USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 715 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 25 LYS NZ :NH3+ -154:sc= -0.0575 (180deg=-0.294) USER MOD Set 1.2: A 27 SER OG : rot 90:sc= -0.0181 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 57:sc= 1.3 USER MOD Single : A 7 LYS NZ :NH3+ -153:sc= -0.185 (180deg=-2.41!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -2.52 K(o=-2.5,f=-4.2) USER MOD Single : A 20 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.101 (180deg=-1.62!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -12:sc= 0.862 USER MOD Single : A 29 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0753 K(o=-0.075,f=-0.58) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 41:sc= -2.52! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -9:sc= 1.12 USER MOD Single : A 59 MET CE :methyl -162:sc= -1.21 (180deg=-1.93) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0468 F(o=-2!,f=-0.047) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -106:sc= -1.23 (180deg=-3.53!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.359 F(o=-1.3,f=-0.36) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.684 K(o=-0.68,f=-3.1!) USER MOD Single : A 90 GLN : amide:sc= 1.12 K(o=1.1,f=-0.38) USER MOD Single : A 91 THR OG1 : rot 136:sc= 0.303 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0208 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 142:sc= -1.31 (180deg=-2.7!) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0163) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.146 -14.107 5.009 1.00 0.00 N ATOM 2 CA ALA A 1 7.731 -12.918 4.233 1.00 0.00 C ATOM 3 C ALA A 1 8.138 -11.640 4.964 1.00 0.00 C ATOM 4 O ALA A 1 9.285 -11.509 5.398 1.00 0.00 O ATOM 5 CB ALA A 1 6.231 -12.949 3.973 1.00 0.00 C ATOM 0 H1 ALA A 1 7.863 -14.969 4.501 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.179 -14.099 5.130 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.688 -14.089 5.943 1.00 0.00 H new ATOM 0 HA ALA A 1 8.239 -12.932 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.943 -12.067 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.978 -13.846 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.697 -12.956 4.923 1.00 0.00 H new ATOM 13 N PHE A 2 7.207 -10.699 5.095 1.00 0.00 N ATOM 14 CA PHE A 2 7.485 -9.433 5.760 1.00 0.00 C ATOM 15 C PHE A 2 7.453 -9.588 7.282 1.00 0.00 C ATOM 16 O PHE A 2 8.423 -10.067 7.874 1.00 0.00 O ATOM 17 CB PHE A 2 6.501 -8.346 5.310 1.00 0.00 C ATOM 18 CG PHE A 2 6.718 -7.870 3.899 1.00 0.00 C ATOM 19 CD1 PHE A 2 6.530 -8.721 2.820 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.100 -6.560 3.654 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.722 -8.274 1.526 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.292 -6.109 2.363 1.00 0.00 C ATOM 23 CZ PHE A 2 7.104 -6.968 1.297 1.00 0.00 C ATOM 0 H PHE A 2 6.252 -10.791 4.748 1.00 0.00 H new ATOM 0 HA PHE A 2 8.490 -9.125 5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.485 -8.730 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.582 -7.495 5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.230 -9.744 2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.249 -5.884 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.573 -8.947 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.589 -5.086 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.256 -6.618 0.287 1.00 0.00 H new ATOM 32 N ASP A 3 6.383 -9.092 7.912 1.00 0.00 N ATOM 33 CA ASP A 3 6.275 -9.061 9.375 1.00 0.00 C ATOM 34 C ASP A 3 7.383 -8.181 9.946 1.00 0.00 C ATOM 35 O ASP A 3 8.291 -8.647 10.636 1.00 0.00 O ATOM 36 CB ASP A 3 6.316 -10.482 9.964 1.00 0.00 C ATOM 37 CG ASP A 3 6.240 -10.508 11.480 1.00 0.00 C ATOM 38 OD1 ASP A 3 5.319 -9.886 12.049 1.00 0.00 O ATOM 39 OD2 ASP A 3 7.085 -11.181 12.107 1.00 0.00 O ATOM 0 H ASP A 3 5.574 -8.704 7.428 1.00 0.00 H new ATOM 0 HA ASP A 3 5.313 -8.633 9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.487 -11.061 9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.235 -10.973 9.645 1.00 0.00 H new ATOM 43 N GLY A 4 7.384 -6.932 9.510 1.00 0.00 N ATOM 44 CA GLY A 4 8.452 -6.024 9.853 1.00 0.00 C ATOM 45 C GLY A 4 8.086 -4.589 9.553 1.00 0.00 C ATOM 46 O GLY A 4 7.088 -4.327 8.876 1.00 0.00 O ATOM 0 H GLY A 4 6.656 -6.530 8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.689 -6.125 10.912 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.351 -6.294 9.298 1.00 0.00 H new ATOM 50 N THR A 5 8.873 -3.660 10.070 1.00 0.00 N ATOM 51 CA THR A 5 8.609 -2.247 9.874 1.00 0.00 C ATOM 52 C THR A 5 9.516 -1.671 8.789 1.00 0.00 C ATOM 53 O THR A 5 10.720 -1.896 8.797 1.00 0.00 O ATOM 54 CB THR A 5 8.823 -1.470 11.188 1.00 0.00 C ATOM 55 OG1 THR A 5 9.849 -2.100 11.971 1.00 0.00 O ATOM 56 CG2 THR A 5 7.539 -1.406 11.995 1.00 0.00 C ATOM 0 H THR A 5 9.702 -3.861 10.630 1.00 0.00 H new ATOM 0 HA THR A 5 7.571 -2.142 9.560 1.00 0.00 H new ATOM 0 HB THR A 5 9.128 -0.455 10.935 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.673 -2.158 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.716 -0.853 12.917 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.768 -0.902 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.210 -2.417 12.236 1.00 0.00 H new ATOM 64 N TRP A 6 8.916 -1.003 7.806 1.00 0.00 N ATOM 65 CA TRP A 6 9.670 -0.433 6.685 1.00 0.00 C ATOM 66 C TRP A 6 9.231 1.015 6.465 1.00 0.00 C ATOM 67 O TRP A 6 8.174 1.255 5.889 1.00 0.00 O ATOM 68 CB TRP A 6 9.404 -1.218 5.383 1.00 0.00 C ATOM 69 CG TRP A 6 9.725 -2.697 5.414 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.456 -3.594 6.412 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.336 -3.455 4.362 1.00 0.00 C ATOM 72 NE1 TRP A 6 9.892 -4.847 6.058 1.00 0.00 N ATOM 73 CE2 TRP A 6 10.428 -4.789 4.803 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.823 -3.136 3.092 1.00 0.00 C ATOM 75 CZ2 TRP A 6 10.983 -5.796 4.023 1.00 0.00 C ATOM 76 CZ3 TRP A 6 11.372 -4.139 2.316 1.00 0.00 C ATOM 77 CH2 TRP A 6 11.448 -5.456 2.783 1.00 0.00 C ATOM 0 H TRP A 6 7.910 -0.842 7.761 1.00 0.00 H new ATOM 0 HA TRP A 6 10.731 -0.487 6.928 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.352 -1.102 5.122 1.00 0.00 H new ATOM 0 HB3 TRP A 6 9.984 -0.759 4.582 1.00 0.00 H new ATOM 0 HD1 TRP A 6 8.970 -3.351 7.345 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.826 -5.684 6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.771 -2.122 2.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.045 -6.812 4.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.749 -3.902 1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.882 -6.218 2.152 1.00 0.00 H new ATOM 87 N LYS A 7 10.028 1.980 6.917 1.00 0.00 N ATOM 88 CA LYS A 7 9.639 3.382 6.807 1.00 0.00 C ATOM 89 C LYS A 7 10.802 4.322 7.114 1.00 0.00 C ATOM 90 O LYS A 7 11.861 3.894 7.568 1.00 0.00 O ATOM 91 CB LYS A 7 8.463 3.679 7.739 1.00 0.00 C ATOM 92 CG LYS A 7 7.573 4.827 7.280 1.00 0.00 C ATOM 93 CD LYS A 7 6.779 4.467 6.037 1.00 0.00 C ATOM 94 CE LYS A 7 5.607 5.419 5.833 1.00 0.00 C ATOM 95 NZ LYS A 7 4.741 5.016 4.694 1.00 0.00 N ATOM 0 H LYS A 7 10.934 1.820 7.357 1.00 0.00 H new ATOM 0 HA LYS A 7 9.336 3.558 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.855 2.780 7.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.850 3.910 8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.887 5.098 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.188 5.704 7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.432 4.498 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.409 3.445 6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.010 5.456 6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.986 6.426 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.270 5.856 4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.323 4.569 3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.024 4.340 5.026 1.00 0.00 H new ATOM 105 N VAL A 8 10.583 5.606 6.856 1.00 0.00 N ATOM 106 CA VAL A 8 11.575 6.643 7.111 1.00 0.00 C ATOM 107 C VAL A 8 11.250 7.338 8.430 1.00 0.00 C ATOM 108 O VAL A 8 10.085 7.387 8.830 1.00 0.00 O ATOM 109 CB VAL A 8 11.576 7.695 5.977 1.00 0.00 C ATOM 110 CG1 VAL A 8 12.695 8.712 6.160 1.00 0.00 C ATOM 111 CG2 VAL A 8 11.680 7.023 4.617 1.00 0.00 C ATOM 0 H VAL A 8 9.710 5.958 6.463 1.00 0.00 H new ATOM 0 HA VAL A 8 12.559 6.176 7.159 1.00 0.00 H new ATOM 0 HB VAL A 8 10.628 8.232 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.666 9.436 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.564 9.230 7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.657 8.199 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.679 7.782 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.605 6.449 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.830 6.355 4.475 1.00 0.00 H new ATOM 121 N GLY A 9 12.297 7.760 9.143 1.00 0.00 N ATOM 122 CA GLY A 9 12.152 8.344 10.471 1.00 0.00 C ATOM 123 C GLY A 9 11.035 9.368 10.575 1.00 0.00 C ATOM 124 O GLY A 9 10.763 10.108 9.628 1.00 0.00 O ATOM 0 H GLY A 9 13.261 7.706 8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.968 7.546 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.092 8.817 10.754 1.00 0.00 H new ATOM 128 N GLY A 10 10.318 9.327 11.690 1.00 0.00 N ATOM 129 CA GLY A 10 9.156 10.176 11.862 1.00 0.00 C ATOM 130 C GLY A 10 7.883 9.446 11.498 1.00 0.00 C ATOM 131 O GLY A 10 6.875 9.541 12.197 1.00 0.00 O ATOM 0 H GLY A 10 10.522 8.718 12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.100 10.515 12.897 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.258 11.066 11.241 1.00 0.00 H new ATOM 135 N LEU A 11 7.961 8.645 10.450 1.00 0.00 N ATOM 136 CA LEU A 11 6.850 7.807 10.031 1.00 0.00 C ATOM 137 C LEU A 11 7.136 6.368 10.424 1.00 0.00 C ATOM 138 O LEU A 11 8.285 6.012 10.687 1.00 0.00 O ATOM 139 CB LEU A 11 6.655 7.889 8.513 1.00 0.00 C ATOM 140 CG LEU A 11 6.675 9.299 7.917 1.00 0.00 C ATOM 141 CD1 LEU A 11 6.456 9.237 6.413 1.00 0.00 C ATOM 142 CD2 LEU A 11 5.624 10.181 8.576 1.00 0.00 C ATOM 0 H LEU A 11 8.793 8.557 9.867 1.00 0.00 H new ATOM 0 HA LEU A 11 5.940 8.157 10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.436 7.300 8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.703 7.421 8.262 1.00 0.00 H new ATOM 0 HG LEU A 11 7.653 9.740 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.472 10.246 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.248 8.645 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.491 8.776 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.658 11.178 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.636 9.748 8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.825 10.250 9.645 1.00 0.00 H new ATOM 153 N LYS A 12 6.122 5.525 10.387 1.00 0.00 N ATOM 154 CA LYS A 12 6.323 4.106 10.621 1.00 0.00 C ATOM 155 C LYS A 12 5.356 3.295 9.778 1.00 0.00 C ATOM 156 O LYS A 12 4.238 3.731 9.503 1.00 0.00 O ATOM 157 CB LYS A 12 6.190 3.746 12.109 1.00 0.00 C ATOM 158 CG LYS A 12 4.806 3.963 12.697 1.00 0.00 C ATOM 159 CD LYS A 12 4.751 3.519 14.154 1.00 0.00 C ATOM 160 CE LYS A 12 5.058 2.035 14.304 1.00 0.00 C ATOM 161 NZ LYS A 12 5.119 1.618 15.730 1.00 0.00 N ATOM 0 H LYS A 12 5.156 5.794 10.199 1.00 0.00 H new ATOM 0 HA LYS A 12 7.342 3.859 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.465 2.700 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.907 4.338 12.677 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.538 5.017 12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.070 3.407 12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.466 4.099 14.738 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.762 3.729 14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.294 1.453 13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.009 1.811 13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.330 0.601 15.