25 -5.942 -9.747 -4.828 1.00 10.00 C ATOM 143 CD GLN A 25 -6.447 -9.251 -6.169 1.00 10.00 C ATOM 144 OE1 GLN A 25 -7.144 -9.968 -6.891 1.00 10.00 O ATOM 145 NE2 GLN A 25 -6.104 -8.020 -6.513 1.00 10.00 N ATOM 0 H GLN A 25 -6.450 -9.667 -1.879 1.00 10.00 H new ATOM 0 HA GLN A 25 -8.519 -9.308 -3.917 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -6.345 -11.398 -3.527 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -7.413 -11.300 -4.914 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -5.765 -8.894 -4.173 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -4.983 -10.246 -4.968 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -5.526 -7.458 -5.888 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -6.418 -7.633 -7.403 1.00 10.00 H new ATOM 154 N ASP A 26 -9.035 -11.067 -1.391 1.00 10.00 N ATOM 155 CA ASP A 26 -9.932 -11.993 -0.704 1.00 10.00 C ATOM 156 C ASP A 26 -11.050 -11.236 0.023 1.00 10.00 C ATOM 157 O ASP A 26 -11.993 -10.758 -0.610 1.00 10.00 O ATOM 158 CB ASP A 26 -9.151 -12.891 0.272 1.00 10.00 C ATOM 159 CG ASP A 26 -8.156 -12.129 1.132 1.00 10.00 C ATOM 160 OD1 ASP A 26 -6.991 -11.980 0.717 1.00 10.00 O ATOM 161 OD2 ASP A 26 -8.538 -11.682 2.233 1.00 10.00 O ATOM 0 H ASP A 26 -8.494 -10.468 -0.767 1.00 10.00 H new ATOM 0 HA ASP A 26 -10.394 -12.634 -1.455 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -9.857 -13.410 0.920 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -8.619 -13.655 -0.296 1.00 10.00 H new ATOM 166 N GLY A 27 -10.941 -11.115 1.342 1.00 10.00 N ATOM 167 CA GLY A 27 -11.951 -10.424 2.116 1.00 10.00 C ATOM 168 C GLY A 27 -11.361 -9.704 3.313 1.00 10.00 C ATOM 169 O GLY A 27 -12.051 -9.452 4.303 1.00 10.00 O ATOM 0 H GLY A 27 -10.165 -11.487 1.890 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -12.466 -9.705 1.479 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -12.698 -11.140 2.457 1.00 10.00 H new ATOM 173 N SER A 28 -10.078 -9.387 3.230 1.00 10.00 N ATOM 174 CA SER A 28 -9.396 -8.684 4.303 1.00 10.00 C ATOM 175 C SER A 28 -9.577 -7.181 4.129 1.00 10.00 C ATOM 176 O SER A 28 -9.192 -6.619 3.099 1.00 10.00 O ATOM 177 CB SER A 28 -7.906 -9.041 4.305 1.00 10.00 C ATOM 178 OG SER A 28 -7.468 -9.404 3.004 1.00 10.00 O ATOM 0 H SER A 28 -9.488 -9.607 2.428 1.00 10.00 H new ATOM 0 HA SER A 28 -9.827 -8.986 5.258 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.325 -8.191 4.664 1.00 10.00 H new ATOM 0 HB3 SER A 28 -7.727 -9.865 4.996 1.00 10.00 H new ATOM 0 HG SER A 28 -7.664 -10.351 2.845 1.00 10.00 H new ATOM 184 N VAL A 29 -10.187 -6.535 5.115 1.00 10.00 N ATOM 185 CA VAL A 29 -10.406 -5.097 5.046 1.00 10.00 C ATOM 186 C VAL A 29 -9.651 -4.396 6.164 1.00 10.00 C ATOM 187 O VAL A 29 -10.184 -4.169 7.249 1.00 10.00 O ATOM 188 CB VAL A 29 -11.903 -4.729 5.130 1.00 10.00 C ATOM 189 CG1 VAL A 29 -12.116 -3.274 4.733 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.732 -5.651 4.250 1.00 10.00 C ATOM 0 H VAL A 29 -10.536 -6.980 5.964 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.033 -4.764 4.078 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.231 -4.857 6.162 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -13.177 -3.031 4.798 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -11.554 -2.627 5.406 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -11.770 -3.121 3.711 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -13.784 -5.375 4.323 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.404 -5.558 3.215 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.603 -6.682 4.580 1.00 10.00 H new ATOM 200 N VAL A 30 -8.399 -4.075 5.902 1.00 10.00 N ATOM 201 CA VAL A 30 -7.572 -3.407 6.890 1.00 10.00 C ATOM 202 C VAL A 30 -7.804 -1.900 6.845 1.00 10.00 C ATOM 203 O VAL A 30 -7.830 -1.295 5.767 1.00 10.00 O ATOM 204 CB VAL A 30 -6.074 -3.730 6.680 1.00 10.00 C ATOM 205 CG1 VAL A 30 -5.826 -5.220 6.853 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.603 -3.279 5.309 1.00 10.00 C ATOM 0 H VAL A 30 -7.932 -4.265 5.015 1.00 10.00 H new ATOM 0 HA VAL A 30 -7.859 -3.778 7.874 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.504 -3.184 7.432 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.768 -5.433 6.702 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.117 -5.523 7.859 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.415 -5.774 6.122 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.546 -3.519 5.190 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.180 -3.791 4.539 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.744 -2.202 5.212 1.00 10.00 H new ATOM 216 N GLN A 31 -8.005 -1.297 8.006 1.00 10.00 N ATOM 217 CA GLN A 31 -8.239 0.137 8.072 1.00 10.00 C ATOM 218 C GLN A 31 -7.023 0.855 8.639 1.00 10.00 C ATOM 219 O GLN A 31 -6.671 0.690 9.808 1.00 10.00 O ATOM 220 CB GLN A 31 -9.480 0.451 8.909 1.00 10.00 C ATOM 221 CG GLN A 31 -9.871 1.921 8.885 1.00 10.00 C ATOM 222 CD GLN A 31 -11.349 2.138 9.149 1.00 10.00 C ATOM 223 OE1 GLN A 31 -12.188 1.319 8.771 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.680 3.243 9.798 1.00 10.00 N ATOM 0 H GLN A 31 -8.011 -1.773 8.908 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.411 0.495 7.057 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.316 -0.145 8.543 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.299 0.148 9.940 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.290 2.460 9.633 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -9.613 2.346 7.915 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.955 3.897 10.095 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -12.660 3.441 10.002 1.00 10.00 H new ATOM 233 N PHE A 32 -6.380 1.639 7.797 1.00 10.00 N ATOM 234 CA PHE A 32 -5.205 2.391 8.195 1.00 10.00 C ATOM 235 C PHE A 32 -5.601 3.769 8.698 1.00 10.00 C ATOM 236 O PHE A 32 -6.032 4.621 7.922 1.00 10.00 O ATOM 237 CB PHE A 32 -4.243 2.539 7.014 1.00 10.00 C ATOM 238 CG PHE A 32 -3.356 1.350 6.794 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.793 0.273 6.046 1.00 10.00 C ATOM 240 CD2 PHE A 32 -2.079 1.315 7.328 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.977 -0.821 5.833 1.00 10.00 C ATOM 242 CE2 PHE A 32 -1.256 0.225 7.121 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.704 -0.845 6.372 1.00 10.00 C ATOM 0 H PHE A 32 -6.654 1.773 6.824 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.709 1.846 8.998 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -4.822 2.720 6.108 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.620 3.419 7.175 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.786 0.287 5.622 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.722 2.150 7.913 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -3.333 -1.656 5.247 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.263 0.210 7.545 1.00 10.00 H new ATOM 0 HZ PHE A 32 -1.062 -1.698 6.208 1.00 10.00 H new ATOM 253 N LYS A 33 -5.466 3.981 9.995 1.00 10.00 N ATOM 254 CA LYS A 33 -5.791 5.267 10.585 1.00 10.00 C ATOM 255 C LYS A 33 -4.492 6.011 10.866 1.00 10.00 C ATOM 256 O LYS A 33 -3.996 6.038 11.993 1.00 10.00 O ATOM 257 CB LYS A 33 -6.617 5.089 11.862 1.00 10.00 C ATOM 258 CG LYS A 33 -7.263 6.375 12.357 1.00 10.00 C ATOM 259 CD LYS A 33 -8.108 6.139 13.597 1.00 10.00 C ATOM 260 CE LYS A 33 -8.742 7.428 14.089 1.00 10.00 C ATOM 261 NZ LYS A 33 -9.619 7.202 15.265 1.00 10.00 N ATOM 0 H LYS A 33 -5.134 3.281 10.658 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.399 5.848 9.892 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.396 4.348 11.680 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.975 4.690 12.647 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.488 7.109 12.579 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.885 6.797 11.568 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.887 5.410 13.375 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -7.488 5.712 14.386 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -7.959 8.140 14.352 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.324 7.877 13.284 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -10.032 8.107 15.569 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -10.381 6.543 15.008 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -9.059 6.798 16.043 1.00 10.00 H new ATOM 275 N ILE A 34 -3.935 6.584 9.813 1.00 10.00 N ATOM 276 CA ILE A 34 -2.672 7.300 9.897 1.00 10.00 C ATOM 277 C ILE A 34 -2.865 8.790 9.667 1.00 10.00 C ATOM 278 O ILE A 34 -3.981 9.254 9.436 1.00 10.00 O ATOM 279 CB ILE A 34 -1.665 6.757 8.856 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.184 6.983 7.430 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.411 5.278 9.098 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.170 6.663 6.354 1.00 10.00 C ATOM 0 H ILE A 34 -4.343 6.567 8.878 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.280 7.144 10.902 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.726 7.299 8.967 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.071 6.369 7.275 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.494 8.023 7.327 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.701 4.905 8.360 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.002 5.138 10.098 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.348 4.729 9.009 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.609 6.847 5.374 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.291 7.295 6.482 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.878 5.616 6.430 1.00 10.00 H new ATOM 294 N LYS A 35 -1.776 9.539 9.731 1.00 10.00 N ATOM 295 CA LYS A 35 -1.827 10.970 9.507 1.00 10.00 C ATOM 296 C LYS A 35 -1.826 11.244 8.010 1.00 10.00 C ATOM 297 O LYS A 35 -1.258 10.476 7.235 1.00 10.00 O ATOM 298 CB LYS A 35 -0.634 11.671 10.159 1.00 10.00 C ATOM 299 CG LYS A 35 -0.653 11.659 11.680 1.00 10.00 C ATOM 300 CD LYS A 35 0.485 12.495 12.243 1.00 10.00 C ATOM 301 CE LYS A 35 0.376 12.656 13.750 1.00 10.00 C ATOM 302 NZ LYS A 35 1.314 13.690 14.262 1.00 10.00 N ATOM 0 H LYS A 35 -0.845 9.176 9.937 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.739 11.360 9.958 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.284 11.195 9.815 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.604 12.705 9.816 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.606 12.047 12.039 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.570 10.634 12.041 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.437 12.026 11.996 1.00 10.00 H new ATOM 0 HD3 LYS A 35 0.482 13.478 11.771 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.646 12.929 14.014 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.586 11.702 14.234 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 1.211 13.772 15.