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.866 2.154 16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.204 1.807 16.186 1.00 0.00 H new ATOM 171 N LEU A 13 5.835 2.168 9.290 1.00 0.00 N ATOM 172 CA LEU A 13 5.056 1.306 8.421 1.00 0.00 C ATOM 173 C LEU A 13 5.326 -0.134 8.814 1.00 0.00 C ATOM 174 O LEU A 13 6.465 -0.504 9.066 1.00 0.00 O ATOM 175 CB LEU A 13 5.445 1.545 6.953 1.00 0.00 C ATOM 176 CG LEU A 13 4.403 1.181 5.882 1.00 0.00 C ATOM 177 CD1 LEU A 13 4.881 1.627 4.509 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.120 -0.311 5.863 1.00 0.00 C ATOM 0 H LEU A 13 6.775 1.823 9.484 1.00 0.00 H new ATOM 0 HA LEU A 13 3.994 1.525 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.695 2.600 6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.353 0.978 6.747 1.00 0.00 H new ATOM 0 HG LEU A 13 3.478 1.700 6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.134 1.363 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.030 2.707 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.822 1.131 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.379 -0.531 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.040 -0.853 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.737 -0.621 6.835 1.00 0.00 H new ATOM 189 N THR A 14 4.282 -0.926 8.907 1.00 0.00 N ATOM 190 CA THR A 14 4.412 -2.309 9.303 1.00 0.00 C ATOM 191 C THR A 14 3.574 -3.186 8.390 1.00 0.00 C ATOM 192 O THR A 14 2.367 -2.996 8.273 1.00 0.00 O ATOM 193 CB THR A 14 3.947 -2.499 10.758 1.00 0.00 C ATOM 194 OG1 THR A 14 4.452 -1.427 11.567 1.00 0.00 O ATOM 195 CG2 THR A 14 4.424 -3.831 11.317 1.00 0.00 C ATOM 0 H THR A 14 3.325 -0.632 8.712 1.00 0.00 H new ATOM 0 HA THR A 14 5.461 -2.594 9.226 1.00 0.00 H new ATOM 0 HB THR A 14 2.857 -2.493 10.774 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.154 -1.548 12.493 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.081 -3.938 12.346 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.020 -4.644 10.714 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.513 -3.867 11.292 1.00 0.00 H new ATOM 203 N ILE A 15 4.211 -4.137 7.742 1.00 0.00 N ATOM 204 CA ILE A 15 3.501 -5.061 6.882 1.00 0.00 C ATOM 205 C ILE A 15 3.515 -6.434 7.512 1.00 0.00 C ATOM 206 O ILE A 15 4.580 -7.007 7.741 1.00 0.00 O ATOM 207 CB ILE A 15 4.128 -5.140 5.481 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.192 -3.747 4.846 1.00 0.00 C ATOM 209 CG2 ILE A 15 3.335 -6.097 4.597 1.00 0.00 C ATOM 210 CD1 ILE A 15 4.802 -3.728 3.460 1.00 0.00 C ATOM 0 H ILE A 15 5.218 -4.291 7.794 1.00 0.00 H new ATOM 0 HA ILE A 15 2.479 -4.698 6.770 1.00 0.00 H new ATOM 0 HB ILE A 15 5.144 -5.522 5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.184 -3.337 4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.770 -3.090 5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.792 -6.142 3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.338 -7.091 5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.308 -5.743 4.507 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.811 -2.706 3.080 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.823 -4.107 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.212 -4.357 2.794 1.00 0.00 H new ATOM 221 N THR A 16 2.348 -6.913 7.877 1.00 0.00 N ATOM 222 CA THR A 16 2.242 -8.170 8.578 1.00 0.00 C ATOM 223 C THR A 16 1.340 -9.128 7.815 1.00 0.00 C ATOM 224 O THR A 16 0.355 -8.703 7.208 1.00 0.00 O ATOM 225 CB THR A 16 1.675 -7.950 9.993 1.00 0.00 C ATOM 226 OG1 THR A 16 2.311 -6.816 10.601 1.00 0.00 O ATOM 227 CG2 THR A 16 1.879 -9.176 10.868 1.00 0.00 C ATOM 0 H THR A 16 1.457 -6.449 7.699 1.00 0.00 H new ATOM 0 HA THR A 16 3.240 -8.602 8.655 1.00 0.00 H new ATOM 0 HB THR A 16 0.604 -7.769 9.902 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.946 -6.679 11.500 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.468 -8.988 11.860 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.371 -10.031 10.421 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.944 -9.390 10.952 1.00 0.00 H new ATOM 235 N GLN A 17 1.667 -10.413 7.846 1.00 0.00 N ATOM 236 CA GLN A 17 0.853 -11.409 7.174 1.00 0.00 C ATOM 237 C GLN A 17 0.531 -12.575 8.099 1.00 0.00 C ATOM 238 O GLN A 17 1.415 -13.150 8.735 1.00 0.00 O ATOM 239 CB GLN A 17 1.525 -11.926 5.893 1.00 0.00 C ATOM 240 CG GLN A 17 2.816 -12.713 6.105 1.00 0.00 C ATOM 241 CD GLN A 17 3.998 -11.847 6.493 1.00 0.00 C ATOM 242 OE1 GLN A 17 4.315 -10.865 5.822 1.00 0.00 O ATOM 243 NE2 GLN A 17 4.678 -12.219 7.566 1.00 0.00 N ATOM 0 H GLN A 17 2.486 -10.786 8.327 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.078 -10.917 6.894 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.816 -12.560 5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.740 -11.075 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.653 -13.460 6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.057 -13.253 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.384 -13.039 8.097 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.495 -11.686 7.862 1.00 0.00 H new ATOM 250 N GLU A 18 -0.736 -12.949 8.112 1.00 0.00 N ATOM 251 CA GLU A 18 -1.189 -14.118 8.847 1.00 0.00 C ATOM 252 C GLU A 18 -1.453 -15.252 7.857 1.00 0.00 C ATOM 253 O GLU A 18 -2.502 -15.289 7.210 1.00 0.00 O ATOM 254 CB GLU A 18 -2.448 -13.786 9.657 1.00 0.00 C ATOM 255 CG GLU A 18 -3.535 -13.097 8.843 1.00 0.00 C ATOM 256 CD GLU A 18 -4.809 -12.874 9.626 1.00 0.00 C ATOM 257 OE1 GLU A 18 -5.309 -13.838 10.243 1.00 0.00 O ATOM 258 OE2 GLU A 18 -5.335 -11.741 9.596 1.00 0.00 O ATOM 0 H GLU A 18 -1.477 -12.454 7.616 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.420 -14.433 9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.851 -14.707 10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.172 -13.145 10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.161 -12.137 8.487 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.757 -13.699 7.962 1.00 0.00 H new ATOM 263 N GLY A 19 -0.408 -16.007 7.554 1.00 0.00 N ATOM 264 CA GLY A 19 -0.483 -16.931 6.442 1.00 0.00 C ATOM 265 C GLY A 19 -0.404 -16.172 5.137 1.00 0.00 C ATOM 266 O GLY A 19 0.605 -15.519 4.865 1.00 0.00 O ATOM 0 H GLY A 19 0.482 -15.997 8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.331 -17.653 6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.414 -17.495 6.489 1.00 0.00 H new ATOM 270 N ASN A 20 -1.544 -16.015 4.481 1.00 0.00 N ATOM 271 CA ASN A 20 -1.633 -15.066 3.391 1.00 0.00 C ATOM 272 C ASN A 20 -2.788 -14.112 3.652 1.00 0.00 C ATOM 273 O ASN A 20 -3.908 -14.323 3.187 1.00 0.00 O ATOM 274 CB ASN A 20 -1.837 -15.789 2.053 1.00 0.00 C ATOM 275 CG ASN A 20 -0.583 -16.488 1.556 1.00 0.00 C ATOM 276 OD1 ASN A 20 0.014 -17.305 2.256 1.00 0.00 O ATOM 277 ND2 ASN A 20 -0.192 -16.196 0.327 1.00 0.00 N ATOM 0 H ASN A 20 -2.404 -16.524 4.682 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.700 -14.506 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.636 -16.523 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.165 -15.068 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.629 -16.654 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.711 -15.513 -0.225 1.00 0.00 H new ATOM 283 N LYS A 21 -2.433 -12.989 4.251 1.00 0.00 N ATOM 284 CA LYS A 21 -3.320 -11.858 4.502 1.00 0.00 C ATOM 285 C LYS A 21 -2.439 -10.715 4.960 1.00 0.00 C ATOM 286 O LYS A 21 -1.828 -10.811 6.022 1.00 0.00 O ATOM 287 CB LYS A 21 -4.370 -12.164 5.588 1.00 0.00 C ATOM 288 CG LYS A 21 -5.607 -12.896 5.088 1.00 0.00 C ATOM 289 CD LYS A 21 -6.561 -13.259 6.222 1.00 0.00 C ATOM 290 CE LYS A 21 -7.433 -12.083 6.655 1.00 0.00 C ATOM 291 NZ LYS A 21 -6.672 -11.035 7.385 1.00 0.00 N ATOM 0 H LYS A 21 -1.484 -12.830 4.590 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.873 -11.620 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.901 -12.763 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.681 -11.226 6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.128 -12.271 4.363 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.304 -13.804 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.200 -14.083 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.985 -13.614 7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.899 -11.640 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.238 -12.450 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.308 -10.537 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.899 -11.478 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.276 -10.356 6.704 1.00 0.00 H new ATOM 301 N PHE A 22 -2.226 -9.736 4.110 1.00 0.00 N ATOM 302 CA PHE A 22 -1.245 -8.710 4.411 1.00 0.00 C ATOM 303 C PHE A 22 -1.910 -7.419 4.854 1.00 0.00 C ATOM 304 O PHE A 22 -2.777 -6.879 4.168 1.00 0.00 O ATOM 305 CB PHE A 22 -0.339 -8.452 3.202 1.00 0.00 C ATOM 306 CG PHE A 22 0.669 -9.542 2.937 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.270 -10.849 2.692 1.00 0.00 C ATOM 308 CD2 PHE A 22 2.024 -9.247 2.918 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.204 -11.837 2.438 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.960 -10.231 2.663 1.00 0.00 C ATOM 311 CZ PHE A 22 2.550 -11.527 2.422 1.00 0.00 C ATOM 0 H PHE A 22 -2.708 -9.626 3.218 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.633 -9.075 5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.962 -8.326 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.192 -7.512 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.781 -11.097 2.700 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.352 -8.235 3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.881 -12.851 2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.012 -9.986 2.652 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.280 -12.297 2.221 1.00 0.00 H new ATOM 320 N THR A 23 -1.456 -6.905 5.980 1.00 0.00 N ATOM 321 CA THR A 23 -1.925 -5.632 6.484 1.00 0.00 C ATOM 322 C THR A 23 -0.772 -4.636 6.491 1.00 0.00 C ATOM 323 O THR A 23 0.332 -4.938 6.951 1.00 0.00 O ATOM 324 CB THR A 23 -2.540 -5.769 7.900 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.074 -4.509 8.338 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.515 -6.268 8.909 1.00 0.00 C ATOM 0 H THR A 23 -0.755 -7.356 6.568 1.00 0.00 H new ATOM 0 HA THR A 23 -2.715 -5.269 5.826 1.00 0.00 H new ATOM 0 HB THR A 23 -3.344 -6.503 7.838 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.461 -4.611 9.233 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.982 -6.352 9.891 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.145 -7.245 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.684 -5.565 8.961 1.00 0.00 H new ATOM 334 N VAL A 24 -1.020 -3.475 5.922 1.00 0.00 N ATOM 335 CA VAL A 24 -0.033 -2.420 5.867 1.00 0.00 C ATOM 336 C VAL A 24 -0.393 -1.362 6.893 1.00 0.00 C ATOM 337 O VAL A 24 -1.511 -0.853 6.896 1.00 0.00 O ATOM 338 CB VAL A 24 0.038 -1.779 4.459 1.00 0.00 C ATOM 339 CG1 VAL A 24 0.905 -0.527 4.466 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.565 -2.776 3.440 1.00 0.00 C ATOM 0 H VAL A 24 -1.911 -3.237 5.485 1.00 0.00 H new ATOM 0 HA VAL A 24 0.946 -2.847 6.085 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.974 -1.491 4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.935 -0.100 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.485 0.202 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.916 -0.786 4.781 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.607 -2.305 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.565 -3.099 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.098 -3.640 3.400 1.00 0.00 H new ATOM 350 N LYS A 25 0.535 -1.054 7.771 1.00 0.00 N ATOM 351 CA LYS A 25 0.290 -0.072 8.806 1.00 0.00 C ATOM 352 C LYS A 25 0.917 1.243 8.397 1.00 0.00 C ATOM 353 O LYS A 25 2.135 1.349 8.297 1.00 0.00 O ATOM 354 CB LYS A 25 0.885 -0.531 10.139 1.00 0.00 C ATOM 355 CG LYS A 25 0.579 0.413 11.286 1.00 0.00 C ATOM 356 CD LYS A 25 1.434 0.130 12.509 1.00 0.00 C ATOM 357 CE LYS A 25 0.988 0.973 13.697 1.00 0.00 C ATOM 358 NZ LYS A 25 0.771 2.399 13.322 1.00 0.00 N ATOM 0 H LYS A 25 1.467 -1.469 7.790 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.786 0.049 8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.500 -1.522 10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.966 -0.626 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.742 1.441 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.474 0.327 11.554 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.369 -0.928 12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.479 0.340 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.065 0.562 14.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.740 0.916 14.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.905 3.002 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.453 2.672 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.196 2.519 12.960 1.00 0.00 H new ATOM 368 N GLU A 26 0.077 2.211 8.089 1.00 0.00 N ATOM 369 CA GLU A 26 0.543 3.494 7.606 1.00 0.00 C ATOM 370 C GLU A 26 0.463 4.546 8.692 1.00 0.00 C ATOM 371 O GLU A 26 -0.520 4.633 9.431 1.00 0.00 O ATOM 372 CB GLU A 26 -0.271 3.932 6.389 1.00 0.00 C ATOM 373 CG GLU A 26 0.169 3.265 5.099 1.00 0.00 C ATOM 374 CD GLU A 26 1.452 3.857 4.549 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.475 3.868 5.268 1.00 0.00 O ATOM 376 OE2 GLU A 26 1.441 4.319 3.390 1.00 0.00 O ATOM 0 H GLU A 26 -0.937 2.132 8.165 1.00 0.00 H new ATOM 0 HA GLU A 26 1.587 3.384 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.323 3.708 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.190 5.013 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.311 2.199 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.621 3.363 4.355 1.00 0.00 H new ATOM 381 N SER A 27 1.511 5.340 8.780 1.00 0.00 N ATOM 382 CA SER A 27 1.574 6.435 9.724 1.00 0.00 C ATOM 383 C SER A 27 2.334 7.587 9.085 1.00 0.00 C ATOM 384 O SER A 27 3.510 7.449 8.744 1.00 0.00 O ATOM 385 CB SER A 27 2.258 5.989 11.021 1.00 0.00 C ATOM 386 OG SER A 27 1.720 4.755 11.469 1.00 0.00 O ATOM 0 H SER A 27 2.343 5.243 8.198 1.00 0.00 H new ATOM 0 HA SER A 27 0.565 6.760 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.331 5.886 10.856 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.125 6.751 11.789 1.00 0.00 H new ATOM 0 HG SER A 27 2.230 4.015 11.079 1.00 0.00 H new ATOM 391 N SER A 28 1.617 8.659 8.788 1.00 0.00 N ATOM 392 CA SER A 28 2.176 9.791 8.064 1.00 0.00 C ATOM 393 C SER A 28 1.342 11.038 8.317 1.00 0.00 C ATOM 394 O SER A 28 0.151 10.933 8.622 1.00 0.00 O ATOM 395 CB SER A 28 2.225 9.498 6.559 1.00 0.00 C ATOM 396 OG SER A 28 3.041 8.369 6.277 1.00 0.00 O ATOM 0 H SER A 28 0.635 8.770 9.041 1.00 0.00 H new ATOM 0 HA SER A 28 3.192 9.959 8.422 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.215 9.321 6.188 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.611 10.369 6.030 1.00 0.00 H new ATOM 0 HG SER A 28 3.558 8.131 7.075 1.00 0.00 H new ATOM 401 N ASN A 29 1.985 12.204 8.226 1.00 0.00 N ATOM 402 CA ASN A 29 1.335 13.498 8.460 1.00 0.00 C ATOM 403 C ASN A 29 0.951 13.653 9.927 1.00 0.00 C ATOM 404 O ASN A 29 1.690 14.252 10.712 1.00 0.00 O ATOM 405 CB ASN A 29 0.091 13.663 7.569 1.00 0.00 C ATOM 406 CG ASN A 29 0.410 13.681 6.082 1.00 0.00 C ATOM 407 OD1 ASN A 29 1.676 13.856 5.730 1.00 0.00 O flip ATOM 408 ND2 ASN A 29 -0.490 13.555 5.250 1.00 0.00 N flip ATOM 0 H ASN A 29 2.974 12.279 7.987 1.00 0.00 H new ATOM 0 HA ASN A 29 2.050 14.278 8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.604 12.849 7.774 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.417 14.590 7.835 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.453 13.422 5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.272 13.584 4.254 1.00 0.00 H new ATOM 414 N PHE A 30 -0.143 13.012 10.307 1.00 0.00 N ATOM 415 CA PHE A 30 -0.592 12.984 11.688 1.00 0.00 C ATOM 416 C PHE A 30 -1.666 11.922 11.796 1.00 0.00 C ATOM 417 O PHE A 30 -2.810 12.201 12.157 1.00 0.00 O ATOM 418 CB PHE A 30 -1.133 14.352 12.114 1.00 0.00 C ATOM 419 CG PHE A 30 -1.344 14.475 13.596 1.00 0.00 C ATOM 420 CD1 PHE A 30 -0.389 14.009 14.486 1.00 0.00 C ATOM 421 CD2 PHE A 30 -2.494 15.058 14.099 1.00 0.00 C ATOM 422 CE1 PHE A 30 -0.578 14.121 15.848 1.00 0.00 C ATOM 423 CE2 PHE A 30 -2.689 15.173 15.461 1.00 0.00 C ATOM 424 CZ PHE A 30 -1.730 14.702 16.337 1.00 0.00 C ATOM 0 H PHE A 30 -0.745 12.496 9.665 1.00 0.00 H new ATOM 0 HA PHE A 30 0.240 12.751 12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.439 15.127 11.788 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.078 14.536 11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.514 13.553 14.109 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.247 15.427 13.419 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.175 13.754 16.530 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.590 15.631 15.841 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.882 14.788 17.403 1.00 0.00 H new ATOM 433 N ARG A 31 -1.345 10.770 11.235 1.00 0.00 N ATOM 434 CA ARG A 31 -2.326 9.732 11.007 1.00 0.00 C ATOM 435 C ARG A 31 -1.717 8.356 11.194 1.00 0.00 C ATOM 436 O ARG A 31 -0.557 8.133 10.853 1.00 0.00 O ATOM 437 CB ARG A 31 -2.854 9.856 9.579 1.00 0.00 C ATOM 438 CG ARG A 31 -4.360 9.941 9.488 1.00 0.00 C ATOM 439 CD ARG A 31 -4.913 10.916 10.512 1.00 0.00 C ATOM 440 NE ARG A 31 -6.353 11.107 10.400 1.00 0.00 N ATOM 441 CZ ARG A 31 -7.054 11.901 11.202 1.00 0.00 C ATOM 442 NH1 ARG A 31 -6.456 12.550 12.196 1.00 0.00 N ATOM 443 NH2 ARG A 31 -8.354 12.046 11.010 1.00 0.00 N ATOM 0 H ARG A 31 -0.402 10.531 10.927 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.135 9.852 11.728 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.421 10.744 9.118 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.513 8.998 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.650 10.257 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.794 8.954 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.677 10.555 11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.415 11.878 10.395 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.850 10.603 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.453 12.440 12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.000 13.158 12.808 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.816 11.549 10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.895 12.655 11.624 1.00 0.00 H new ATOM 454 N ASN A 32 -2.534 7.422 11.640 1.00 0.00 N ATOM 455 CA ASN A 32 -2.117 6.040 11.761 1.00 0.00 C ATOM 456 C ASN A 32 -3.294 5.123 11.450 1.00 0.00 C ATOM 457 O ASN A 32 -4.364 5.234 12.049 1.00 0.00 O ATOM 458 CB ASN A 32 -1.528 5.764 13.158 1.00 0.00 C ATOM 459 CG ASN A 32 -2.503 6.004 14.298 1.00 0.00 C ATOM 460 OD1 ASN A 32 -3.362 5.170 14.589 1.00 0.00 O ATOM 461 ND2 ASN A 32 -2.381 7.149 14.952 1.00 0.00 N ATOM 0 H ASN A 32 -3.497 7.598 11.926 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.326 5.838 11.039 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.185 4.730 13.199 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.652 6.397 13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.011 7.364 15.725 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.657 7.816 14.683 1.00 0.00 H new ATOM 467 N ILE A 33 -3.153 4.361 10.379 1.00 0.00 N ATOM 468 CA ILE A 33 -4.253 3.559 9.863 1.00 0.00 C ATOM 469 C ILE A 33 -3.713 2.334 9.123 1.00 0.00 C ATOM 470 O ILE A 33 -2.698 2.413 8.433 1.00 0.00 O ATOM 471 CB ILE A 33 -5.162 4.421 8.940 1.00 0.00 C ATOM 472 CG1 ILE A 33 -6.366 3.623 8.403 1.00 0.00 C ATOM 473 CG2 ILE A 33 -4.350 5.024 7.800 1.00 0.00 C ATOM 474 CD1 ILE A 33 -6.131 2.916 7.079 1.00 0.00 C ATOM 0 H ILE A 33 -2.286 4.280 9.848 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.859 3.208 10.698 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.565 5.233 9.545 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.652 2.880 9.148 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.211 4.302 8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.003 5.623 7.165 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.562 5.656 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.904 4.225 7.209 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.035 2.383 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.878 3.650 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.310 2.207 7.186 1.00 0.00 H new ATOM 485 N ASP A 34 -4.330 1.184 9.367 1.00 0.00 N ATOM 486 CA ASP A 34 -3.869 -0.075 8.785 1.00 0.00 C ATOM 487 C ASP A 34 -4.778 -0.489 7.639 1.00 0.00 C ATOM 488 O ASP A 34 -6.006 -0.434 7.754 1.00 0.00 O ATOM 489 CB ASP A 34 -3.834 -1.211 9.823 1.00 0.00 C ATOM 490 CG ASP A 34 -3.018 -0.896 11.069 1.00 0.00 C ATOM 491 OD1 ASP A 34 -3.293 0.125 11.741 1.00 0.00 O ATOM 492 OD2 ASP A 34 -2.121 -1.697 11.408 1.00 0.00 O ATOM 0 H ASP A 34 -5.152 1.095 9.964 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.855 0.095 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.856 -1.446 10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.426 -2.105 9.352 1.00 0.00 H new ATOM 496 N VAL A 35 -4.173 -0.958 6.561 1.00 0.00 N ATOM 497 CA VAL A 35 -4.914 -1.455 5.414 1.00 0.00 C ATOM 498 C VAL A 35 -4.669 -2.949 5.267 1.00 0.00 C ATOM 499 O VAL A 35 -3.534 -3.372 5.073 1.00 0.00 O ATOM 500 CB VAL A 35 -4.481 -0.748 4.111 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.435 -1.084 2.973 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.387 0.759 4.312 1.00 0.00 C ATOM 0 H VAL A 35 -3.160 -1.005 6.456 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.972 -1.252 5.582 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.489 -1.113 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.111 -0.576 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.436 -2.161 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.441 -0.756 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.080 1.232 3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.360 1.147 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.653 0.978 5.088 1.00 0.00 H new ATOM 512 N VAL A 36 -5.709 -3.749 5.403 1.00 0.00 N ATOM 513 CA VAL A 36 -5.561 -5.193 5.306 1.00 0.00 C ATOM 514 C VAL A 36 -6.152 -5.716 4.000 1.00 0.00 C ATOM 515 O VAL A 36 -7.194 -5.244 3.542 1.00 0.00 O ATOM 516 CB VAL A 36 -6.202 -5.923 6.513 1.00 0.00 C ATOM 517 CG1 VAL A 36 -7.700 -5.662 6.588 1.00 0.00 C ATOM 518 CG2 VAL A 36 -5.919 -7.418 6.450 1.00 0.00 C ATOM 0 H VAL A 36 -6.661 -3.429 5.580 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.492 -5.405 5.318 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.749 -5.524 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.119 -6.189 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.878 -4.592 6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.178 -6.018 5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.378 -7.912 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.334 -7.828 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.842 -7.586 6.469 1.00 0.00 H new ATOM 528 N PHE A 37 -5.443 -6.643 3.371 1.00 0.00 N ATOM 529 CA PHE A 37 -5.857 -7.190 2.090 1.00 0.00 C ATOM 530 C PHE A 37 -5.378 -8.627 1.932 1.00 