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 2.291 13.417 14.032 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 1.097 14.605 13.819 1.00 10.00 H new ATOM 316 N ARG A 36 -2.447 12.339 7.605 1.00 10.00 N ATOM 317 CA ARG A 36 -2.510 12.698 6.192 1.00 10.00 C ATOM 318 C ARG A 36 -1.133 13.127 5.682 1.00 10.00 C ATOM 319 O ARG A 36 -0.924 13.288 4.479 1.00 10.00 O ATOM 320 CB ARG A 36 -3.532 13.816 5.978 1.00 10.00 C ATOM 321 CG ARG A 36 -4.470 13.570 4.805 1.00 10.00 C ATOM 322 CD ARG A 36 -5.713 14.440 4.889 1.00 10.00 C ATOM 323 NE ARG A 36 -6.667 14.131 3.823 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.913 14.608 3.774 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.375 15.384 4.745 1.00 10.00 N ATOM 326 NH2 ARG A 36 -8.697 14.283 2.757 1.00 10.00 N ATOM 0 H ARG A 36 -2.915 12.995 8.230 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.825 11.822 5.625 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -4.123 13.935 6.886 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -3.002 14.755 5.818 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -3.946 13.773 3.871 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -4.761 12.520 4.786 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.192 14.297 5.858 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -5.426 15.490 4.827 1.00 10.00 H new ATOM 0 HE ARG A 36 -6.361 13.513 3.071 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.777 15.621 5.537 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.328 15.744 4.700 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -8.348 13.672 2.019 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.650 14.643 2.712 1.00 10.00 H new ATOM 340 N HIS A 37 -0.198 13.297 6.612 1.00 10.00 N ATOM 341 CA HIS A 37 1.163 13.708 6.278 1.00 10.00 C ATOM 342 C HIS A 37 2.112 12.508 6.290 1.00 10.00 C ATOM 343 O HIS A 37 3.308 12.649 6.037 1.00 10.00 O ATOM 344 CB HIS A 37 1.679 14.764 7.269 1.00 10.00 C ATOM 345 CG HIS A 37 0.609 15.529 7.990 1.00 10.00 C ATOM 346 ND1 HIS A 37 0.328 15.287 9.315 1.00 10.00 N ATOM 347 CD2 HIS A 37 -0.208 16.509 7.539 1.00 10.00 C ATOM 348 CE1 HIS A 37 -0.646 16.123 9.637 1.00 10.00 C ATOM 349 NE2 HIS A 37 -1.002 16.881 8.593 1.00 10.00 N ATOM 0 H HIS A 37 -0.359 13.156 7.609 1.00 10.00 H new ATOM 0 HA HIS A 37 1.136 14.138 5.277 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.312 14.271 8.006 1.00 10.00 H new ATOM 0 HB3 HIS A 37 2.309 15.471 6.729 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -0.230 16.919 6.540 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -1.096 16.186 10.617 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -1.726 17.599 8.583 1.00 10.00 H new ATOM 357 N THR A 38 1.576 11.330 6.591 1.00 10.00 N ATOM 358 CA THR A 38 2.378 10.114 6.648 1.00 10.00 C ATOM 359 C THR A 38 2.532 9.494 5.258 1.00 10.00 C ATOM 360 O THR A 38 1.542 9.192 4.597 1.00 10.00 O ATOM 361 CB THR A 38 1.747 9.090 7.618 1.00 10.00 C ATOM 362 OG1 THR A 38 1.577 9.694 8.909 1.00 10.00 O ATOM 363 CG2 THR A 38 2.613 7.844 7.748 1.00 10.00 C ATOM 0 H THR A 38 0.587 11.192 6.800 1.00 10.00 H new ATOM 0 HA THR A 38 3.368 10.384 7.017 1.00 10.00 H new ATOM 0 HB THR A 38 0.779 8.791 7.216 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.175 9.045 9.523 1.00 10.00 H new ATOM 0 HG21 THR A 38 2.141 7.143 8.437 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.723 7.374 6.771 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.596 8.122 8.129 1.00 10.00 H new ATOM 371 N PRO A 39 3.784 9.313 4.793 1.00 10.00 N ATOM 372 CA PRO A 39 4.072 8.732 3.472 1.00 10.00 C ATOM 373 C PRO A 39 3.405 7.373 3.259 1.00 10.00 C ATOM 374 O PRO A 39 3.436 6.505 4.136 1.00 10.00 O ATOM 375 CB PRO A 39 5.594 8.582 3.472 1.00 10.00 C ATOM 376 CG PRO A 39 6.081 9.582 4.458 1.00 10.00 C ATOM 377 CD PRO A 39 5.020 9.669 5.519 1.00 10.00 C ATOM 0 HA PRO A 39 3.687 9.360 2.668 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.891 7.572 3.755 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.009 8.770 2.482 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.036 9.276 4.885 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.240 10.551 3.985 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.216 8.981 6.341 1.00 10.00 H new ATOM 0 HD3 PRO A 39 4.961 10.669 5.948 1.00 10.00 H new ATOM 385 N LEU A 40 2.832 7.186 2.074 1.00 10.00 N ATOM 386 CA LEU A 40 2.143 5.947 1.733 1.00 10.00 C ATOM 387 C LEU A 40 3.118 4.783 1.600 1.00 10.00 C ATOM 388 O LEU A 40 2.713 3.621 1.607 1.00 10.00 O ATOM 389 CB LEU A 40 1.354 6.118 0.436 1.00 10.00 C ATOM 390 CG LEU A 40 0.156 7.063 0.529 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.441 7.300 -0.849 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.894 6.500 1.475 1.00 10.00 C ATOM 0 H LEU A 40 2.832 7.883 1.329 1.00 10.00 H new ATOM 0 HA LEU A 40 1.454 5.718 2.546 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.029 6.486 -0.337 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.001 5.139 0.111 1.00 10.00 H new ATOM 0 HG LEU A 40 0.499 8.018 0.925 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.293 7.975 -0.765 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.312 7.745 -1.500 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.770 6.351 -1.271 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.740 7.185 1.529 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.234 5.532 1.106 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.461 6.378 2.468 1.00 10.00 H new ATOM 404 N SER A 41 4.401 5.102 1.484 1.00 10.00 N ATOM 405 CA SER A 41 5.436 4.086 1.366 1.00 10.00 C ATOM 406 C SER A 41 5.449 3.197 2.607 1.00 10.00 C ATOM 407 O SER A 41 5.587 1.975 2.513 1.00 10.00 O ATOM 408 CB SER A 41 6.795 4.760 1.187 1.00 10.00 C ATOM 409 OG SER A 41 6.659 6.173 1.231 1.00 10.00 O ATOM 0 H SER A 41 4.749 6.061 1.469 1.00 10.00 H new ATOM 0 HA SER A 41 5.227 3.463 0.497 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.477 4.430 1.970 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.234 4.460 0.235 1.00 10.00 H new ATOM 0 HG SER A 41 7.228 6.578 0.544 1.00 10.00 H new ATOM 415 N LYS A 42 5.268 3.820 3.767 1.00 10.00 N ATOM 416 CA LYS A 42 5.257 3.102 5.030 1.00 10.00 C ATOM 417 C LYS A 42 3.962 2.309 5.162 1.00 10.00 C ATOM 418 O LYS A 42 3.938 1.230 5.751 1.00 10.00 O ATOM 419 CB LYS A 42 5.423 4.082 6.197 1.00 10.00 C ATOM 420 CG LYS A 42 6.646 4.975 6.051 1.00 10.00 C ATOM 421 CD LYS A 42 6.933 5.764 7.318 1.00 10.00 C ATOM 422 CE LYS A 42 8.145 6.668 7.137 1.00 10.00 C ATOM 423 NZ LYS A 42 8.553 7.325 8.407 1.00 10.00 N ATOM 0 H LYS A 42 5.126 4.826 3.855 1.00 10.00 H new ATOM 0 HA LYS A 42 6.093 2.403 5.054 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.532 4.705 6.271 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.498 3.521 7.128 1.00 10.00 H new ATOM 0 HG2 LYS A 42 7.513 4.363 5.801 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.493 5.665 5.221 1.00 10.00 H new ATOM 0 HD2 LYS A 42 6.063 6.365 7.581 1.00 10.00 H new ATOM 0 HD3 LYS A 42 7.108 5.077 8.146 1.00 10.00 H new ATOM 0 HE2 LYS A 42 8.978 6.082 6.750 1.00 10.00 H new ATOM 0 HE3 LYS A 42 7.919 7.431 6.392 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 8.485 8.357 8.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 7.926 7.014 9.176 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.534 7.064 8.633 1.00 10.00 H new ATOM 437 N LEU A 43 2.894 2.843 4.579 1.00 10.00 N ATOM 438 CA LEU A 43 1.592 2.189 4.605 1.00 10.00 C ATOM 439 C LEU A 43 1.656 0.878 3.827 1.00 10.00 C ATOM 440 O LEU A 43 1.200 -0.164 4.298 1.00 10.00 O ATOM 441 CB LEU A 43 0.521 3.115 4.006 1.00 10.00 C ATOM 442 CG LEU A 43 -0.908 2.556 3.970 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.912 3.661 4.257 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.206 1.917 2.619 1.00 10.00 C ATOM 0 H LEU A 43 2.906 3.733 4.080 1.00 10.00 H new ATOM 0 HA LEU A 43 1.323 1.973 5.639 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.512 4.044 4.576 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.816 3.369 2.988 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.994 1.789 4.740 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.922 3.252 4.229 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.718 4.081 5.244 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.817 4.444 3.504 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.224 1.528 2.617 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.102 2.664 1.832 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.506 1.101 2.440 1.00 10.00 H new ATOM 456 N MET A 44 2.247 0.945 2.638 1.00 10.00 N ATOM 457 CA MET A 44 2.388 -0.225 1.781 1.00 10.00 C ATOM 458 C MET A 44 3.276 -1.273 2.445 1.00 10.00 C ATOM 459 O MET A 