0.00 C ATOM 531 O PHE A 37 -4.274 -8.980 2.352 1.00 0.00 O ATOM 532 CB PHE A 37 -5.332 -6.321 0.938 1.00 0.00 C ATOM 533 CG PHE A 37 -3.885 -5.928 1.074 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.873 -6.774 0.649 1.00 0.00 C ATOM 535 CD2 PHE A 37 -3.541 -4.710 1.637 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.546 -6.410 0.781 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.218 -4.343 1.774 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.219 -5.194 1.346 1.00 0.00 C ATOM 0 H PHE A 37 -4.572 -7.033 3.732 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.947 -7.189 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.464 -6.861 0.000 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.938 -5.417 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.124 -7.728 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.318 -4.039 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.766 -7.076 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.964 -3.391 2.216 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.183 -4.909 1.453 1.00 0.00 H new ATOM 547 N GLU A 38 -6.200 -9.443 1.302 1.00 0.00 N ATOM 548 CA GLU A 38 -5.833 -10.817 1.030 1.00 0.00 C ATOM 549 C GLU A 38 -5.455 -10.951 -0.439 1.00 0.00 C ATOM 550 O GLU A 38 -5.976 -10.226 -1.289 1.00 0.00 O ATOM 551 CB GLU A 38 -6.974 -11.769 1.393 1.00 0.00 C ATOM 552 CG GLU A 38 -6.622 -13.237 1.206 1.00 0.00 C ATOM 553 CD GLU A 38 -7.716 -14.173 1.674 1.00 0.00 C ATOM 554 OE1 GLU A 38 -8.684 -13.703 2.306 1.00 0.00 O ATOM 555 OE2 GLU A 38 -7.606 -15.390 1.421 1.00 0.00 O ATOM 0 H GLU A 38 -7.127 -9.177 0.969 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.976 -11.089 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.260 -11.602 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.844 -11.531 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.418 -13.424 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.705 -13.457 1.752 1.00 0.00 H new ATOM 560 N LEU A 39 -4.443 -11.762 -0.704 1.00 0.00 N ATOM 561 CA LEU A 39 -3.883 -11.886 -2.041 1.00 0.00 C ATOM 562 C LEU A 39 -4.937 -12.347 -3.042 1.00 0.00 C ATOM 563 O LEU A 39 -5.533 -13.414 -2.894 1.00 0.00 O ATOM 564 CB LEU A 39 -2.698 -12.861 -2.041 1.00 0.00 C ATOM 565 CG LEU A 39 -1.451 -12.395 -1.277 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.665 -12.465 0.229 1.00 0.00 C ATOM 567 CD2 LEU A 39 -0.245 -13.226 -1.681 1.00 0.00 C ATOM 0 H LEU A 39 -3.989 -12.349 -0.004 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.531 -10.900 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.030 -13.807 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.415 -13.059 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.266 -11.353 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.763 -12.128 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.501 -11.824 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.884 -13.493 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.632 -12.885 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.432 -14.275 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.069 -13.115 -2.751 1.00 0.00 H new ATOM 578 N GLY A 40 -5.145 -11.534 -4.067 1.00 0.00 N ATOM 579 CA GLY A 40 -6.102 -11.854 -5.103 1.00 0.00 C ATOM 580 C GLY A 40 -7.535 -11.671 -4.657 1.00 0.00 C ATOM 581 O GLY A 40 -8.435 -12.336 -5.166 1.00 0.00 O ATOM 0 H GLY A 40 -4.660 -10.647 -4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.914 -11.223 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.955 -12.886 -5.421 1.00 0.00 H new ATOM 585 N VAL A 41 -7.761 -10.737 -3.745 1.00 0.00 N ATOM 586 CA VAL A 41 -9.105 -10.450 -3.276 1.00 0.00 C ATOM 587 C VAL A 41 -9.478 -9.006 -3.586 1.00 0.00 C ATOM 588 O VAL A 41 -8.645 -8.102 -3.485 1.00 0.00 O ATOM 589 CB VAL A 41 -9.245 -10.728 -1.759 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.612 -10.304 -1.242 1.00 0.00 C ATOM 591 CG2 VAL A 41 -9.008 -12.201 -1.469 1.00 0.00 C ATOM 0 H VAL A 41 -7.032 -10.167 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.791 -11.113 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.491 -10.137 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.678 -10.513 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.750 -9.236 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.388 -10.859 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.110 -12.382 -0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.740 -12.801 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.004 -12.478 -1.790 1.00 0.00 H new ATOM 601 N ASP A 42 -10.708 -8.811 -4.038 1.00 0.00 N ATOM 602 CA ASP A 42 -11.216 -7.486 -4.378 1.00 0.00 C ATOM 603 C ASP A 42 -12.158 -7.010 -3.283 1.00 0.00 C ATOM 604 O ASP A 42 -12.835 -7.822 -2.652 1.00 0.00 O ATOM 605 CB ASP A 42 -11.951 -7.514 -5.722 1.00 0.00 C ATOM 606 CG ASP A 42 -13.240 -8.308 -5.677 1.00 0.00 C ATOM 607 OD1 ASP A 42 -13.183 -9.541 -5.474 1.00 0.00 O ATOM 608 OD2 ASP A 42 -14.323 -7.704 -5.839 1.00 0.00 O ATOM 0 H ASP A 42 -11.382 -9.563 -4.180 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.374 -6.799 -4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.171 -6.492 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.294 -7.941 -6.480 1.00 0.00 H new ATOM 612 N PHE A 43 -12.094 -5.728 -2.957 1.00 0.00 N ATOM 613 CA PHE A 43 -12.850 -5.202 -1.827 1.00 0.00 C ATOM 614 C PHE A 43 -12.946 -3.682 -1.873 1.00 0.00 C ATOM 615 O PHE A 43 -12.051 -3.002 -2.381 1.00 0.00 O ATOM 616 CB PHE A 43 -12.202 -5.653 -0.509 1.00 0.00 C ATOM 617 CG PHE A 43 -10.743 -5.302 -0.404 1.00 0.00 C ATOM 618 CD1 PHE A 43 -10.343 -4.087 0.127 1.00 0.00 C ATOM 619 CD2 PHE A 43 -9.773 -6.191 -0.841 1.00 0.00 C ATOM 620 CE1 PHE A 43 -9.003 -3.765 0.219 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.434 -5.874 -0.753 1.00 0.00 C ATOM 622 CZ PHE A 43 -8.047 -4.658 -0.223 1.00 0.00 C ATOM 0 H PHE A 43 -11.532 -5.036 -3.453 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.864 -5.598 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.738 -5.197 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.316 -6.732 -0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.087 -3.384 0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.070 -7.143 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.703 -2.815 0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.689 -6.575 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.999 -4.407 -0.155 1.00 0.00 H new ATOM 631 N ALA A 44 -14.033 -3.160 -1.326 1.00 0.00 N ATOM 632 CA ALA A 44 -14.228 -1.725 -1.216 1.00 0.00 C ATOM 633 C ALA A 44 -13.998 -1.288 0.223 1.00 0.00 C ATOM 634 O ALA A 44 -14.411 -1.983 1.157 1.00 0.00 O ATOM 635 CB ALA A 44 -15.628 -1.343 -1.670 1.00 0.00 C ATOM 0 H ALA A 44 -14.800 -3.716 -0.948 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.511 -1.217 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.758 -0.264 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.767 -1.641 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.364 -1.849 -1.045 1.00 0.00 H new ATOM 641 N TYR A 45 -13.284 -0.190 0.411 1.00 0.00 N ATOM 642 CA TYR A 45 -12.950 0.266 1.751 1.00 0.00 C ATOM 643 C TYR A 45 -12.588 1.747 1.743 1.00 0.00 C ATOM 644 O TYR A 45 -12.044 2.258 0.763 1.00 0.00 O ATOM 645 CB TYR A 45 -11.786 -0.559 2.313 1.00 0.00 C ATOM 646 CG TYR A 45 -11.522 -0.324 3.785 1.00 0.00 C ATOM 647 CD1 TYR A 45 -12.536 -0.469 4.723 1.00 0.00 C ATOM 648 CD2 TYR A 45 -10.264 0.048 4.233 1.00 0.00 C ATOM 649 CE1 TYR A 45 -12.300 -0.250 6.066 1.00 0.00 C ATOM 650 CE2 TYR A 45 -10.020 0.272 5.573 1.00 0.00 C ATOM 651 CZ TYR A 45 -11.042 0.122 6.485 1.00 0.00 C ATOM 652 OH TYR A 45 -10.807 0.358 7.821 1.00 0.00 O ATOM 0 H TYR A 45 -12.927 0.399 -0.341 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.823 0.130 2.389 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.994 -1.617 2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.882 -0.325 1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.524 -0.757 4.397 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.460 0.165 3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -13.098 -0.370 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.034 0.563 5.905 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.869 0.610 7.949 1.00 0.00 H new ATOM 661 N SER A 46 -12.866 2.421 2.851 1.00 0.00 N ATOM 662 CA SER A 46 -12.530 3.823 2.998 1.00 0.00 C ATOM 663 C SER A 46 -11.285 3.962 3.857 1.00 0.00 C ATOM 664 O SER A 46 -11.200 3.396 4.949 1.00 0.00 O ATOM 665 CB SER A 46 -13.696 4.585 3.631 1.00 0.00 C ATOM 666 OG SER A 46 -13.326 5.911 3.978 1.00 0.00 O ATOM 0 H SER A 46 -13.327 2.012 3.664 1.00 0.00 H new ATOM 0 HA SER A 46 -12.334 4.247 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.535 4.611 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.036 4.057 4.522 1.00 0.00 H new ATOM 0 HG SER A 46 -14.093 6.371 4.378 1.00 0.00 H new ATOM 671 N LEU A 47 -10.301 4.666 3.325 1.00 0.00 N ATOM 672 CA LEU A 47 -9.035 4.861 4.008 1.00 0.00 C ATOM 673 C LEU A 47 -8.905 6.297 4.497 1.00 0.00 C ATOM 674 O LEU A 47 -9.126 7.241 3.732 1.00 0.00 O ATOM 675 CB LEU A 47 -7.871 4.526 3.071 1.00 0.00 C ATOM 676 CG LEU A 47 -7.831 3.086 2.560 1.00 0.00 C ATOM 677 CD1 LEU A 47 -6.752 2.929 1.498 1.00 0.00 C ATOM 678 CD2 LEU A 47 -7.586 2.126 3.709 1.00 0.00 C ATOM 0 H LEU A 47 -10.357 5.117 2.412 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.005 4.193 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.914 5.197 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.937 4.734 3.592 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.795 2.850 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.737 1.898 1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.964 3.596 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.781 3.180 1.926 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.560 1.104 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.633 2.362 4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.389 2.221 4.440 1.00 0.00 H new ATOM 689 N ALA A 48 -8.563 6.441 5.777 1.00 0.00 N ATOM 690 CA ALA A 48 -8.369 7.744 6.411 1.00 0.00 C ATOM 691 C ALA A 48 -9.559 8.676 6.195 1.00 0.00 C ATOM 692 O ALA A 48 -9.398 9.901 6.162 1.00 0.00 O ATOM 693 CB ALA A 48 -7.084 8.390 5.908 1.00 0.00 C ATOM 0 H ALA A 48 -8.412 5.653 6.406 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.288 7.574 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.952 9.360 6.388 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.236 7.748 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.143 8.525 4.828 1.00 0.00 H new ATOM 699 N ASP A 49 -10.755 8.091 6.112 1.00 0.00 N ATOM 700 CA ASP A 49 -11.995 8.850 5.942 1.00 0.00 C ATOM 701 C ASP A 49 -11.881 9.840 4.791 1.00 0.00 C ATOM 702 O ASP A 49 -12.203 11.018 4.939 1.00 0.00 O ATOM 703 CB ASP A 49 -12.376 9.581 7.235 1.00 0.00 C ATOM 704 CG ASP A 49 -13.072 8.681 8.236 1.00 0.00 C ATOM 705 OD1 ASP A 49 -12.462 7.683 8.682 1.00 0.00 O ATOM 706 OD2 ASP A 49 -14.237 8.967 8.586 1.00 0.00 O ATOM 0 H ASP A 49 -10.891 7.081 6.161 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.784 8.137 5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.477 9.996 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.028 10.421 6.994 1.00 0.00 H new ATOM 710 N GLY A 50 -11.375 9.370 3.661 1.00 0.00 N ATOM 711 CA GLY A 50 -11.186 10.246 2.525 1.00 0.00 C ATOM 712 C GLY A 50 -11.156 9.501 1.212 1.00 0.00 C ATOM 713 O GLY A 50 -11.875 9.856 0.282 1.00 0.00 O ATOM 0 H GLY A 50 -11.093 8.401 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.989 10.982 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.253 10.796 2.647 1.00 0.00 H new ATOM 717 N THR A 51 -10.330 8.473 1.120 1.00 0.00 N ATOM 718 CA THR A 51 -10.245 7.691 -0.100 1.00 0.00 C ATOM 719 C THR A 51 -11.158 6.471 -0.015 1.00 0.00 C ATOM 720 O THR A 51 -11.005 5.642 0.879 1.00 0.00 O ATOM 721 CB THR A 51 -8.798 7.231 -0.366 1.00 0.00 C ATOM 722 OG1 THR A 51 -8.341 6.409 0.711 1.00 0.00 O ATOM 723 CG2 THR A 51 -7.866 8.419 -0.530 1.00 0.00 C ATOM 0 H THR A 51 -9.713 8.162 1.870 1.00 0.00 H new ATOM 0 HA THR A 51 -10.566 8.328 -0.924 1.00 0.00 H new ATOM 0 HB THR A 51 -8.792 6.658 -1.293 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.062 5.807 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.853 8.063 -0.716 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.197 9.028 -1.371 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.878 9.019 0.380 1.00 0.00 H new ATOM 731 N GLU A 52 -12.060 6.322 -0.976 1.00 0.00 N ATOM 732 CA GLU A 52 -12.933 5.165 -1.014 1.00 0.00 C ATOM 733 C GLU A 52 -12.553 4.303 -2.196 1.00 0.00 C ATOM 734 O GLU A 52 -12.927 4.597 -3.329 1.00 0.00 O ATOM 735 CB GLU A 52 -14.395 5.595 -1.129 1.00 0.00 C ATOM 736 CG GLU A 52 -14.844 6.562 -0.044 1.00 0.00 C ATOM 737 CD GLU A 52 -16.345 6.542 0.144 1.00 0.00 C ATOM 738 OE1 GLU A 52 -16.912 5.440 0.299 1.00 0.00 O ATOM 739 OE2 GLU A 52 -16.974 7.622 0.123 1.00 0.00 O ATOM 0 H GLU A 52 -12.203 6.988 -1.736 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.818 4.599 -0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.550 6.060 -2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.027 4.708 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.357 6.304 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.524 7.571 -0.302 1.00 0.00 H new ATOM 744 N LEU A 53 -11.671 3.356 -1.969 1.00 0.00 N ATOM 745 CA LEU A 53 -11.126 2.581 -3.065 1.00 0.00 C ATOM 746 C LEU A 53 -11.759 1.200 -3.125 1.00 0.00 C ATOM 747 O LEU A 53 -11.698 0.431 -2.167 1.00 0.00 O ATOM 748 CB LEU A 53 -9.602 2.432 -2.930 1.00 0.00 C ATOM 749 CG LEU A 53 -8.749 3.611 -3.420 1.00 0.00 C ATOM 750 CD1 LEU A 53 -9.066 4.876 -2.645 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.274 3.279 -3.286 1.00 0.00 C ATOM 0 H LEU A 53 -11.317 3.104 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.353 3.119 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.369 2.256 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.297 1.540 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.986 3.786 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.447 5.694 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.118 5.129 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.861 4.715 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.678 4.122 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.040 3.079 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.044 2.398 -3.885 1.00 0.00 H new ATOM 762 N THR A 54 -12.269 0.861 -4.293 1.00 0.00 N ATOM 763 CA THR A 54 -12.757 -0.480 -4.558 1.00 0.00 C ATOM 764 C THR A 54 -11.784 -1.173 -5.496 1.00 0.00 C ATOM 765 O THR A 54 -11.551 -0.689 -6.606 1.00 0.00 O ATOM 766 CB THR A 54 -14.144 -0.441 -5.216 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.976 0.499 -4.527 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.798 -1.812 -5.199 1.00 0.00 C ATOM 0 H THR A 54 -12.357 1.502 -5.081 1.00 0.00 H new ATOM 0 HA THR A 54 -12.838 -1.019 -3.614 1.00 0.00 H new ATOM 0 HB THR A 54 -14.022 -0.135 -6.255 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.860 0.524 -4.949 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.779 -1.753 -5.671 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.174 -2.520 -5.745 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.911 -2.148 -4.168 1.00 0.00 H new ATOM 776 N GLY A 55 -11.091 -2.187 -5.011 1.00 0.00 N ATOM 777 CA GLY A 55 -10.056 -2.777 -5.822 1.00 0.00 C ATOM 778 C GLY A 55 -9.552 -4.102 -5.311 1.00 0.00 C ATOM 779 O GLY A 55 -9.796 -4.474 -4.165 1.00 0.00 O ATOM 0 H GLY A 55 -11.223 -2.604 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.436 -2.911 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.219 -2.082 -5.885 1.00 0.00 H new ATOM 783 N THR A 56 -8.818 -4.794 -6.168 1.00 0.00 N ATOM 784 CA THR A 56 -8.208 -6.063 -5.821 1.00 0.00 C ATOM 785 C THR A 56 -6.687 -5.910 -5.735 1.00 0.00 C ATOM 786 O THR A 56 -6.093 -5.116 -6.474 1.00 0.00 O ATOM 787 CB THR A 56 -8.577 -7.155 -6.854 1.00 0.00 C ATOM 788 OG1 THR A 56 -8.124 -8.438 -6.409 1.00 0.00 O ATOM 789 CG2 THR A 56 -7.987 -6.851 -8.226 1.00 0.00 C ATOM 0 H THR A 56 -8.630 -4.490 -7.123 1.00 0.00 H new ATOM 0 HA THR A 56 -8.591 -6.371 -4.848 1.00 0.00 H new ATOM 0 HB THR A 56 -9.663 -7.165 -6.944 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.366 -9.118 -7.072 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.267 -7.639 -8.925 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.371 -5.896 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.901 -6.801 -8.152 1.00 0.00 H new ATOM 797 N TRP A 57 -6.072 -6.619 -4.796 1.00 0.00 N ATOM 798 CA TRP A 57 -4.628 -6.548 -4.594 1.00 0.00 C ATOM 799 C TRP A 57 -4.005 -7.926 -4.797 1.00 0.00 C ATOM 800 O TRP A 57 -4.522 -8.920 -4.286 1.00 0.00 O ATOM 801 CB TRP A 57 -4.318 -6.044 -3.181 1.00 0.00 C ATOM 802 CG TRP A 57 -2.877 -5.694 -2.964 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.849 -6.558 -2.713 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.312 -4.381 -2.939 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.677 -5.862 -2.560 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.934 -4.524 -2.690 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.834 -3.097 -3.111 1.00 0.00 C ATOM 808 CZ2 TRP A 57 -0.076 -3.433 -2.608 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.982 -2.014 -3.028 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.614 -2.189 -2.779 1.00 0.00 C ATOM 0 H TRP A 57 -6.553 -7.253 -4.159 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.206 -5.853 -5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.930 -5.165 -2.977 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.608 -6.809 -2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.945 -7.632 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.238 -6.275 -2.379 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.887 -2.954 -3.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 0.979 -3.564 -2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.376 -1.017 -3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.028 -1.323 -2.721 1.00 0.00 H new ATOM 820 N THR A 58 -2.891 -7.986 -5.515 1.00 0.00 N ATOM 821 CA THR A 58 -2.198 -9.243 -5.751 1.00 0.00 C ATOM 822 C THR A 58 -0.697 -9.084 -5.540 1.00 0.00 C ATOM 823 O THR A 58 -0.077 -8.160 -6.071 1.00 0.00 O ATOM 824 CB THR A 58 -2.444 -9.772 -7.182 1.00 0.00 C ATOM 825 OG1 THR A 58 -2.081 -8.776 -8.146 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.897 -10.170 -7.381 1.00 0.00 C ATOM 0 H THR A 58 -2.448 -7.174 -5.945 1.00 0.00 H new ATOM 0 HA THR A 58 -2.598 -9.960 -5.035 1.00 0.00 H new ATOM 0 HB THR A 58 -1.823 -10.657 -7.322 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.896 -7.930 -7.688 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.038 -10.538 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.160 -10.955 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.537 -9.303 -7.217 1.00 0.00 H new ATOM 834 N MET A 59 -0.095 -10.055 -4.881 1.00 0.00 N ATOM 835 CA MET A 59 1.348 -10.092 -4.756 1.00 0.00 C ATOM 836 C MET A 59 1.915 -11.144 -5.693 1.00 0.00 C ATOM 837 O MET A 59 1.645 -12.337 -5.541 1.00 0.00 O ATOM 838 CB MET A 59 1.784 -10.392 -3.317 1.00 0.00 C ATOM 839 CG MET A 59 3.283 -10.628 -3.180 1.00 0.00 C ATOM 840 SD MET A 59 3.784 -11.011 -1.489 1.00 0.00 S ATOM 841 CE MET A 59 3.535 -9.425 -0.699 1.00 0.00 C ATOM 0 H MET A 59 -0.582 -10.827 -4.425 1.00 0.00 H new ATOM 0 HA MET A 59 1.734 -9.108 -5.024 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.494 -9.560 -2.676 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.250 -11.272 -2.959 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.578 -11.448 -3.835 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.818 -9.741 -3.520 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.085 -9.397 0.242 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.895 -8.632 -1.354 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.473 -9.279 -0.503 1.00 0.00 H new ATOM 849 N GLU A 60 2.704 -10.697 -6.650 1.00 0.00 N ATOM 850 CA GLU A 60 3.353 -11.593 -7.588 1.00 0.00 C ATOM 851 C GLU A 60 4.819 -11.741 -7.205 1.00 0.00 C ATOM 852 O GLU A 60 5.600 -10.806 -7.373 1.00 0.00 O ATOM 853 CB GLU A 60 3.218 -11.025 -9.003 1.00 0.00 C ATOM 854 CG GLU A 60 3.787 -11.916 -10.090 1.00 0.00 C ATOM 855 CD GLU A 60 3.593 -11.327 -11.470 1.00 0.00 C ATOM 856 OE1 GLU A 60 4.194 -10.274 -11.770 1.00 0.00 O ATOM 857 OE2 GLU A 60 2.816 -11.903 -12.257 1.00 0.00 O ATOM 0 H GLU A 60 2.913 -9.710 -6.799 1.00 0.00 H new ATOM 0 HA GLU A 60 2.882 -12.576 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.163 -10.846 -9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.719 -10.058 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.851 -12.073 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.308 -12.894 -10.044 1.00 0.00 H new ATOM 862 N GLY A 61 5.161 -12.862 -6.584 1.00 0.00 N ATOM 863 CA GLY A 61 6.500 -13.030 -6.058 1.00 0.00 C ATOM 864 C GLY A 61 6.807 -11.994 -4.994 1.00 0.00 C ATOM 865 O GLY A 61 6.137 -11.930 -3.965 1.00 0.00 O ATOM 0 H GLY A 61 4.537 -13.655 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.605 -14.030 -5.636 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.224 -12.948 -6.868 1.00 0.00 H new ATOM 869 N ASN A 62 7.722 -11.094 -5.303 1.00 0.00 N ATOM 870 CA ASN A 62 8.003 -9.955 -4.440 1.00 0.00 C ATOM 871 C ASN A 62 7.609 -8.670 -5.158 1.00 0.00 C ATOM 872 O ASN A 62 8.404 -7.739 -5.295 1.00 0.00 O ATOM 873 CB ASN A 62 9.481 -9.923 -4.031 1.00 0.00 C ATOM 874 CG ASN A 62 9.833 -10.982 -2.996 1.00 0.00 C ATOM 875 OD1 ASN A 62 8.844 -11.744 -2.550 1.00 0.00 O flip ATOM 876 ND2 ASN A 62 10.990 -11.119 -2.598 1.00 0.00 N flip ATOM 0 H ASN A 62 8.288 -11.128 -6.151 1.00 0.00 H new ATOM 0 HA ASN A 62 7.416 -10.049 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.101 -10.067 -4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.721 -8.938 -3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.729 -10.517 -2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.210 -11.835 -1.905 1.00 0.00 H new ATOM 882 N LYS A 63 6.367 -8.646 -5.626 1.00 0.00 N ATOM 883 CA LYS A 63 5.820 -7.513 -6.350 1.00 0.00 C ATOM 884 C LYS A 63 4.404 -7.264 -5.881 1.00 0.00 C ATOM 885 O LYS A 63 3.648 -8.200 -5.620 1.00 0.00 O ATOM 886 CB LYS A 63 5.808 -7.745 -7.868 1.00 0.00 C ATOM 887 CG LYS A 63 7.150 -7.544 -8.558 1.00 0.00 C ATOM 888 CD LYS A 63 7.997 -8.804 -8.539 1.00 0.00 C ATOM 889 CE LYS A 63 9.349 -8.576 -9.194 1.00 0.00 C ATOM 890 NZ LYS A 63 10.103 -9.846 -9.351 1.00 0.00 N ATOM 0 H LYS A 63 5.710 -9.418 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 63 6.457 -6.652 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.464 -8.761 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.080 -7.070 -8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.984 -7.235 -9.590 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.692 -6.736 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.141 -9.131 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.471 -9.605 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.207 -8.114 -10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.932 -7.878 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.020 -9.652 -9.