44 2.968 -2.466 2.431 1.00 10.00 O ATOM 460 CB MET A 44 2.976 0.175 0.424 1.00 10.00 C ATOM 461 CG MET A 44 2.046 1.032 -0.421 1.00 10.00 C ATOM 462 SD MET A 44 2.685 1.328 -2.083 1.00 10.00 S ATOM 463 CE MET A 44 4.063 2.422 -1.743 1.00 10.00 C ATOM 0 H MET A 44 2.637 1.802 2.246 1.00 10.00 H new ATOM 0 HA MET A 44 1.398 -0.654 1.624 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.906 0.719 0.588 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.228 -0.728 -0.132 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.074 0.544 -0.492 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.887 1.988 0.078 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.488 2.774 -2.683 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.715 3.275 -1.160 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.825 1.883 -1.179 1.00 10.00 H new ATOM 473 N LYS A 45 4.368 -0.816 3.048 1.00 10.00 N ATOM 474 CA LYS A 45 5.302 -1.710 3.717 1.00 10.00 C ATOM 475 C LYS A 45 4.674 -2.359 4.948 1.00 10.00 C ATOM 476 O LYS A 45 4.982 -3.504 5.270 1.00 10.00 O ATOM 477 CB LYS A 45 6.578 -0.964 4.113 1.00 10.00 C ATOM 478 CG LYS A 45 7.580 -0.841 2.977 1.00 10.00 C ATOM 479 CD LYS A 45 8.971 -0.511 3.493 1.00 10.00 C ATOM 480 CE LYS A 45 10.022 -0.668 2.405 1.00 10.00 C ATOM 481 NZ LYS A 45 11.402 -0.568 2.948 1.00 10.00 N ATOM 0 H LYS A 45 4.627 0.170 3.086 1.00 10.00 H new ATOM 0 HA LYS A 45 5.558 -2.500 3.010 1.00 10.00 H new ATOM 0 HB2 LYS A 45 6.313 0.033 4.464 1.00 10.00 H new ATOM 0 HB3 LYS A 45 7.049 -1.482 4.949 1.00 10.00 H new ATOM 0 HG2 LYS A 45 7.611 -1.775 2.416 1.00 10.00 H new ATOM 0 HG3 LYS A 45 7.254 -0.064 2.285 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.987 0.511 3.871 1.00 10.00 H new ATOM 0 HD3 LYS A 45 9.213 -1.164 4.331 1.00 10.00 H new ATOM 0 HE2 LYS A 45 9.894 -1.633 1.914 1.00 10.00 H new ATOM 0 HE3 LYS A 45 9.875 0.099 1.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 12.088 -0.680 2.175 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 11.533 0.362 3.395 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 11.552 -1.316 3.655 1.00 10.00 H new ATOM 495 N ALA A 46 3.789 -1.630 5.622 1.00 10.00 N ATOM 496 CA ALA A 46 3.121 -2.147 6.815 1.00 10.00 C ATOM 497 C ALA A 46 2.332 -3.412 6.494 1.00 10.00 C ATOM 498 O ALA A 46 2.474 -4.433 7.168 1.00 10.00 O ATOM 499 CB ALA A 46 2.204 -1.091 7.415 1.00 10.00 C ATOM 0 H ALA A 46 3.517 -0.681 5.364 1.00 10.00 H new ATOM 0 HA ALA A 46 3.888 -2.399 7.547 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.716 -1.495 8.302 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.790 -0.214 7.691 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.448 -0.807 6.683 1.00 10.00 H new ATOM 505 N TYR A 47 1.509 -3.341 5.453 1.00 10.00 N ATOM 506 CA TYR A 47 0.707 -4.484 5.036 1.00 10.00 C ATOM 507 C TYR A 47 1.606 -5.579 4.469 1.00 10.00 C ATOM 508 O TYR A 47 1.344 -6.771 4.643 1.00 10.00 O ATOM 509 CB TYR A 47 -0.332 -4.057 3.996 1.00 10.00 C ATOM 510 CG TYR A 47 -1.405 -5.098 3.741 1.00 10.00 C ATOM 511 CD1 TYR A 47 -1.519 -5.721 2.505 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.302 -5.458 4.741 1.00 10.00 C ATOM 513 CE1 TYR A 47 -2.497 -6.670 2.270 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.282 -6.408 4.513 1.00 10.00 C ATOM 515 CZ TYR A 47 -3.375 -7.009 3.279 1.00 10.00 C ATOM 516 OH TYR A 47 -4.352 -7.952 3.051 1.00 10.00 O ATOM 0 H TYR A 47 1.380 -2.505 4.884 1.00 10.00 H new ATOM 0 HA TYR A 47 0.182 -4.878 5.907 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -0.806 -3.133 4.328 1.00 10.00 H new ATOM 0 HB3 TYR A 47 0.176 -3.835 3.058 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.832 -5.460 1.714 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.233 -4.989 5.711 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.573 -7.143 1.302 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -3.971 -6.676 5.300 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.884 -8.075 3.865 1.00 10.00 H new ATOM 526 N CYS A 48 2.671 -5.155 3.803 1.00 10.00 N ATOM 527 CA CYS A 48 3.634 -6.071 3.205 1.00 10.00 C ATOM 528 C CYS A 48 4.297 -6.936 4.276 1.00 10.00 C ATOM 529 O CYS A 48 4.367 -8.161 4.146 1.00 10.00 O ATOM 530 CB CYS A 48 4.692 -5.271 2.444 1.00 10.00 C ATOM 531 SG CYS A 48 5.828 -6.277 1.469 1.00 10.00 S ATOM 0 H CYS A 48 2.892 -4.169 3.662 1.00 10.00 H new ATOM 0 HA CYS A 48 3.110 -6.731 2.514 1.00 10.00 H new ATOM 0 HB2 CYS A 48 4.190 -4.566 1.781 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.268 -4.682 3.158 1.00 10.00 H new ATOM 0 HG CYS A 48 6.122 -7.359 2.126 1.00 10.00 H new ATOM 537 N GLU A 49 4.775 -6.286 5.332 1.00 10.00 N ATOM 538 CA GLU A 49 5.433 -6.980 6.437 1.00 10.00 C ATOM 539 C GLU A 49 4.455 -7.886 7.167 1.00 10.00 C ATOM 540 O GLU A 49 4.825 -8.946 7.666 1.00 10.00 O ATOM 541 CB GLU A 49 6.030 -5.971 7.418 1.00 10.00 C ATOM 542 CG GLU A 49 7.220 -5.216 6.856 1.00 10.00 C ATOM 543 CD GLU A 49 8.367 -6.133 6.496 1.00 10.00 C ATOM 544 OE1 GLU A 49 9.106 -6.548 7.411 1.00 10.00 O ATOM 545 OE2 GLU A 49 8.530 -6.444 5.299 1.00 10.00 O ATOM 0 H GLU A 49 4.719 -5.274 5.447 1.00 10.00 H new ATOM 0 HA GLU A 49 6.233 -7.593 6.021 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.259 -5.256 7.707 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.336 -6.494 8.324 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.910 -4.662 5.970 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.560 -4.483 7.588 1.00 10.00 H new ATOM 552 N ARG A 50 3.206 -7.457 7.216 1.00 10.00 N ATOM 553 CA ARG A 50 2.158 -8.210 7.884 1.00 10.00 C ATOM 554 C ARG A 50 1.909 -9.549 7.196 1.00 10.00 C ATOM 555 O ARG A 50 1.775 -10.578 7.857 1.00 10.00 O ATOM 556 CB ARG A 50 0.876 -7.392 7.904 1.00 10.00 C ATOM 557 CG ARG A 50 -0.367 -8.226 8.122 1.00 10.00 C ATOM 558 CD ARG A 50 -1.599 -7.360 8.134 1.00 10.00 C ATOM 559 NE ARG A 50 -1.621 -6.469 9.291 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.733 -5.959 9.792 1.00 10.00 C ATOM 561 NH1 ARG A 50 -3.893 -6.249 9.228 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.692 -5.170 10.858 1.00 10.00 N ATOM 0 H ARG A 50 2.891 -6.582 6.797 1.00 10.00 H new ATOM 0 HA ARG A 50 2.482 -8.413 8.905 1.00 10.00 H new ATOM 0 HB2 ARG A 50 0.944 -6.643 8.693 1.00 10.00 H new ATOM 0 HB3 ARG A 50 0.783 -6.854 6.961 1.00 10.00 H new ATOM 0 HG2 ARG A 50 -0.451 -8.974 7.334 1.00 10.00 H new ATOM 0 HG3 ARG A 50 -0.287 -8.765 9.066 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -1.638 -6.769 7.219 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -2.488 -7.991 8.144 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.735 -6.228 9.734 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.925 -6.862 8.413 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -4.756 -5.860 9.608 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.798 -4.953 11.298 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.555 -4.781 11.238 1.00 10.00 H new ATOM 576 N GLN A 51 1.842 -9.531 5.871 1.00 10.00 N ATOM 577 CA GLN A 51 1.607 -10.749 5.109 1.00 10.00 C ATOM 578 C GLN A 51 2.907 -11.534 4.955 1.00 10.00 C ATOM 579 O GLN A 51 2.914 -12.644 4.428 1.00 10.00 O ATOM 580 CB GLN A 51 1.018 -10.418 3.731 1.00 10.00 C ATOM 581 CG GLN A 51 -0.308 -9.670 3.795 1.00 10.00 C ATOM 582 CD GLN A 51 -1.426 -10.496 4.406 1.00 10.00 C ATOM 583 OE1 GLN A 51 -1.602 -10.519 5.626 1.00 10.00 O ATOM 584 NE2 GLN A 51 -2.196 -11.169 3.566 1.00 10.00 N ATOM 0 H GLN A 51 1.947 -8.690 5.304 1.00 10.00 H new ATOM 0 HA GLN A 51 0.889 -11.363 5.652 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.737 -9.818 3.173 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.876 -11.344 3.174 1.00 10.00 H new ATOM 0 HG2 GLN A 51 -0.177 -8.758 4.378 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.596 -9.366 2.789 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.017 -11.124 2.563 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -2.968 -11.733 3.922 1.00 10.00 H new ATOM 593 N GLY A 52 4.001 -10.944 5.429 1.00 10.00 N ATOM 594 CA GLY A 52 5.297 -11.589 5.348 1.00 10.00 C ATOM 595 C GLY A 52 5.764 -11.766 3.920 1.00 10.00 C ATOM 596 O GLY A 52 6.431 -12.749 3.589 1.00 10.00 O ATOM 0 H GLY A 52 4.011 -10.024 5.870 1.00 10.00 H new ATOM 0 HA2 GLY A 52 6.030 -10.997 5.896 1.00 10.00 H new ATOM 0 HA3 GLY A 52 5.246 -12.563 5.834 1.00 10.00 H new ATOM 600 N LEU A 53 5.423 -10.806 3.076 1.00 10.00 N ATOM 601 CA LEU A 53 5.793 -10.861 1.672 1.00 10.00 C ATOM 602 C LEU A 53 6.793 -9.765 1.330 1.00 10.00 C ATOM 603 O LEU A 53 7.077 -8.888 2.150 1.00 10.00 O ATOM 604 CB LEU A 53 4.548 -10.728 0.789 1.00 10.00 C ATOM 605 CG LEU A 53 3.457 -11.776 1.033 1.00 10.00 C ATOM 606 CD1 LEU A 53 2.239 -11.491 0.165 1.00 10.00 C ATOM 607 CD2 LEU A 53 3.988 -13.180 0.765 1.00 10.00 C ATOM 0 H LEU A 53 4.889 -9.978 3.340 1.00 10.00 H new ATOM 0 HA LEU A 53 6.262 -11.826 1.483 1.00 10.00 H new ATOM 0 HB2 LEU A 53 4.118 -9.738 0.942 1.00 10.00 H new ATOM 0 HB3 LEU A 53 4.856 -10.784 -0.255 1.00 10.00 H new ATOM 0 HG LEU A 53 3.156 -11.719 2.079 1.00 10.00 H new ATOM 0 HD11 LEU A 53 1.475 -12.245 0.352 1.00 10.00 H new ATOM 0 HD12 LEU A 53 1.842 -10.505 0.407 1.00 10.00 H new ATOM 0 HD13 LEU A 53 2.527 -11.518 -0.886 1.00 10.00 H new ATOM 0 HD21 LEU A 53 3.197 -13.908 0.944 1.00 10.00 H new ATOM 0 HD22 LEU A 53 4.320 -13.252 -0.271 1.00 10.00 H new ATOM 0 HD23 LEU A 53 4.827 -13.385 1.430 1.00 10.00 H new ATOM 619 N SER A 54 7.317 -9.816 0.115 1.00 10.00 N ATOM 620 CA SER A 54 8.280 -8.831 -0.347 1.00 10.00 C ATOM 621 C SER A 54 7.556 -7.654 -0.991 1.00 10.00 C ATOM 622 O SER A 54 6.526 -7.834 -1.648 1.00 10.00 O ATOM 623 CB SER A 54 9.247 -9.467 -1.351 1.00 10.00 C ATOM 624 OG SER A 54 10.015 -8.483 -2.023 1.00 10.00 O ATOM 0 H SER A 54 7.089 -10.535 -0.572 1.00 10.00 H new ATOM 0 HA SER A 54 8.850 -8.470 0.509 1.00 10.00 H new ATOM 0 HB2 SER A 54 9.912 -10.157 -0.831 1.00 10.00 H new ATOM 0 HB3 SER A 54 8.685 -10.052 -2.079 1.00 10.00 H new ATOM 0 HG SER A 54 10.624 -8.919 -2.655 1.00 10.00 H new ATOM 630 N MET A 55 8.102 -6.458 -0.809 1.00 10.00 N ATOM 631 CA MET A 55 7.510 -5.247 -1.370 1.00 10.00 C ATOM 632 C MET A 55 7.572 -5.273 -2.895 1.00 10.00 C ATOM 633 O MET A 55 6.774 -4.631 -3.575 1.00 10.00 O ATOM 634 CB MET A 55 8.238 -4.013 -0.830 1.00 10.00 C ATOM 635 CG MET A 55 7.632 -2.691 -1.277 1.00 10.00 C ATOM 636 SD MET A 55 8.626 -1.271 -0.779 1.00 10.00 S ATOM 637 CE MET A 55 7.663 0.075 -1.469 1.00 10.00 C ATOM 0 H MET A 55 8.957 -6.299 -0.276 1.00 10.00 H new ATOM 0 HA MET A 55 6.463 -5.201 -1.072 1.00 10.00 H new ATOM 0 HB2 MET A 55 8.237 -4.051 0.259 1.00 10.00 H new ATOM 0 HB3 MET A 55 9.280 -4.050 -1.149 1.00 10.00 H new ATOM 0 HG2 MET A 55 7.525 -2.693 -2.362 1.00 10.00 H new ATOM 0 HG3 MET A 55 6.630 -2.594 -0.858 1.00 10.00 H new ATOM 0 HE1 MET A 55 8.150 1.024 -1.244 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.589 -0.047 -2.550 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.664 0.068 -1.033 1.00 10.00 H new ATOM 647 N ARG A 56 8.510 -6.043 -3.423 1.00 10.00 N ATOM 648 CA ARG A 56 8.684 -6.162 -4.861 1.00 10.00 C ATOM 649 C ARG A 56 7.736 -7.217 -5.429 1.00 10.00 C ATOM 650 O ARG A 56 7.594 -7.350 -6.646 1.00 10.00 O ATOM 651 CB ARG A 56 10.134 -6.531 -5.184 1.00 10.00 C ATOM 652 CG ARG A 56 10.538 -6.237 -6.619 1.00 10.00 C ATOM 653 CD ARG A 56 11.985 -6.615 -6.877 1.00 10.00 C ATOM 654 NE ARG A 56 12.395 -6.294 -8.240 1.00 10.00 N ATOM 655 CZ ARG A 56 13.163 -5.255 -8.563 1.00 10.00 C ATOM 656 NH1 ARG A 56 13.594 -4.415 -7.623 1.00 10.00 N ATOM 657 NH2 ARG A 56 13.498 -5.057 -9.830 1.00 10.00 N ATOM 0 H ARG A 56 9.166 -6.598 -2.873 1.00 10.00 H new ATOM 0 HA ARG A 56 8.450 -5.202 -5.321 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.796 -5.986 -4.511 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.282 -7.593 -4.985 1.00 10.00 H new ATOM 0 HG2 ARG A 56 9.890 -6.787 -7.301 1.00 10.00 H new ATOM 0 HG3 ARG A 56 10.395 -5.177 -6.829 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.629 -6.091 -6.171 1.00 10.00 H new ATOM 0 HD3 ARG A 56 12.119 -7.682 -6.699 1.00 10.00 H new ATOM 0 HE ARG A 56 12.073 -6.903 -8.992 1.00 10.00 H new ATOM 0 HH11 ARG A 56 13.336 -4.565 -6.648 1.00 10.00 H new ATOM 0 HH12 ARG A 56 14.182 -3.622 -7.879 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.168 -5.698 -10.551 1.00 10.00 H new ATOM 0 HH22 ARG A 56 14.086 -4.263 -10.084 1.00 10.00 H new ATOM 671 N GLN A 57 7.070 -7.946 -4.543 1.00 10.00 N ATOM 672 CA GLN A 57 6.148 -8.997 -4.955 1.00 10.00 C ATOM 673 C GLN A 57 4.728 -8.463 -5.139 1.00 10.00 C ATOM 674 O GLN A 57 3.997 -8.912 -6.022 1.00 10.00 O ATOM 675 CB GLN A 57 6.147 -10.125 -3.920 1.00 10.00 C ATOM 676 CG GLN A 57 5.189 -11.256 -4.251 1.00 10.00 C ATOM 677 CD GLN A 57 4.792 -12.061 -3.030 1.00 10.00 C ATOM 678 OE1 GLN A 57 5.577 -12.234 -2.095 1.00 10.00 O ATOM 679 NE2 GLN A 57 3.562 -12.552 -3.022 1.00 10.00 N ATOM 0 H GLN A 57 7.151 -7.829 -3.533 1.00 10.00 H new ATOM 0 HA GLN A 57 6.489 -9.380 -5.917 1.00 10.00 H new ATOM 0 HB2 GLN A 57 7.156 -10.529 -3.834 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.885 -9.712 -2.946 1.00 10.00 H new ATOM 0 HG2 GLN A 57 4.294 -10.844 -4.717 1.00 10.00 H new ATOM 0 HG3 GLN A 57 5.653 -11.918 -4.982 1.00 10.00 H new ATOM 0 HE21 GLN A 57 2.942 -12.387 -3.815 1.00 10.00 H new ATOM 0 HE22 GLN A 57 3.235 -13.095 -2.223 1.00 10.00 H new ATOM 688 N ILE A 58 4.339 -7.502 -4.316 1.00 10.00 N ATOM 689 CA ILE A 58 2.995 -6.943 -4.393 1.00 10.00 C ATOM 690 C ILE A 58 3.001 -5.545 -5.002 1.00 10.00 C ATOM 691 O ILE A 58 4.053 -4.924 -5.156 1.00 10.00 O ATOM 692 CB ILE A 58 2.321 -6.900 -3.006 1.00 10.00 C ATOM 693 CG1 ILE A 58 3.180 -6.111 -2.011 1.00 10.00 C ATOM 694 CG2 ILE A 58 2.072 -8.312 -2.496 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.560 -5.991 -0.634 1.00 10.00 C ATOM 0 H ILE A 58 4.929 -7.094 -3.591 1.00 10.00 H new ATOM 0 HA ILE A 58 2.420 -7.603 -5.043 1.00 10.00 H new ATOM 0 HB ILE A 58 1.361 -6.392 -3.104 1.00 10.00 H new ATOM 0 HG12 ILE A 58 4.153 -6.594 -1.921 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.356 -5.112 -2.409 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.596 -8.266 -1.516 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.420 -8.841 -3.192 1.00 10.00 H new ATOM 0 HG23 ILE A 58 3.021 -8.842 -2.414 1.00 10.00 H new ATOM 0 HD11 ILE A 58 3.224 -5.421 0.016 1.00 10.00 H new ATOM 0 HD12 ILE A 58 1.600 -5.480 -0.710 1.00 10.00 H new ATOM 0 HD13 ILE A 58 2.409 -6.986 -0.215 1.00 10.00 H new ATOM 707 N ARG A 59 1.819 -5.076 -5.373 1.00 10.00 N ATOM 708 CA ARG A 59 1.650 -3.752 -5.960 1.00 10.00 C ATOM 709 C ARG A 59 0.419 -3.084 -5.363 1.00 10.00 C ATOM 710 O ARG A 59 -0.535 -3.764 -4.984 1.00 10.00 O ATOM 711 CB ARG A 59 1.492 -3.842 -7.483 1.00 10.00 C ATOM 712 CG ARG A 59 2.737 -4.316 -8.216 1.00 10.00 C ATOM 713 CD ARG A 59 3.921 -3.387 -7.984 1.00 10.00 C ATOM 714 NE ARG A 59 5.081 -3.785 -8.776 1.00 10.00 N ATOM 715 CZ ARG A 59 5.923 -4.765 -8.436 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.771 -5.411 -7.284 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.929 -5.084 -9.240 1.00 10.00 N ATOM 0 H ARG A 59 0.950 -5.601 -5.276 1.00 10.00 H new ATOM 0 HA ARG A 59 2.539 -3.162 -5.738 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.670 -4.520 -7.711 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.211 -2.861 -7.866 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.994 -5.321 -7.883 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.528 -4.378 -9.284 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.638 -2.366 -8.240 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.184 -3.389 -6.926 1.00 10.00 H new ATOM 0 HE ARG A 59 5.260 -3.282 -9.645 1.00 10.00 H new ATOM 0 HH11 ARG A 59 5.009 -5.159 -6.655 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.417 -6.158 -7.029 1.00 10.00 H new ATOM 0 HH21 ARG A 59 7.060 -4.581 -10.118 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.572 -5.832 -8.980 1.00 10.00 H new ATOM 731 N PHE A 60 0.442 -1.762 -5.278 1.00 10.00 N ATOM 732 CA PHE A 60 -0.679 -1.012 -4.729 1.00 10.00 C ATOM 733 C PHE A 60 -1.211 -0.020 -5.755 1.00 10.00 C ATOM 734 O PHE A 60 -0.437 0.606 -6.485 1.00 10.00 O ATOM 735 CB PHE A 60 -0.256 -0.266 -3.460 1.00 10.00 C ATOM 736 CG PHE A 60 -0.318 -1.099 -2.211 1.00 10.00 C ATOM 737 CD1 PHE A 60 0.631 -2.073 -1.959 1.00 10.00 C ATOM 738 CD2 PHE A 60 -1.328 -0.900 -1.284 1.00 10.00 C ATOM 739 CE1 PHE A 60 0.574 -2.836 -0.807 1.00 10.00 C ATOM 740 CE2 PHE A 60 -1.390 -1.658 -0.131 1.00 10.00 C ATOM 741 CZ PHE A 60 -0.438 -2.628 0.108 1.00 10.00 C ATOM 0 H PHE A 60 1.226 -1.185 -5.583 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.469 -1.719 -4.477 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.762 0.101 -3.589 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.896 0.607 -3.334 1.00 10.00 H new ATOM 0 HD1 PHE A 60 1.426 -2.240 -2.670 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -2.076 -0.143 -1.465 1.00 10.00 H new ATOM 0 HE1 PHE A 60 1.321 -3.594 -0.624 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -2.183 -1.492 0.583 1.00 10.00 H new ATOM 0 HZ PHE A 60 -0.485 -3.223 1.008 1.00 10.00 H new ATOM 751 N ARG A 61 -2.531 0.119 -5.812 1.00 10.00 N ATOM 752 CA ARG A 61 -3.161 1.033 -6.754 1.00 10.00 C ATOM 753 C ARG A 61 -4.187 1.922 -6.062 1.00 10.00 C ATOM 754 O ARG A 61 -4.863 1.500 -5.120 1.00 10.00 O ATOM 755 CB ARG A 61 -3.833 0.258 -7.890 1.00 10.00 C ATOM 756 CG ARG A 61 -2.856 -0.349 -8.883 1.00 10.00 C ATOM 757 CD ARG A 61 -3.581 -1.027 -10.033 1.00 10.00 C ATOM 758 NE ARG A 61 -2.665 -1.774 -10.894 1.00 10.00 N ATOM 759 CZ ARG A 61 -3.050 -2.639 -11.833 1.00 10.00 C ATOM 760 NH1 ARG A 61 -4.340 -2.869 -12.051 1.00 10.00 N ATOM 761 NH2 ARG A 61 -2.138 -3.275 -12.557 1.00 10.00 N ATOM 0 H ARG A 61 -3.184 -0.390 -5.217 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.378 1.668 -7.168 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -4.443 -0.538 -7.463 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.509 0.927 -8.423 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -2.201 0.430 -9.273 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -2.221 -1.074 -8.374 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -4.338 -1.703 -9.636 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -4.104 -0.276 -10.625 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.664 -1.623 -10.768 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -5.045 -2.382 -11.498 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -4.625 -3.532 -12.771 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -1.146 -3.102 -12.394 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -2.429 -3.937 -13.276 1.00 10.00 H new ATOM 775 N PHE A 62 -4.282 3.152 -6.537 1.00 10.00 N ATOM 776 CA PHE A 62 -5.217 4.132 -6.014 1.00 10.00 C ATOM 777 C PHE A 62 -5.821 4.910 -7.173 1.00 10.00 C ATOM 778 O PHE A 62 -5.088 5.433 -8.015 1.00 10.00 O ATOM 779 CB PHE A 62 -4.513 5.089 -5.046 1.00 10.00 C ATOM 780 CG PHE A 62 -5.327 6.303 -4.696 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.362 6.217 -3.780 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.061 7.529 -5.288 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.116 7.330 -3.458 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.810 8.645 -4.970 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.840 8.545 -4.056 1.00 10.00 C ATOM 0 H PHE A 62 -3.707 3.501 -7.304 1.00 10.00 H new ATOM 0 HA PHE A 62 -6.006 