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.260 -10.274 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.558 -10.502 -9.945 1.00 0.00 H new ATOM 900 N LEU A 64 4.082 -6.010 -5.705 1.00 0.00 N ATOM 901 CA LEU A 64 2.790 -5.606 -5.208 1.00 0.00 C ATOM 902 C LEU A 64 2.008 -4.919 -6.311 1.00 0.00 C ATOM 903 O LEU A 64 2.357 -3.823 -6.735 1.00 0.00 O ATOM 904 CB LEU A 64 3.016 -4.680 -4.019 1.00 0.00 C ATOM 905 CG LEU A 64 3.705 -5.355 -2.832 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.254 -4.316 -1.865 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.734 -6.282 -2.118 1.00 0.00 C ATOM 0 H LEU A 64 4.712 -5.233 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 64 2.206 -6.468 -4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.618 -3.831 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.055 -4.283 -3.692 1.00 0.00 H new ATOM 0 HG LEU A 64 4.540 -5.945 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.740 -4.818 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.979 -3.686 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.437 -3.698 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.237 -6.756 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.882 -5.707 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.386 -7.048 -2.811 1.00 0.00 H new ATOM 918 N VAL A 65 1.037 -5.627 -6.860 1.00 0.00 N ATOM 919 CA VAL A 65 0.289 -5.139 -8.008 1.00 0.00 C ATOM 920 C VAL A 65 -1.206 -5.251 -7.742 1.00 0.00 C ATOM 921 O VAL A 65 -1.663 -6.230 -7.162 1.00 0.00 O ATOM 922 CB VAL A 65 0.647 -5.938 -9.287 1.00 0.00 C ATOM 923 CG1 VAL A 65 -0.104 -5.402 -10.500 1.00 0.00 C ATOM 924 CG2 VAL A 65 2.150 -5.920 -9.537 1.00 0.00 C ATOM 0 H VAL A 65 0.746 -6.547 -6.528 1.00 0.00 H new ATOM 0 HA VAL A 65 0.556 -4.094 -8.165 1.00 0.00 H new ATOM 0 HB VAL A 65 0.338 -6.971 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.168 -5.982 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.177 -5.483 -10.329 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.160 -4.356 -10.658 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.375 -6.487 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.486 -4.891 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.665 -6.369 -8.688 1.00 0.00 H new ATOM 934 N GLY A 66 -1.965 -4.260 -8.170 1.00 0.00 N ATOM 935 CA GLY A 66 -3.397 -4.308 -7.989 1.00 0.00 C ATOM 936 C GLY A 66 -4.101 -3.262 -8.817 1.00 0.00 C ATOM 937 O GLY A 66 -3.524 -2.729 -9.766 1.00 0.00 O ATOM 0 H GLY A 66 -1.617 -3.424 -8.639 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.765 -5.297 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.636 -4.159 -6.936 1.00 0.00 H new ATOM 941 N LYS A 67 -5.324 -2.933 -8.435 1.00 0.00 N ATOM 942 CA LYS A 67 -6.098 -1.920 -9.134 1.00 0.00 C ATOM 943 C LYS A 67 -7.280 -1.494 -8.279 1.00 0.00 C ATOM 944 O LYS A 67 -8.156 -2.304 -7.979 1.00 0.00 O ATOM 945 CB LYS A 67 -6.583 -2.464 -10.481 1.00 0.00 C ATOM 946 CG LYS A 67 -7.301 -1.437 -11.338 1.00 0.00 C ATOM 947 CD LYS A 67 -7.712 -2.002 -12.693 1.00 0.00 C ATOM 948 CE LYS A 67 -6.519 -2.217 -13.621 1.00 0.00 C ATOM 949 NZ LYS A 67 -5.762 -3.458 -13.310 1.00 0.00 N ATOM 0 H LYS A 67 -5.804 -3.355 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.465 -1.052 -9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.727 -2.850 -11.035 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.253 -3.305 -10.302 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.187 -1.082 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.652 -0.574 -11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.230 -2.950 -12.546 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.420 -1.322 -13.167 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.870 -2.260 -14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.849 -1.360 -13.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.865 -3.210 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.326 -4.059 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.565 -3.974 -14.191 1.00 0.00 H new ATOM 959 N PHE A 68 -7.275 -0.236 -7.852 1.00 0.00 N ATOM 960 CA PHE A 68 -8.320 0.288 -6.980 1.00 0.00 C ATOM 961 C PHE A 68 -8.958 1.536 -7.588 1.00 0.00 C ATOM 962 O PHE A 68 -8.305 2.304 -8.303 1.00 0.00 O ATOM 963 CB PHE A 68 -7.766 0.621 -5.589 1.00 0.00 C ATOM 964 CG PHE A 68 -7.407 -0.574 -4.743 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.394 -1.441 -5.123 1.00 0.00 C ATOM 966 CD2 PHE A 68 -8.087 -0.824 -3.561 1.00 0.00 C ATOM 967 CE1 PHE A 68 -6.070 -2.533 -4.343 1.00 0.00 C ATOM 968 CE2 PHE A 68 -7.765 -1.916 -2.776 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.756 -2.772 -3.170 1.00 0.00 C ATOM 0 H PHE A 68 -6.555 0.443 -8.097 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.079 -0.488 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.879 1.243 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.505 1.218 -5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.852 -1.260 -6.040 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.878 -0.158 -3.249 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.279 -3.201 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.302 -2.099 -1.857 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.504 -3.628 -2.561 1.00 0.00 H new ATOM 978 N LYS A 69 -10.249 1.698 -7.344 1.00 0.00 N ATOM 979 CA LYS A 69 -11.011 2.806 -7.891 1.00 0.00 C ATOM 980 C LYS A 69 -11.407 3.781 -6.789 1.00 0.00 C ATOM 981 O LYS A 69 -12.072 3.398 -5.830 1.00 0.00 O ATOM 982 CB LYS A 69 -12.254 2.257 -8.601 1.00 0.00 C ATOM 983 CG LYS A 69 -13.210 3.319 -9.115 1.00 0.00 C ATOM 984 CD LYS A 69 -14.228 2.726 -10.078 1.00 0.00 C ATOM 985 CE LYS A 69 -13.547 2.098 -11.290 1.00 0.00 C ATOM 986 NZ LYS A 69 -14.529 1.603 -12.290 1.00 0.00 N ATOM 0 H LYS A 69 -10.796 1.065 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.396 3.349 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.934 1.639 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.792 1.606 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.728 3.783 -8.275 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.647 4.106 -9.617 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.823 1.973 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.916 3.505 -10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.892 2.833 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.916 1.272 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.023 1.184 -13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.138 0.883 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.115 2.395 -12.623 1.00 0.00 H new ATOM 996 N ARG A 70 -11.058 5.051 -6.971 1.00 0.00 N ATOM 997 CA ARG A 70 -11.438 6.098 -6.028 1.00 0.00 C ATOM 998 C ARG A 70 -12.171 7.198 -6.768 1.00 0.00 C ATOM 999 O ARG A 70 -11.559 7.967 -7.506 1.00 0.00 O ATOM 1000 CB ARG A 70 -10.210 6.690 -5.344 1.00 0.00 C ATOM 1001 CG ARG A 70 -10.547 7.817 -4.368 1.00 0.00 C ATOM 1002 CD ARG A 70 -11.894 7.571 -3.705 1.00 0.00 C ATOM 1003 NE ARG A 70 -12.299 8.641 -2.802 1.00 0.00 N ATOM 1004 CZ ARG A 70 -13.566 8.846 -2.416 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -14.551 8.126 -2.944 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -13.847 9.782 -1.519 1.00 0.00 N ATOM 0 H ARG A 70 -10.511 5.381 -7.766 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.083 5.658 -5.267 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.685 5.900 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.526 7.069 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.770 7.890 -3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.565 8.770 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.654 7.450 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.852 6.634 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.579 9.268 -2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.344 7.415 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.514 8.285 -2.648 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.098 10.348 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.812 9.936 -1.227 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.477 7.243 -6.592 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.312 8.165 -7.354 1.00 0.00 C ATOM 1019 C VAL A 71 -14.004 9.635 -7.060 1.00 0.00 C ATOM 1020 O VAL A 71 -14.138 10.471 -7.952 1.00 0.00 O ATOM 1021 CB VAL A 71 -15.821 7.888 -7.146 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.290 8.336 -5.772 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -16.641 8.555 -8.240 1.00 0.00 C ATOM 0 H VAL A 71 -13.986 6.656 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.064 7.981 -8.399 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.971 6.810 -7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.354 8.125 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.734 7.798 -5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.119 9.407 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.699 8.350 -8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.472 9.632 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.340 8.162 -9.211 1.00 0.00 H new ATOM 1033 N ASP A 72 -13.639 9.965 -5.818 1.00 0.00 N ATOM 1034 CA ASP A 72 -13.427 11.373 -5.452 1.00 0.00 C ATOM 1035 C ASP A 72 -12.383 12.040 -6.348 1.00 0.00 C ATOM 1036 O ASP A 72 -12.559 13.179 -6.774 1.00 0.00 O ATOM 1037 CB ASP A 72 -12.993 11.504 -3.991 1.00 0.00 C ATOM 1038 CG ASP A 72 -13.122 12.924 -3.458 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -13.603 13.811 -4.194 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -12.751 13.157 -2.290 1.00 0.00 O ATOM 0 H ASP A 72 -13.486 9.296 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.382 11.879 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.596 10.835 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.957 11.178 -3.895 1.00 0.00 H new ATOM 1044 N ASN A 73 -11.293 11.333 -6.624 1.00 0.00 N ATOM 1045 CA ASN A 73 -10.204 11.906 -7.416 1.00 0.00 C ATOM 1046 C ASN A 73 -10.468 11.782 -8.911 1.00 0.00 C ATOM 1047 O ASN A 73 -10.433 12.772 -9.639 1.00 0.00 O ATOM 1048 CB ASN A 73 -8.870 11.244 -7.064 1.00 0.00 C ATOM 1049 CG ASN A 73 -8.460 11.508 -5.629 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -8.041 10.466 -4.928 1.00 0.00 O flip ATOM 1051 ND2 ASN A 73 -8.503 12.644 -5.158 1.00 0.00 N flip ATOM 0 H ASN A 73 -11.138 10.373 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 73 -10.150 12.966 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.946 10.169 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.095 11.614 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.832 13.421 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.209 12.808 -4.195 1.00 0.00 H new ATOM 1057 N GLY A 74 -10.731 10.565 -9.362 1.00 0.00 N ATOM 1058 CA GLY A 74 -10.989 10.334 -10.769 1.00 0.00 C ATOM 1059 C GLY A 74 -11.292 8.880 -11.038 1.00 0.00 C ATOM 1060 O GLY A 74 -10.774 8.296 -11.990 1.00 0.00 O ATOM 0 H GLY A 74 -10.771 9.730 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.829 10.949 -11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.123 10.642 -11.355 1.00 0.00 H new ATOM 1064 N LYS A 75 -12.045 8.287 -10.107 1.00 0.00 N ATOM 1065 CA LYS A 75 -12.404 6.866 -10.111 1.00 0.00 C ATOM 1066 C LYS A 75 -11.205 5.961 -10.376 1.00 0.00 C ATOM 1067 O LYS A 75 -11.355 4.868 -10.917 1.00 0.00 O ATOM 1068 CB LYS A 75 -13.561 6.566 -11.077 1.00 0.00 C ATOM 1069 CG LYS A 75 -13.291 6.908 -12.538 1.00 0.00 C ATOM 1070 CD LYS A 75 -14.549 6.795 -13.387 1.00 0.00 C ATOM 1071 CE LYS A 75 -14.301 7.289 -14.804 1.00 0.00 C ATOM 1072 NZ LYS A 75 -15.501 7.141 -15.672 1.00 0.00 N ATOM 0 H LYS A 75 -12.431 8.794 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.754 6.638 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.806 5.506 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.441 7.119 -10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.896 7.922 -12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.525 6.240 -12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.881 5.757 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.352 7.375 -12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.004 8.337 -14.774 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.470 6.734 -15.