3.617 -5.466 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -4.268 4.550 -4.130 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.570 5.410 -5.488 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.583 5.269 -3.312 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.259 7.612 -6.006 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.919 7.250 -2.740 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.590 9.594 -5.436 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.429 9.415 -3.809 1.00 10.00 H new ATOM 795 N ASP A 63 -7.150 4.962 -7.226 1.00 10.00 N ATOM 796 CA ASP A 63 -7.863 5.677 -8.290 1.00 10.00 C ATOM 797 C ASP A 63 -7.530 5.079 -9.659 1.00 10.00 C ATOM 798 O ASP A 63 -7.649 5.736 -10.692 1.00 10.00 O ATOM 799 CB ASP A 63 -7.519 7.173 -8.253 1.00 10.00 C ATOM 800 CG ASP A 63 -8.463 8.023 -9.084 1.00 10.00 C ATOM 801 OD1 ASP A 63 -9.695 7.854 -8.956 1.00 10.00 O ATOM 802 OD2 ASP A 63 -7.978 8.871 -9.865 1.00 10.00 O ATOM 0 H ASP A 63 -7.761 4.516 -6.542 1.00 10.00 H new ATOM 0 HA ASP A 63 -8.934 5.566 -8.123 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.542 7.519 -7.220 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -6.500 7.314 -8.614 1.00 10.00 H new ATOM 807 N GLY A 64 -7.111 3.816 -9.654 1.00 10.00 N ATOM 808 CA GLY A 64 -6.763 3.133 -10.886 1.00 10.00 C ATOM 809 C GLY A 64 -5.297 3.289 -11.254 1.00 10.00 C ATOM 810 O GLY A 64 -4.783 2.564 -12.109 1.00 10.00 O ATOM 0 H GLY A 64 -7.006 3.251 -8.811 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.997 2.073 -10.787 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -7.379 3.521 -11.697 1.00 10.00 H new ATOM 814 N GLN A 65 -4.619 4.216 -10.592 1.00 10.00 N ATOM 815 CA GLN A 65 -3.212 4.485 -10.862 1.00 10.00 C ATOM 816 C GLN A 65 -2.324 3.868 -9.784 1.00 10.00 C ATOM 817 O GLN A 65 -2.760 3.681 -8.652 1.00 10.00 O ATOM 818 CB GLN A 65 -2.982 5.997 -10.923 1.00 10.00 C ATOM 819 CG GLN A 65 -3.913 6.717 -11.886 1.00 10.00 C ATOM 820 CD GLN A 65 -3.672 6.332 -13.331 1.00 10.00 C ATOM 821 OE1 GLN A 65 -4.302 5.418 -13.861 1.00 10.00 O ATOM 822 NE2 GLN A 65 -2.755 7.032 -13.978 1.00 10.00 N ATOM 0 H GLN A 65 -5.023 4.799 -9.859 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.949 4.036 -11.820 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.111 6.416 -9.925 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -1.950 6.187 -11.218 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -4.946 6.492 -11.622 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -3.782 7.793 -11.775 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -2.255 7.782 -13.501 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -2.548 6.822 -14.954 1.00 10.00 H new ATOM 831 N PRO A 66 -1.070 3.521 -10.120 1.00 10.00 N ATOM 832 CA PRO A 66 -0.133 2.937 -9.156 1.00 10.00 C ATOM 833 C PRO A 66 0.377 3.963 -8.144 1.00 10.00 C ATOM 834 O PRO A 66 0.556 5.142 -8.468 1.00 10.00 O ATOM 835 CB PRO A 66 1.015 2.436 -10.038 1.00 10.00 C ATOM 836 CG PRO A 66 0.974 3.304 -11.246 1.00 10.00 C ATOM 837 CD PRO A 66 -0.474 3.649 -11.466 1.00 10.00 C ATOM 0 HA PRO A 66 -0.600 2.156 -8.555 1.00 10.00 H new ATOM 0 HB2 PRO A 66 1.973 2.518 -9.525 1.00 10.00 H new ATOM 0 HB3 PRO A 66 0.883 1.386 -10.301 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.571 4.204 -11.099 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.387 2.786 -12.112 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.590 4.658 -11.862 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -0.944 2.971 -12.179 1.00 10.00 H new ATOM 845 N ILE A 67 0.597 3.515 -6.917 1.00 10.00 N ATOM 846 CA ILE A 67 1.091 4.392 -5.865 1.00 10.00 C ATOM 847 C ILE A 67 2.616 4.418 -5.868 1.00 10.00 C ATOM 848 O ILE A 67 3.261 3.371 -5.968 1.00 10.00 O ATOM 849 CB ILE A 67 0.590 3.952 -4.473 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.941 3.924 -4.441 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.129 4.878 -3.388 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.514 3.522 -3.099 1.00 10.00 C ATOM 0 H ILE A 67 0.442 2.550 -6.625 1.00 10.00 H new ATOM 0 HA ILE A 67 0.705 5.391 -6.069 1.00 10.00 H new ATOM 0 HB ILE A 67 0.960 2.946 -4.278 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.319 4.911 -4.707 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.299 3.230 -5.202 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.764 4.550 -2.415 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.219 4.851 -3.395 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.791 5.897 -3.578 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.603 3.525 -3.153 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.166 2.522 -2.839 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.187 4.229 -2.337 1.00 10.00 H new ATOM 864 N ASN A 68 3.186 5.610 -5.769 1.00 10.00 N ATOM 865 CA ASN A 68 4.633 5.768 -5.762 1.00 10.00 C ATOM 866 C ASN A 68 5.158 5.774 -4.333 1.00 10.00 C ATOM 867 O ASN A 68 4.415 6.030 -3.385 1.00 10.00 O ATOM 868 CB ASN A 68 5.043 7.067 -6.464 1.00 10.00 C ATOM 869 CG ASN A 68 4.507 7.166 -7.879 1.00 10.00 C ATOM 870 OD1 ASN A 68 5.114 6.660 -8.823 1.00 10.00 O ATOM 871 ND2 ASN A 68 3.366 7.817 -8.035 1.00 10.00 N ATOM 0 H ASN A 68 2.667 6.485 -5.692 1.00 10.00 H new ATOM 0 HA ASN A 68 5.066 4.925 -6.301 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.683 7.917 -5.884 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.131 7.134 -6.487 1.00 10.00 H new ATOM 0 HD21 ASN A 68 2.957 7.914 -8.964 1.00 10.00 H new ATOM 0 HD22 ASN A 68 2.895 8.222 -7.226 1.00 10.00 H new ATOM 878 N GLU A 69 6.448 5.513 -4.182 1.00 10.00 N ATOM 879 CA GLU A 69 7.073 5.484 -2.867 1.00 10.00 C ATOM 880 C GLU A 69 7.198 6.892 -2.289 1.00 10.00 C ATOM 881 O GLU A 69 7.476 7.069 -1.104 1.00 10.00 O ATOM 882 CB GLU A 69 8.449 4.830 -2.955 1.00 10.00 C ATOM 883 CG GLU A 69 8.403 3.375 -3.399 1.00 10.00 C ATOM 884 CD GLU A 69 9.776 2.741 -3.453 1.00 10.00 C ATOM 885 OE1 GLU A 69 10.442 2.664 -2.397 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.199 2.317 -4.547 1.00 10.00 O ATOM 0 H GLU A 69 7.084 5.318 -4.955 1.00 10.00 H new ATOM 0 HA GLU A 69 6.440 4.897 -2.202 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.067 5.395 -3.653 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.933 4.889 -1.980 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.772 2.809 -2.713 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.939 3.314 -4.383 1.00 10.00 H new ATOM 893 N THR A 70 6.994 7.887 -3.134 1.00 10.00 N ATOM 894 CA THR A 70 7.076 9.278 -2.718 1.00 10.00 C ATOM 895 C THR A 70 5.688 9.907 -2.619 1.00 10.00 C ATOM 896 O THR A 70 5.552 11.129 -2.534 1.00 10.00 O ATOM 897 CB THR A 70 7.926 10.081 -3.718 1.00 10.00 C ATOM 898 OG1 THR A 70 7.720 9.566 -5.041 1.00 10.00 O ATOM 899 CG2 THR A 70 9.404 10.007 -3.362 1.00 10.00 C ATOM 0 H THR A 70 6.769 7.757 -4.120 1.00 10.00 H new ATOM 0 HA THR A 70 7.543 9.304 -1.733 1.00 10.00 H new ATOM 0 HB THR A 70 7.617 11.125 -3.675 1.00 10.00 H new ATOM 0 HG1 THR A 70 8.260 10.078 -5.679 1.00 10.00 H new ATOM 0 HG21 THR A 70 9.982 10.583 -4.085 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.559 10.417 -2.364 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.731 8.968 -3.382 1.00 10.00 H new ATOM 907 N ASP A 71 4.658 9.072 -2.615 1.00 10.00 N ATOM 908 CA ASP A 71 3.286 9.561 -2.548 1.00 10.00 C ATOM 909 C ASP A 71 2.802 9.682 -1.110 1.00 10.00 C ATOM 910 O ASP A 71 3.223 8.929 -0.226 1.00 10.00 O ATOM 911 CB ASP A 71 2.340 8.648 -3.335 1.00 10.00 C ATOM 912 CG ASP A 71 2.271 9.010 -4.806 1.00 10.00 C ATOM 913 OD1 ASP A 71 2.479 10.195 -5.143 1.00 10.00 O ATOM 914 OD2 ASP A 71 1.999 8.111 -5.632 1.00 10.00 O ATOM 0 H ASP A 71 4.745 8.057 -2.657 1.00 10.00 H new ATOM 0 HA ASP A 71 3.279 10.554 -2.997 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.671 7.614 -3.234 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.341 8.707 -2.903 1.00 10.00 H new ATOM 919 N THR A 72 1.929 10.651 -0.889 1.00 10.00 N ATOM 920 CA THR A 72 1.346 10.905 0.417 1.00 10.00 C ATOM 921 C THR A 72 -0.171 11.046 0.273 1.00 10.00 C ATOM 922 O THR A 72 -0.653 11.390 -0.809 1.00 10.00 O ATOM 923 CB THR A 72 1.934 12.186 1.050 1.00 10.00 C ATOM 924 OG1 THR A 72 2.530 13.009 0.036 1.00 10.00 O ATOM 925 CG2 THR A 72 2.976 11.844 2.105 1.00 10.00 C ATOM 0 H THR A 72 1.603 11.288 -1.616 1.00 10.00 H new ATOM 0 HA THR A 72 1.581 10.067 1.073 1.00 10.00 H new ATOM 0 HB THR A 72 1.120 12.730 1.529 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.898 13.819 0.447 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.374 12.763 2.535 1.00 10.00 H new ATOM 0 HG22 THR A 72 2.515 11.246 2.891 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.786 11.278 1.646 1.00 10.00 H new ATOM 933 N PRO A 73 -0.944 10.777 1.341 1.00 10.00 N ATOM 934 CA PRO A 73 -2.411 10.879 1.301 1.00 10.00 C ATOM 935 C PRO A 73 -2.880 12.260 0.854 1.00 10.00 C ATOM 936 O PRO A 73 -3.760 12.383 0.003 1.00 10.00 O ATOM 937 CB PRO A 73 -2.831 10.614 2.752 1.00 10.00 C ATOM 938 CG PRO A 73 -1.703 9.848 3.346 1.00 10.00 C ATOM 939 CD PRO A 73 -0.461 10.348 2.666 1.00 10.00 C ATOM 0 HA PRO A 73 -2.848 10.182 0.586 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.001 11.547 3.290 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.760 10.046 2.796 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.649 10.006 4.423 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -1.831 8.777 3.186 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.008 11.173 3.215 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.294 9.566 2.584 1.00 10.00 H new ATOM 947 N ALA A 74 -2.270 13.296 1.417 1.00 10.00 N ATOM 948 CA ALA A 74 -2.623 14.671 1.079 1.00 10.00 C ATOM 949 C ALA A 74 -2.254 14.996 -0.366 1.00 10.00 C ATOM 950 O ALA A 74 -2.975 15.721 -1.052 1.00 10.00 O ATOM 951 CB ALA A 74 -1.934 15.637 2.030 1.00 10.00 C ATOM 0 H ALA A 74 -1.527 13.211 2.111 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.703 14.779 1.182 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.204 16.660 1.769 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.249 15.428 3.052 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -0.854 15.516 1.952 1.00 10.00 H new ATOM 957 N GLN A 75 -1.135 14.437 -0.821 1.00 10.00 N ATOM 958 CA GLN A 75 -0.646 14.664 -2.180 1.00 10.00 C ATOM 959 C GLN A 75 -1.599 14.084 -3.220 1.00 10.00 C ATOM 960 O GLN A 75 -1.919 14.737 -4.213 1.00 10.00 O ATOM 961 CB GLN A 75 0.744 14.040 -2.350 1.00 10.00 C ATOM 962 CG GLN A 75 1.402 14.356 -3.684 1.00 10.00 C ATOM 963 CD GLN A 75 1.723 15.829 -3.841 1.00 10.00 C ATOM 964 OE1 GLN A 75 1.993 16.528 -2.864 1.00 10.00 O ATOM 965 NE2 GLN A 75 1.690 16.311 -5.071 1.00 10.00 N ATOM 0 H GLN A 75 -0.545 13.819 -0.264 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.586 15.741 -2.336 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.390 14.391 -1.545 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.661 12.958 -2.244 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.320 13.776 -3.779 1.00 10.00 H new ATOM 0 HG3 GLN A 75 0.742 14.043 -4.493 1.00 10.00 H new ATOM 0 HE21 GLN A 75 1.462 15.697 -5.853 1.00 10.00 H new ATOM 0 HE22 GLN A 75 1.893 17.297 -5.238 1.00 10.00 H new ATOM 974 N LEU A 76 -2.055 12.861 -2.982 1.00 10.00 N ATOM 975 CA LEU A 76 -2.962 12.186 -3.906 1.00 10.00 C ATOM 976 C LEU A 76 -4.409 12.623 -3.692 1.00 10.00 C ATOM 977 O LEU A 76 -5.314 12.116 -4.354 1.00 10.00 O ATOM 978 CB LEU A 76 -2.848 10.670 -3.740 1.00 10.00 C ATOM 979 CG LEU A 76 -1.624 10.032 -4.399 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.597 8.535 -4.131 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.623 10.308 -5.895 1.00 10.00 C ATOM 0 H LEU A 76 -1.812 12.314 -2.156 1.00 10.00 H new ATOM 0 HA LEU A 76 -2.672 12.465 -4.919 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.830 10.438 -2.675 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.745 10.207 -4.152 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.727 10.475 -3.967 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.720 8.096 -4.607 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.553 8.359 -3.056 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.498 8.076 -4.538 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.746 9.847 -6.349 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.525 9.891 -6.343 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.598 11.384 -6.066 1.00 10.00 H new ATOM 993 N GLU A 77 -4.611 13.569 -2.772 1.00 10.00 N ATOM 994 CA GLU A 77 -5.942 14.085 -2.450 1.00 10.00 C ATOM 995 C GLU A 77 -6.844 12.974 -1.919 1.00 10.00 C ATOM 996 O GLU A 77 -8.039 12.933 -2.207 1.00 10.00 O ATOM 997 CB GLU A 77 -6.581 14.752 -3.673 1.00 10.00 C ATOM 998 CG GLU A 77 -5.938 16.077 -4.053 1.00 10.00 C ATOM 999 CD GLU A 77 -6.684 16.784 -5.165 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -7.871 17.126 -4.968 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -6.088 17.010 -6.240 1.00 10.00 O ATOM 0 H GLU A 77 -3.859 13.997 -2.232 1.00 10.00 H new ATOM 0 HA GLU A 77 -5.827 14.837 -1.669 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.518 14.071 -4.522 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.640 14.916 -3.474 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -5.900 16.724 -3.176 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -4.908 15.902 -4.364 1.00 10.00 H new ATOM 1008 N MET A 78 -6.260 12.080 -1.133 1.00 10.00 N ATOM 1009 CA MET A 78 -7.001 10.970 -0.550 1.00 10.00 C ATOM 1010 C MET A 78 -7.993 11.483 0.480 1.00 10.00 C ATOM 1011 O MET A 78 -7.636 12.276 1.354 1.00 10.00 O ATOM 1012 CB MET A 78 -6.047 9.981 0.124 1.00 10.00 C ATOM 1013 CG MET A 78 -5.353 9.030 -0.835 1.00 10.00 C ATOM 1014 SD MET A 78 -4.144 7.983 -0.003 1.00 10.00 S ATOM 1015 CE MET A 78 -4.043 6.606 -1.138 1.00 10.00 C ATOM 0 H MET A 78 -5.271 12.102 -0.884 1.00 10.00 H new ATOM 0 HA MET A 78 -7.537 10.463 -1.353 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.290 10.541 0.673 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.605 9.397 0.856 1.00 10.00 H new ATOM 0 HG2 MET A 78 -6.098 8.403 -1.324 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.856 9.604 -1.617 1.00 10.00 H new ATOM 0 HE1 MET A 78 -3.280 5.907 -0.795 1.00 10.00 H new ATOM 0 HE2 MET A 78 -5.007 6.099 -1.182 1.00 10.00 H new ATOM 0 HE3 MET A 78 -3.780 6.971 -2.131 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.237 11.045 0.373 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.264 11.456 1.313 1.00 10.00 C ATOM 1027 C GLU A 79 -10.476 10.372 2.360 1.00 10.00 C ATOM 1028 O GLU A 79 -9.903 9.285 2.269 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.580 11.759 0.591 1.00 10.00 C ATOM 1030 CG GLU A 79 -12.009 13.218 0.691 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.944 13.757 2.108 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.592 13.173 3.007 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -11.236 14.762 2.333 1.00 10.00 O ATOM 0 H GLU A 79 -9.558 10.406 -0.354 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.931 12.369 1.806 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.478 11.490 -0.460 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.366 11.129 1.006 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -11.371 13.824 0.048 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -13.027 13.319 0.316 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.290 10.675 3.356 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.573 9.729 4.421 1.00 10.00 C ATOM 1042 C ASP A 80 -12.474 8.611 3.915 1.00 10.00 C ATOM 1043 O ASP A 80 -13.444 8.864 3.194 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.226 10.445 5.603 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.187 9.621 6.872 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.242 9.093 7.277 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.098 9.505 7.478 1.00 10.00 O ATOM 0 H ASP A 80 -11.768 11.571 3.449 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.633 9.289 4.754 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.719 11.394 5.774 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.262 10.677 5.356 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.126 7.380 4.285 1.00 10.00 N ATOM 1053 CA GLU A 81 -12.868 6.180 3.898 1.00 10.00 C ATOM 1054 C GLU A 81 -12.653 5.822 2.429 1.00 10.00 C ATOM 1055 O GLU A 81 -13.560 5.305 1.767 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.363 6.318 4.201 1.00 10.00 C ATOM 1057 CG GLU A 81 -14.757 5.801 5.574 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.083 5.079 5.551 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.021 5.525 6.242 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -16.204 4.067 4.826 1.00 10.00 O ATOM 0 H GLU A 81 -11.312 7.185 4.868 1.00 10.00 H new ATOM 0 HA GLU A 81 -12.472 5.363 4.501 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.645 7.368 4.123 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -14.930 5.778 3.443 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -13.984 5.127 5.942 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -14.811 6.636 6.273 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.453 6.086 1.925 1.00 10.00 N ATOM 1068 CA ASP A 82 -11.123 5.753 0.541 1.00 10.00 C ATOM 1069 C ASP A 82 -10.759 4.272 0.459 1.00 10.00 C ATOM 1070 O ASP A 82 -10.702 3.590 1.488 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.970 6.621 0.023 1.00 10.00 C ATOM 1072 CG ASP A 82 -10.071 6.887 -1.471 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.970 5.922 -2.265 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -10.254 8.059 -1.858 1.00 10.00 O ATOM 0 H ASP A 82 -10.696 6.526 2.448 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.990 5.952 -0.089 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.964 7.570 0.559 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -9.022 6.128 0.238 1.00 10.00 H new ATOM 1079 N THR A 83 -10.489 3.779 -0.740 1.00 10.00 N ATOM 1080 CA THR A 83 -10.162 2.373 -0.922 1.00 10.00 C ATOM 1081 C THR A 83 -8.890 2.190 -1.746 1.00 10.00 C ATOM 1082 O THR A 83 -8.762 2.731 -2.845 1.00 10.00 O ATOM 1083 CB THR A 83 -11.319 1.621 -1.609 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.577 2.091 -1.104 1.00 10.00 O ATOM 1085 CG2 THR A 83 -11.207 0.121 -1.381 1.00 10.00 C ATOM 0 H THR A 83 -10.490 4.329 -1.599 1.00 10.00 H new ATOM 0 HA THR A 83 -9.998 1.958 0.073 1.00 10.00 H new ATOM 0 HB THR A 83 -11.260 1.814 -2.680 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.307 1.610 -1.546 1.00 10.00 H new ATOM 0 HG21 THR A 83 -12.036 -0.385 -1.876 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.264 -0.240 -1.791 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.241 -0.088 -0.312 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.952 1.432 -1.197 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.694 1.146 -1.873 1.00 10.00 C ATOM 1095 C ILE A 84 -6.688 -0.308 -2.348 1.00 10.00 C ATOM 1096 O ILE A 84 -7.109 -1.206 -1.613 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.486 1.405 -0.945 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.616 2.779 -0.275 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.184 1.318 -1.733 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.493 3.106 0.692 1.00 10.00 C ATOM 0 H ILE A 84 -8.040 1.000 -0.277 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.605 1.813 -2.731 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.472 0.640 -0.169 