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.284 7.491 -16.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.771 6.138 -15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.288 7.691 -15.273 1.00 0.00 H new ATOM 1082 N GLU A 76 -10.045 6.367 -9.857 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.822 5.570 -9.935 1.00 0.00 C ATOM 1084 C GLU A 76 -7.827 6.014 -8.869 1.00 0.00 C ATOM 1085 O GLU A 76 -7.584 7.205 -8.688 1.00 0.00 O ATOM 1086 CB GLU A 76 -8.151 5.688 -11.317 1.00 0.00 C ATOM 1087 CG GLU A 76 -8.957 5.078 -12.447 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.248 5.104 -13.778 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -7.024 5.341 -13.807 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.918 4.864 -14.802 1.00 0.00 O ATOM 0 H GLU A 76 -9.928 7.256 -9.372 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.108 4.531 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.976 6.741 -11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.175 5.204 -11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.198 4.046 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.902 5.613 -12.538 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.241 5.040 -8.196 1.00 0.00 N ATOM 1096 CA LEU A 77 -6.157 5.268 -7.254 1.00 0.00 C ATOM 1097 C LEU A 77 -5.554 3.915 -6.903 1.00 0.00 C ATOM 1098 O LEU A 77 -6.197 3.094 -6.257 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.654 5.996 -5.994 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.579 6.731 -5.175 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -6.228 7.621 -4.128 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -4.622 5.755 -4.503 1.00 0.00 C ATOM 0 H LEU A 77 -7.506 4.059 -8.288 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.401 5.911 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.414 6.719 -6.291 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.142 5.268 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.004 7.347 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.455 8.134 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.864 8.357 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.831 7.011 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.877 6.310 -3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.180 5.103 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.124 5.153 -5.263 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.392 3.627 -7.450 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.797 2.308 -7.292 1.00 0.00 C ATOM 1115 C ILE A 78 -2.453 2.414 -6.582 1.00 0.00 C ATOM 1116 O ILE A 78 -1.874 3.488 -6.509 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.611 1.622 -8.669 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.886 1.755 -9.510 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -3.248 0.153 -8.502 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.772 1.150 -10.892 1.00 0.00 C ATOM 0 H ILE A 78 -3.840 4.281 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.472 1.702 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.792 2.122 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.710 1.277 -8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.138 2.811 -9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.123 -0.305 -9.483 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.317 0.070 -7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.044 -0.359 -7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.713 1.283 -11.426 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.970 1.644 -11.440 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.551 0.086 -10.806 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.936 1.295 -6.111 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.610 1.257 -5.521 1.00 0.00 C ATOM 1133 C ALA A 79 0.130 0.021 -6.017 1.00 0.00 C ATOM 1134 O ALA A 79 -0.327 -1.104 -5.817 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.696 1.264 -4.002 1.00 0.00 C ATOM 0 H ALA A 79 -2.417 0.395 -6.126 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.058 2.147 -5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.309 1.235 -3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.203 2.170 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.256 0.392 -3.665 1.00 0.00 H new ATOM 1141 N VAL A 80 1.199 0.237 -6.768 1.00 0.00 N ATOM 1142 CA VAL A 80 1.941 -0.864 -7.371 1.00 0.00 C ATOM 1143 C VAL A 80 3.436 -0.671 -7.156 1.00 0.00 C ATOM 1144 O VAL A 80 3.974 0.389 -7.477 1.00 0.00 O ATOM 1145 CB VAL A 80 1.661 -0.973 -8.892 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.418 -2.141 -9.500 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.170 -1.106 -9.168 1.00 0.00 C ATOM 0 H VAL A 80 1.573 1.163 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 80 1.610 -1.783 -6.888 1.00 0.00 H new ATOM 0 HB VAL A 80 2.013 -0.053 -9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.205 -2.196 -10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.488 -1.998 -9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.105 -3.068 -9.019 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.004 -1.180 -10.243 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.212 -2.002 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.351 -0.231 -8.780 1.00 0.00 H new ATOM 1157 N ARG A 81 4.113 -1.692 -6.640 1.00 0.00 N ATOM 1158 CA ARG A 81 5.552 -1.606 -6.427 1.00 0.00 C ATOM 1159 C ARG A 81 6.173 -2.976 -6.180 1.00 0.00 C ATOM 1160 O ARG A 81 5.578 -3.833 -5.538 1.00 0.00 O ATOM 1161 CB ARG A 81 5.881 -0.689 -5.250 1.00 0.00 C ATOM 1162 CG ARG A 81 7.348 -0.301 -5.199 1.00 0.00 C ATOM 1163 CD ARG A 81 7.695 0.678 -6.303 1.00 0.00 C ATOM 1164 NE ARG A 81 9.139 0.834 -6.475 1.00 0.00 N ATOM 1165 CZ ARG A 81 9.694 1.511 -7.481 1.00 0.00 C ATOM 1166 NH1 ARG A 81 8.959 1.864 -8.526 1.00 0.00 N ATOM 1167 NH2 ARG A 81 10.997 1.761 -7.480 1.00 0.00 N ATOM 0 H ARG A 81 3.693 -2.580 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 81 5.976 -1.190 -7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.273 0.213 -5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.609 -1.188 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.576 0.144 -4.230 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.966 -1.194 -5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.255 0.336 -7.240 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.252 1.648 -6.078 1.00 0.00 H new ATOM 0 HE ARG A 81 9.756 0.401 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.970 1.618 -8.560 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.383 2.382 -9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.578 1.435 -6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.417 2.279 -8.251 1.00 0.00 H new ATOM 1178 N GLU A 82 7.417 -3.129 -6.597 1.00 0.00 N ATOM 1179 CA GLU A 82 8.177 -4.337 -6.333 1.00 0.00 C ATOM 1180 C GLU A 82 9.194 -4.076 -5.227 1.00 0.00 C ATOM 1181 O GLU A 82 9.470 -2.924 -4.892 1.00 0.00 O ATOM 1182 CB GLU A 82 8.892 -4.826 -7.599 1.00 0.00 C ATOM 1183 CG GLU A 82 9.820 -3.801 -8.241 1.00 0.00 C ATOM 1184 CD GLU A 82 9.079 -2.734 -9.015 1.00 0.00 C ATOM 1185 OE1 GLU A 82 8.371 -3.075 -9.988 1.00 0.00 O ATOM 1186 OE2 GLU A 82 9.197 -1.546 -8.648 1.00 0.00 O ATOM 0 H GLU A 82 7.927 -2.422 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 82 7.484 -5.115 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.471 -5.716 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.142 -5.126 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.421 -3.327 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.511 -4.314 -8.910 1.00 0.00 H new ATOM 1191 N ILE A 83 9.759 -5.138 -4.678 1.00 0.00 N ATOM 1192 CA ILE A 83 10.754 -5.007 -3.621 1.00 0.00 C ATOM 1193 C ILE A 83 12.145 -5.211 -4.218 1.00 0.00 C ATOM 1194 O ILE A 83 12.427 -6.262 -4.797 1.00 0.00 O ATOM 1195 CB ILE A 83 10.548 -6.063 -2.509 1.00 0.00 C ATOM 1196 CG1 ILE A 83 9.068 -6.193 -2.132 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.384 -5.714 -1.284 1.00 0.00 C ATOM 1198 CD1 ILE A 83 8.410 -4.888 -1.751 1.00 0.00 C ATOM 0 H ILE A 83 9.548 -6.100 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 83 10.650 -4.013 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 83 10.879 -7.027 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.527 -6.628 -2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.977 -6.890 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.228 -6.466 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.439 -5.689 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.084 -4.737 -0.905 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.365 -5.068 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.923 -4.460 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 83 8.467 -4.194 -2.589 1.00 0.00 H new ATOM 1209 N SER A 84 13.005 -4.214 -4.092 1.00 0.00 N ATOM 1210 CA SER A 84 14.358 -4.308 -4.625 1.00 0.00 C ATOM 1211 C SER A 84 15.363 -4.384 -3.480 1.00 0.00 C ATOM 1212 O SER A 84 15.266 -3.611 -2.522 1.00 0.00 O ATOM 1213 CB SER A 84 14.654 -3.106 -5.526 1.00 0.00 C ATOM 1214 OG SER A 84 15.923 -3.227 -6.147 1.00 0.00 O ATOM 0 H SER A 84 12.793 -3.331 -3.627 1.00 0.00 H new ATOM 0 HA SER A 84 14.445 -5.215 -5.224 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.880 -3.022 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.621 -2.190 -4.936 1.00 0.00 H new ATOM 0 HG SER A 84 16.084 -2.446 -6.717 1.00 0.00 H new ATOM 1219 N GLY A 85 16.249 -5.383 -3.526 1.00 0.00 N ATOM 1220 CA GLY A 85 17.140 -5.634 -2.404 1.00 0.00 C ATOM 1221 C GLY A 85 16.333 -5.880 -1.152 1.00 0.00 C ATOM 1222 O GLY A 85 15.304 -6.555 -1.217 1.00 0.00 O ATOM 0 H GLY A 85 16.363 -6.018 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.771 -6.497 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.804 -4.782 -2.258 1.00 0.00 H new ATOM 1226 N ASN A 86 16.583 -5.094 -0.122 1.00 0.00 N ATOM 1227 CA ASN A 86 15.621 -5.021 0.952 1.00 0.00 C ATOM 1228 C ASN A 86 15.333 -3.561 1.269 1.00 0.00 C ATOM 1229 O ASN A 86 15.991 -2.942 2.105 1.00 0.00 O ATOM 1230 CB ASN A 86 16.134 -5.755 2.194 1.00 0.00 C ATOM 1231 CG ASN A 86 15.057 -5.931 3.249 1.00 0.00 C ATOM 1232 OD1 ASN A 86 14.550 -4.962 3.808 1.00 0.00 O ATOM 1233 ND2 ASN A 86 14.710 -7.171 3.530 1.00 0.00 N ATOM 0 H ASN A 86 17.416 -4.516 -0.009 1.00 0.00 H new ATOM 0 HA ASN A 86 14.698 -5.509 0.639 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.516 -6.733 1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.970 -5.201 2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.996 -7.353 4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.156 -7.948 3.043 1.00 0.00 H new ATOM 1239 N GLU A 87 14.268 -3.072 0.658 1.00 0.00 N ATOM 1240 CA GLU A 87 13.735 -1.744 0.904 1.00 0.00 C ATOM 1241 C GLU A 87 12.401 -1.639 0.184 1.00 0.00 C ATOM 1242 O GLU A 87 12.169 -2.358 -0.790 1.00 0.00 O ATOM 1243 CB GLU A 87 14.695 -0.632 0.449 1.00 0.00 C ATOM 1244 CG GLU A 87 14.935 -0.571 -1.050 1.00 0.00 C ATOM 1245 CD GLU A 87 15.791 0.618 -1.446 1.00 0.00 