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.650 3.546 -1.048 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.565 2.822 0.259 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.342 1.503 -1.066 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.089 0.324 -2.170 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -4.189 2.065 -2.527 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.659 4.093 1.122 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.470 2.362 1.488 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.541 3.098 0.161 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.223 -0.534 -3.574 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.193 -1.879 -4.155 1.00 10.00 C ATOM 1114 C ASP A 85 -4.820 -2.532 -4.012 1.00 10.00 C ATOM 1115 O ASP A 85 -3.789 -1.865 -4.116 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.551 -1.832 -5.643 1.00 10.00 C ATOM 1117 CG ASP A 85 -8.039 -1.718 -5.906 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.808 -2.578 -5.430 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -8.445 -0.772 -6.615 1.00 10.00 O ATOM 0 H ASP A 85 -5.861 0.196 -4.187 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.926 -2.471 -3.607 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -6.043 -0.985 -6.104 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.173 -2.732 -6.128 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.825 -3.843 -3.791 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.595 -4.619 -3.664 1.00 10.00 C ATOM 1126 C VAL A 86 -3.527 -5.655 -4.784 1.00 10.00 C ATOM 1127 O VAL A 86 -4.481 -6.404 -5.004 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.508 -5.346 -2.302 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.152 -6.016 -2.136 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.768 -4.383 -1.157 1.00 10.00 C ATOM 0 H VAL A 86 -5.677 -4.396 -3.695 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.759 -3.923 -3.732 1.00 10.00 H new ATOM 0 HB VAL A 86 -4.278 -6.117 -2.281 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.112 -6.522 -1.171 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.006 -6.744 -2.934 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -1.366 -5.263 -2.184 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.701 -4.918 -0.210 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.025 -3.585 -1.177 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.764 -3.954 -1.262 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.412 -5.689 -5.499 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.238 -6.629 -6.600 1.00 10.00 C ATOM 1142 C PHE A 87 -0.959 -7.438 -6.434 1.00 10.00 C ATOM 1143 O PHE A 87 -0.087 -7.084 -5.638 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.207 -5.881 -7.937 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.562 -5.437 -8.408 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -4.333 -6.263 -9.205 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -4.065 -4.195 -8.050 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -5.580 -5.864 -9.639 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -5.313 -3.790 -8.483 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.072 -4.626 -9.278 1.00 10.00 C ATOM 0 H PHE A 87 -1.613 -5.076 -5.337 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.084 -7.316 -6.590 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.561 -5.008 -7.841 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -1.761 -6.526 -8.694 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -3.954 -7.233 -9.491 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -3.476 -3.538 -7.427 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -6.171 -6.520 -10.261 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -5.695 -2.820 -8.200 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.048 -4.312 -9.616 1.00 10.00 H new ATOM 1160 N GLN A 88 -0.861 -8.527 -7.185 1.00 10.00 N ATOM 1161 CA GLN A 88 0.308 -9.397 -7.146 1.00 10.00 C ATOM 1162 C GLN A 88 1.098 -9.268 -8.440 1.00 10.00 C ATOM 1163 O GLN A 88 0.521 -9.048 -9.505 1.00 10.00 O ATOM 1164 CB GLN A 88 -0.118 -10.855 -6.955 1.00 10.00 C ATOM 1165 CG GLN A 88 -0.683 -11.158 -5.578 1.00 10.00 C ATOM 1166 CD GLN A 88 0.395 -11.324 -4.523 1.00 10.00 C ATOM 1167 OE1 GLN A 88 1.521 -11.729 -4.820 1.00 10.00 O ATOM 1168 NE2 GLN A 88 0.055 -11.032 -3.280 1.00 10.00 N ATOM 0 H GLN A 88 -1.585 -8.831 -7.835 1.00 10.00 H new ATOM 0 HA GLN A 88 0.934 -9.095 -6.306 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.866 -11.106 -7.707 1.00 10.00 H new ATOM 0 HB3 GLN A 88 0.742 -11.500 -7.134 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -1.355 -10.353 -5.281 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -1.280 -12.069 -5.628 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -0.887 -10.699 -3.074 1.00 10.00 H new ATOM 0 HE22 GLN A 88 0.734 -11.139 -2.527 1.00 10.00 H new ATOM 1177 N GLN A 89 2.415 -9.393 -8.347 1.00 10.00 N ATOM 1178 CA GLN A 89 3.271 -9.302 -9.519 1.00 10.00 C ATOM 1179 C GLN A 89 3.310 -10.642 -10.246 1.00 10.00 C ATOM 1180 O GLN A 89 3.328 -11.703 -9.614 1.00 10.00 O ATOM 1181 CB GLN A 89 4.689 -8.873 -9.118 1.00 10.00 C ATOM 1182 CG GLN A 89 5.617 -8.641 -10.301 1.00 10.00 C ATOM 1183 CD GLN A 89 5.058 -7.635 -11.286 1.00 10.00 C ATOM 1184 OE1 GLN A 89 4.395 -6.669 -10.901 1.00 10.00 O ATOM 1185 NE2 GLN A 89 5.305 -7.861 -12.563 1.00 10.00 N ATOM 0 H GLN A 89 2.912 -9.558 -7.472 1.00 10.00 H new ATOM 0 HA GLN A 89 2.860 -8.549 -10.191 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.629 -7.957 -8.530 1.00 10.00 H new ATOM 0 HB3 GLN A 89 5.122 -9.638 -8.473 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.583 -8.291 -9.938 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.792 -9.587 -10.813 1.00 10.00 H new ATOM 0 HE21 GLN A 89 5.858 -8.672 -12.840 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.943 -7.224 -13.273 1.00 10.00 H new ATOM 1194 N GLN A 90 3.311 -10.588 -11.571 1.00 10.00 N ATOM 1195 CA GLN A 90 3.344 -11.793 -12.390 1.00 10.00 C ATOM 1196 C GLN A 90 4.727 -12.431 -12.340 1.00 10.00 C ATOM 1197 O GLN A 90 5.717 -11.823 -12.750 1.00 10.00 O ATOM 1198 CB GLN A 90 2.971 -11.474 -13.841 1.00 10.00 C ATOM 1199 CG GLN A 90 1.615 -10.799 -13.995 1.00 10.00 C ATOM 1200 CD GLN A 90 1.705 -9.287 -13.955 1.00 10.00 C ATOM 1201 OE1 GLN A 90 2.714 -8.699 -14.346 1.00 10.00 O ATOM 1202 NE2 GLN A 90 0.650 -8.651 -13.477 1.00 10.00 N ATOM 0 H GLN A 90 3.289 -9.719 -12.104 1.00 10.00 H new ATOM 0 HA GLN A 90 2.613 -12.495 -11.988 1.00 10.00 H new ATOM 0 HB2 GLN A 90 3.738 -10.829 -14.270 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.973 -12.399 -14.418 1.00 10.00 H new ATOM 0 HG2 GLN A 90 1.166 -11.107 -14.939 1.00 10.00 H new ATOM 0 HG3 GLN A 90 0.952 -11.140 -13.200 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -0.165 -9.179 -13.164 1.00 10.00 H new ATOM 0 HE22 GLN A 90 0.651 -7.633 -13.421 1.00 10.00 H new ATOM 1211 N THR A 91 4.784 -13.659 -11.846 1.00 10.00 N ATOM 1212 CA THR A 91 6.040 -14.385 -11.728 1.00 10.00 C ATOM 1213 C THR A 91 6.478 -14.983 -13.066 1.00 10.00 C ATOM 1214 O THR A 91 7.557 -15.571 -13.178 1.00 10.00 O ATOM 1215 CB THR A 91 5.913 -15.496 -10.673 1.00 10.00 C ATOM 1216 OG1 THR A 91 4.525 -15.770 -10.423 1.00 10.00 O ATOM 1217 CG2 THR A 91 6.589 -15.085 -9.373 1.00 10.00 C ATOM 0 H THR A 91 3.969 -14.177 -11.518 1.00 10.00 H new ATOM 0 HA THR A 91 6.804 -13.673 -11.416 1.00 10.00 H new ATOM 0 HB THR A 91 6.403 -16.391 -11.055 1.00 10.00 H new ATOM 0 HG1 THR A 91 4.447 -16.480 -9.752 1.00 10.00 H new ATOM 0 HG21 THR A 91 6.487 -15.886 -8.641 1.00 10.00 H new ATOM 0 HG22 THR A 91 7.646 -14.894 -9.557 1.00 10.00 H new ATOM 0 HG23 THR A 91 6.119 -14.180 -8.989 1.00 10.00 H new ATOM 1225 N GLY A 92 5.640 -14.828 -14.079 1.00 10.00 N ATOM 1226 CA GLY A 92 5.956 -15.342 -15.389 1.00 10.00 C ATOM 1227 C GLY A 92 4.710 -15.598 -16.197 1.00 10.00 C ATOM 1228 O GLY A 92 3.627 -15.144 -15.771 1.00 10.00 O ATOM 0 H GLY A 92 4.741 -14.351 -14.013 1.00 10.00 H new ATOM 0 HA2 GLY A 92 6.593 -14.632 -15.916 1.00 10.00 H new ATOM 0 HA3 GLY A 92 6.524 -16.267 -15.291 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -15.747 -11.086 6.285 1.00 10.00 N ATOM 1234 CA ASN B 357 -14.594 -10.188 6.085 1.00 10.00 C ATOM 1235 C ASN B 357 -14.006 -9.801 7.429 1.00 10.00 C ATOM 1236 O ASN B 357 -14.685 -9.880 8.450 1.00 10.00 O ATOM 1237 CB ASN B 357 -15.015 -8.931 5.307 1.00 10.00 C ATOM 1238 CG ASN B 357 -15.995 -8.047 6.068 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -15.971 -6.753 5.778 1.00 10.00 O flip ATOM 1240 ND2 ASN B 357 -16.777 -8.520 6.893 1.00 10.00 N flip ATOM 0 HA ASN B 357 -13.838 -10.713 5.502 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -14.126 -8.349 5.064 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -15.467 -9.232 4.362 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -16.767 -9.521 7.090 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -17.435 -7.911 7.379 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.745 -9.399 7.436 1.00 10.00 N ATOM 1248 CA ASN B 358 -12.089 -9.004 8.674 1.00 10.00 C ATOM 1249 C ASN B 358 -11.606 -7.565 8.598 1.00 10.00 C ATOM 1250 O ASN B 358 -10.975 -7.168 7.619 1.00 10.00 O ATOM 1251 CB ASN B 358 -10.920 -9.948 9.012 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.861 -10.029 7.921 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -8.946 -9.208 7.860 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -9.967 -11.029 7.056 1.00 10.00 N ATOM 0 H ASN B 358 -12.158 -9.337 6.604 1.00 10.00 H new ATOM 0 HA ASN B 358 -12.825 -9.078 9.475 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -10.451 -9.613 9.937 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -11.314 -10.947 9.198 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -9.278 -11.135 6.312 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -10.738 -11.692 7.135 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.939 -6.764 9.610 1.00 10.00 N ATOM 1262 CA ARG B 359 -11.488 -5.381 9.640 1.00 10.00 C ATOM 1263 C ARG B 359 -10.637 -5.116 10.884 1.00 10.00 C ATOM 1264 O ARG B 359 -11.068 -5.344 12.021 1.00 10.00 O ATOM 1265 CB ARG B 359 -12.685 -4.419 9.613 1.00 10.00 C ATOM 1266 CG ARG B 359 -13.613 -4.558 10.810 1.00 10.00 C ATOM 1267 CD ARG B 359 -14.643 -3.443 10.855 1.00 10.00 C ATOM 1268 NE ARG B 359 -15.667 -3.591 9.828 1.00 10.00 N ATOM 1269 CZ ARG B 359 -16.340 -2.571 9.305 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -16.105 -1.330 9.728 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -17.255 -2.790 8.372 1.00 10.00 N ATOM 0 H ARG B 359 -12.510 -7.047 10.406 1.00 10.00 H new ATOM 0 HA ARG B 359 -10.878 -5.208 8.753 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -12.315 -3.395 9.569 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -13.256 -4.591 8.701 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -14.121 -5.521 10.766 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.026 -4.548 11.728 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.116 -3.429 11.837 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -14.142 -2.483 10.729 1.00 10.00 H new ATOM 0 HE ARG B 359 -15.879 -4.530 9.492 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -15.408 -1.162 10.454 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -16.622 -0.548 9.326 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -17.443 -3.741 8.055 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -17.772 -2.007 7.971 1.00 10.00 H new ATOM 1285 N ASP B 360 -9.411 -4.672 10.657 1.00 10.00 N ATOM 1286 CA ASP B 360 -8.485 -4.329 11.730 1.00 10.00 C ATOM 1287 C ASP B 360 -7.916 -2.936 11.482 1.00 10.00 C ATOM 1288 O ASP B 360 -7.611 -2.587 10.338 1.00 10.00 O ATOM 1289 CB ASP B 360 -7.399 -5.390 11.923 1.00 10.00 C ATOM 1290 CG ASP B 360 -6.169 -5.146 11.091 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -6.230 -5.382 9.873 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -5.129 -4.751 11.660 1.00 10.00 O ATOM 0 H ASP B 360 -9.027 -4.538 9.722 1.00 10.00 H new ATOM 0 HA ASP B 360 -9.032 -4.311 12.673 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -7.116 -5.422 12.975 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.809 -6.368 11.673 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.783 -2.101 12.513 1.00 10.00 N ATOM 1298 CA PRO B 361 -7.289 -0.751 12.350 1.00 10.00 C ATOM 1299 C PRO B 361 -5.866 -0.565 12.869 1.00 10.00 C ATOM 1300 O PRO B 361 -5.516 -0.951 13.984 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.263 0.023 13.237 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.685 -0.951 14.309 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.206 -2.325 13.892 1.00 10.00 C ATOM 0 HA PRO B 361 -7.242 -0.443 11.305 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.787 0.903 13.670 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.122 0.375 12.665 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.256 -0.671 15.271 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.768 -0.943 14.429 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.385 -2.677 14.517 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.999 -3.070 13.958 1.00 10.00 H new ATOM 1311 N ILE B 362 -5.052 0.045 12.021 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.653 0.293 12.310 1.00 10.00 C ATOM 1313 C ILE B 362 -3.392 1.784 12.361 1.00 10.00 C ATOM 1314 O ILE B 362 -3.848 2.521 11.495 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.735 -0.322 11.229 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -3.170 -1.751 10.893 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -1.283 -0.302 11.680 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -2.638 -2.231 9.561 1.00 10.00 C ATOM 0 H ILE B 362 -5.349 0.384 11.106 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.432 -0.169 13.272 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.824 0.284 10.328 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -2.827 -2.424 11.679 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.259 -1.801 10.883 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.655 -0.740 10.904 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.972 0.727 11.861 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -1.179 -0.879 12.599 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -2.980 -3.250 9.378 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -3.002 -1.578 8.767 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -1.548 -2.211 9.576 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.685 2.232 13.380 1.00 10.00 N ATOM 1331 CA VAL B 363 -2.384 3.643 13.514 1.00 10.00 C ATOM 1332 C VAL B 363 -0.878 3.844 13.439 1.00 10.00 C ATOM 1333 O VAL B 363 -0.118 3.247 14.201 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.892 4.197 14.861 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.655 5.693 14.958 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.364 3.862 15.058 1.00 10.00 C ATOM 0 H VAL B 363 -2.310 1.643 14.123 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.885 4.176 12.706 1.00 10.00 H new ATOM 0 HB VAL B 363 -2.326 3.719 15.661 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -3.022 6.058 15.917 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.588 5.898 14.876 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -3.185 6.198 14.150 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.703 4.261 16.014 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.949 4.304 14.252 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.495 2.780 15.050 1.00 10.00 H new ATOM 1346 N ILE B 364 -0.462 4.703 12.531 1.00 10.00 N ATOM 1347 CA ILE B 364 0.947 5.007 12.338 1.00 10.00 C ATOM 1348 C ILE B 364 1.174 6.496 12.530 1.00 10.00 C ATOM 1349 O ILE B 364 0.441 7.316 11.971 1.00 10.00 O ATOM 1350 CB ILE B 364 1.444 4.566 10.932 1.00 10.00 C ATOM 1351 CG1 ILE B 364 1.233 3.056 10.743 1.00 10.00 C ATOM 1352 CG2 ILE B 364 2.915 4.925 10.726 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.563 2.549 9.354 1.00 10.00 C ATOM 0 H ILE B 364 -1.087 5.211 11.905 1.00 10.00 H new ATOM 0 HA ILE B 364 1.520 4.447 13.077 1.00 10.00 H new ATOM 0 HB ILE B 364 0.859 5.103 10.185 1.00 10.00 H new ATOM 0 HG12 ILE B 364 1.848 2.522 11.468 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.194 2.815 10.967 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.232 4.604 9.734 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.042 6.004 10.816 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.521 4.424 11.481 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.386 1.474 9.307 1.00 10.00 H new ATOM 0 HD12 ILE B 364 0.931 3.053 8.623 1.00 10.00 H new ATOM 0 HD13 ILE B 364 2.610 2.755 9.131 1.00 10.00 H new ATOM 1365 N SER B 365 2.167 6.840 13.333 1.00 10.00 N ATOM 1366 CA SER B 365 2.491 8.233 13.591 1.00 10.00 C ATOM 1367 C SER B 365 3.891 8.534 13.082 1.00 10.00 C ATOM 1368 O SER B 365 4.846 7.818 13.392 1.00 10.00 O ATOM 1369 CB SER B 365 2.405 8.527 15.090 1.00 10.00 C ATOM 1370 OG SER B 365 1.135 8.157 15.606 1.00 10.00 O ATOM 0 H SER B 365 2.764 6.171 13.819 1.00 10.00 H new ATOM 0 HA SER B 365 1.774 8.867 13.069 1.00 10.00 H new ATOM 0 HB2 SER B 365 3.189 7.983 15.617 1.00 10.00 H new ATOM 0 HB3 SER B 365 2.579 9.588 15.267 1.00 10.00 H new ATOM 0 HG SER B 365 1.102 8.352 16.566 1.00 10.00 H new ATOM 1376 N ASP B 366 4.010 9.591 12.296 1.00 10.00 N ATOM 1377 CA ASP B 366 5.295 9.979 11.737 1.00 10.00 C ATOM 1378 C ASP B 366 5.657 11.379 12.175 1.00 10.00 C ATOM 1379 O ASP B 366 4.856 12.308 12.053 1.00 10.00 O ATOM 1380 CB ASP B 366 5.284 9.901 10.205 1.00 10.00 C ATOM 1381 CG ASP B 366 6.595 9.378 9.645 1.00 10.00 C ATOM 1382 OD1 ASP B 366 6.839 9.539 8.434 1.00 10.00 O ATOM 1383 OD2 ASP B 366 7.384 8.790 10.415 1.00 10.00 O ATOM 0 H ASP B 366 3.233 10.196 12.030 1.00 10.00 H new ATOM 0 HA ASP B 366 6.043 9.279 12.110 1.00 10.00 H new ATOM 0 HB2 ASP B 366 4.469 9.253 9.882 1.00 10.00 H new ATOM 0 HB3 ASP B 366 5.085 10.891 9.794 1.00 10.00 H new ATOM 1388 N SER B 367 6.859 11.532 12.693 1.00 10.00 N ATOM 1389 CA SER B 367 7.327 12.825 13.152 1.00 10.00 C ATOM 1390 C SER B 367 8.633 13.197 12.455 1.00 10.00 C ATOM 1391 O SER B 367 9.534 12.365 12.346 1.00 10.00 O ATOM 1392 CB SER B 367 7.524 12.794 14.664 1.00 10.00 C ATOM 1393 OG SER B 367 6.562 11.956 15.281 1.00 10.00 O ATOM 0 H SER B 367 7.532 10.774 12.807 1.00 10.00 H new ATOM 0 HA SER B 367 6.580 13.580 12.906 1.00 10.00 H new ATOM 0 HB2 SER B 367 8.527 12.436 14.897 1.00 10.00 H new ATOM 0 HB3 SER B 367 7.444 13.804 15.066 1.00 10.00 H new ATOM 0 HG SER B 367 6.708 11.949 16.250 1.00 10.00 H new ATOM 1399 N PRO B 368 8.748 14.445 11.965 1.00 10.00 N ATOM 1400 CA PRO B 368 9.952 14.918 11.278 1.00 10.00 C ATOM 1401 C PRO B 368 11.172 14.923 12.191 1.00 10.00 C ATOM 1402 O PRO B 368 11.205 15.731 13.145 1.00 10.00 O ATOM 1403 CB PRO B 368 9.599 16.344 10.845 1.00 10.00 C ATOM 1404 CG PRO B 368 8.459 16.750 11.712 1.00 10.00 C ATOM 1405 CD PRO B 368 7.708 15.489 12.034 1.00 10.00 C ATOM 0 HA PRO B 368 10.219 14.269 10.444 1.00 10.00 H new ATOM 0 HB2 PRO B 368 10.448 17.015 10.973 1.00 10.00 H new ATOM 0 HB3 PRO B 368 9.322 16.377 9.791 1.00 10.00 H new ATOM 0 HG2 PRO B 368 8.815 17.234 12.621 1.00 10.00 H new ATOM 0 HG3 PRO B 368 7.816 17.466 11.200 1.00 10.00 H new ATOM 0 HD2 PRO B 368 7.250 15.535 13.022 1.00 10.00 H new ATOM 0 HD3 PRO B 368 6.906 15.305 11.319 1.00 10.00 H new TER 1413 PRO B 368