C ATOM 1246 OE1 GLU A 87 16.222 1.372 -0.547 1.00 0.00 O ATOM 1247 OE2 GLU A 87 16.041 0.802 -2.655 1.00 0.00 O ATOM 0 H GLU A 87 13.739 -3.598 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 87 13.605 -1.604 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.298 0.328 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.653 -0.770 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.421 -1.491 -1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.977 -0.515 -1.568 1.00 0.00 H new ATOM 1252 N LEU A 88 11.514 -0.797 0.669 1.00 0.00 N ATOM 1253 CA LEU A 88 10.216 -0.662 0.042 1.00 0.00 C ATOM 1254 C LEU A 88 10.002 0.743 -0.491 1.00 0.00 C ATOM 1255 O LEU A 88 9.961 1.709 0.265 1.00 0.00 O ATOM 1256 CB LEU A 88 9.091 -1.015 1.012 1.00 0.00 C ATOM 1257 CG LEU A 88 7.686 -0.866 0.426 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.393 -1.965 -0.578 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.643 -0.852 1.529 1.00 0.00 C ATOM 0 H LEU A 88 11.664 -0.203 1.484 1.00 0.00 H new ATOM 0 HA LEU A 88 10.194 -1.362 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.225 -2.043 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.174 -0.379 1.893 1.00 0.00 H new ATOM 0 HG LEU A 88 7.641 0.088 -0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.388 -1.834 -0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.117 -1.917 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.464 -2.935 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.651 -0.745 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.693 -1.786 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.835 -0.015 2.200 1.00 0.00 H new ATOM 1270 N ILE A 89 9.662 0.816 -1.758 1.00 0.00 N ATOM 1271 CA ILE A 89 9.235 2.060 -2.360 1.00 0.00 C ATOM 1272 C ILE A 89 7.725 1.990 -2.522 1.00 0.00 C ATOM 1273 O ILE A 89 7.166 0.899 -2.578 1.00 0.00 O ATOM 1274 CB ILE A 89 9.912 2.303 -3.734 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.443 2.257 -3.617 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.480 3.640 -4.322 1.00 0.00 C ATOM 1277 CD1 ILE A 89 12.029 0.858 -3.617 1.00 0.00 C ATOM 0 H ILE A 89 9.673 0.021 -2.397 1.00 0.00 H new ATOM 0 HA ILE A 89 9.526 2.893 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 89 9.592 1.503 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.876 2.819 -4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.741 2.763 -2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.968 3.788 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.399 3.645 -4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.764 4.445 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.114 0.918 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.629 0.296 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.766 0.353 -4.547 1.00 0.00 H new ATOM 1288 N GLN A 90 7.051 3.112 -2.418 1.00 0.00 N ATOM 1289 CA GLN A 90 5.601 3.102 -2.437 1.00 0.00 C ATOM 1290 C GLN A 90 5.070 4.009 -3.534 1.00 0.00 C ATOM 1291 O GLN A 90 5.290 5.221 -3.504 1.00 0.00 O ATOM 1292 CB GLN A 90 5.077 3.554 -1.084 1.00 0.00 C ATOM 1293 CG GLN A 90 3.569 3.487 -0.945 1.00 0.00 C ATOM 1294 CD GLN A 90 3.097 4.052 0.377 1.00 0.00 C ATOM 1295 OE1 GLN A 90 3.288 5.235 0.661 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.493 3.214 1.203 1.00 0.00 N ATOM 0 H GLN A 90 7.474 4.035 -2.320 1.00 0.00 H new ATOM 0 HA GLN A 90 5.257 2.088 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.529 2.937 -0.308 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.401 4.579 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.105 4.039 -1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.242 2.451 -1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.354 2.241 0.931 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.167 3.541 2.112 1.00 0.00 H new ATOM 1303 N THR A 91 4.409 3.414 -4.514 1.00 0.00 N ATOM 1304 CA THR A 91 3.884 4.162 -5.637 1.00 0.00 C ATOM 1305 C THR A 91 2.362 4.224 -5.608 1.00 0.00 C ATOM 1306 O THR A 91 1.691 3.192 -5.609 1.00 0.00 O ATOM 1307 CB THR A 91 4.320 3.543 -6.977 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.295 2.520 -6.744 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.907 4.593 -7.901 1.00 0.00 C ATOM 0 H THR A 91 4.225 2.411 -4.551 1.00 0.00 H new ATOM 0 HA THR A 91 4.289 5.170 -5.550 1.00 0.00 H new ATOM 0 HB THR A 91 3.438 3.116 -7.454 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.087 1.738 -7.297 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.206 4.126 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.160 5.361 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.778 5.048 -7.429 1.00 0.00 H new ATOM 1317 N TYR A 92 1.843 5.421 -5.808 1.00 0.00 N ATOM 1318 CA TYR A 92 0.431 5.621 -6.031 1.00 0.00 C ATOM 1319 C TYR A 92 0.237 5.816 -7.520 1.00 0.00 C ATOM 1320 O TYR A 92 0.905 6.626 -8.140 1.00 0.00 O ATOM 1321 CB TYR A 92 -0.094 6.847 -5.274 1.00 0.00 C ATOM 1322 CG TYR A 92 -0.122 6.706 -3.766 1.00 0.00 C ATOM 1323 CD1 TYR A 92 1.024 6.397 -3.042 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.303 6.903 -3.066 1.00 0.00 C ATOM 1325 CE1 TYR A 92 0.990 6.288 -1.665 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.347 6.792 -1.691 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.198 6.487 -0.995 1.00 0.00 C ATOM 1328 OH TYR A 92 -0.236 6.390 0.378 1.00 0.00 O ATOM 0 H TYR A 92 2.393 6.280 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.124 4.758 -5.664 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.525 7.707 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.104 7.065 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 92 1.956 6.240 -3.564 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.205 7.148 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.889 6.048 -1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.277 6.943 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.148 6.559 0.693 1.00 0.00 H new ATOM 1337 N THR A 93 -0.505 4.933 -8.113 1.00 0.00 N ATOM 1338 CA THR A 93 -0.582 4.859 -9.546 1.00 0.00 C ATOM 1339 C THR A 93 -1.855 5.521 -10.059 1.00 0.00 C ATOM 1340 O THR A 93 -2.934 5.346 -9.483 1.00 0.00 O ATOM 1341 CB THR A 93 -0.507 3.384 -9.969 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.837 3.058 -10.375 1.00 0.00 O ATOM 1343 CG2 THR A 93 -1.504 3.055 -11.069 1.00 0.00 C ATOM 0 H THR A 93 -1.074 4.243 -7.623 1.00 0.00 H new ATOM 0 HA THR A 93 0.255 5.401 -9.986 1.00 0.00 H new ATOM 0 HB THR A 93 -0.776 2.773 -9.107 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.879 2.116 -10.642 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.416 2.002 -11.337 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.515 3.256 -10.716 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.296 3.671 -11.944 1.00 0.00 H new ATOM 1351 N TYR A 94 -1.682 6.411 -11.037 1.00 0.00 N ATOM 1352 CA TYR A 94 -2.780 7.227 -11.518 1.00 0.00 C ATOM 1353 C TYR A 94 -2.434 7.894 -12.836 1.00 0.00 C ATOM 1354 O TYR A 94 -1.260 8.152 -13.107 1.00 0.00 O ATOM 1355 CB TYR A 94 -3.102 8.290 -10.475 1.00 0.00 C ATOM 1356 CG TYR A 94 -4.378 9.061 -10.722 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -5.626 8.481 -10.515 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -4.332 10.383 -11.144 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -6.787 9.203 -10.732 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -5.486 11.107 -11.361 1.00 0.00 C ATOM 1361 CZ TYR A 94 -6.711 10.514 -11.153 1.00 0.00 C ATOM 1362 OH TYR A 94 -7.865 11.236 -11.363 1.00 0.00 O ATOM 0 H TYR A 94 -0.792 6.580 -11.506 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.645 6.585 -11.683 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -3.168 7.811 -9.498 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.272 8.995 -10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.689 7.456 -10.181 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.374 10.854 -11.306 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.750 8.741 -10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.429 12.133 -11.692 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.635 12.142 -11.656 1.00 0.00 H new ATOM 1371 N GLU A 95 -3.464 8.120 -13.666 1.00 0.00 N ATOM 1372 CA GLU A 95 -3.294 8.698 -15.001 1.00 0.00 C ATOM 1373 C GLU A 95 -2.188 7.944 -15.713 1.00 0.00 C ATOM 1374 O GLU A 95 -1.143 8.505 -16.060 1.00 0.00 O ATOM 1375 CB GLU A 95 -2.980 10.197 -14.923 1.00 0.00 C ATOM 1376 CG GLU A 95 -3.080 10.918 -16.264 1.00 0.00 C ATOM 1377 CD GLU A 95 -4.482 10.897 -16.846 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -5.000 9.799 -17.148 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -5.079 11.981 -17.002 1.00 0.00 O ATOM 0 H GLU A 95 -4.433 7.907 -13.429 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.224 8.601 -15.561 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.665 10.666 -14.217 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.974 10.328 -14.525 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.760 11.952 -16.139 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.392 10.455 -16.971 1.00 0.00 H new ATOM 1384 N GLY A 96 -2.307 6.634 -15.644 1.00 0.00 N ATOM 1385 CA GLY A 96 -1.214 5.784 -16.003 1.00 0.00 C ATOM 1386 C GLY A 96 -0.792 4.933 -14.827 1.00 0.00 C ATOM 1387 O GLY A 96 -1.589 4.137 -14.331 1.00 0.00 O ATOM 0 H GLY A 96 -3.150 6.146 -15.343 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.503 5.144 -16.837 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.373 6.388 -16.342 1.00 0.00 H new ATOM 1391 N VAL A 97 0.375 5.250 -14.268 1.00 0.00 N ATOM 1392 CA VAL A 97 0.891 4.582 -13.068 1.00 0.00 C ATOM 1393 C VAL A 97 2.148 5.291 -12.515 1.00 0.00 C ATOM 1394 O VAL A 97 3.230 4.725 -12.664 1.00 0.00 O ATOM 1395 CB VAL A 97 1.357 3.117 -13.417 1.00 0.00 C ATOM 1396 CG1 VAL A 97 0.219 2.112 -13.482 1.00 0.00 C ATOM 1397 CG2 VAL A 97 2.116 3.091 -14.742 1.00 0.00 C ATOM 0 H VAL A 97 0.991 5.977 -14.632 1.00 0.00 H new ATOM 0 HA VAL A 97 0.081 4.598 -12.339 1.00 0.00 H new ATOM 0 HB VAL A 97 2.009 2.818 -12.596 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.617 1.127 -13.727 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.285 2.070 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.492 2.417 -14.250 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.428 2.070 -14.963 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.468 3.453 -15.540 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.995 3.731 -14.670 1.00 0.00 H new ATOM 1407 N GLU A 98 2.022 6.291 -11.615 1.00 0.00 N ATOM 1408 CA GLU A 98 3.199 6.697 -10.815 1.00 0.00 C ATOM 1409 C GLU A 98 2.967 7.833 -9.806 1.00 0.00 C ATOM 1410 O GLU A 98 2.650 8.964 -10.181 1.00 0.00 O ATOM 1411 CB GLU A 98 4.414 7.001 -11.681 1.00 0.00 C ATOM 1412 CG GLU A 98 4.268 8.191 -12.616 1.00 0.00 C ATOM 1413 CD GLU A 98 5.610 8.743 -13.056 1.00 0.00 C ATOM 1414 OE1 GLU A 98 6.390 8.000 -13.689 1.00 0.00 O ATOM 1415 OE2 GLU A 98 5.901 9.918 -12.750 1.00 0.00 O ATOM 0 H GLU A 98 1.164 6.810 -11.429 1.00 0.00 H new ATOM 0 HA GLU A 98 3.397 5.811 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.269 7.176 -11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.644 6.118 -12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.695 7.893 -13.494 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.701 8.976 -12.116 1.00 0.00 H new ATOM 1420 N ALA A 99 3.417 7.573 -8.586 1.00 0.00 N ATOM 1421 CA ALA A 99 3.615 8.599 -7.554 1.00 0.00 C ATOM 1422 C ALA A 99 4.372 7.947 -6.406 1.00 0.00 C ATOM 1423 O ALA A 99 3.842 7.044 -5.781 1.00 0.00 O ATOM 1424 CB ALA A 99 2.291 9.180 -7.072 1.00 0.00 C ATOM 0 H ALA A 99 3.660 6.633 -8.274 1.00 0.00 H new ATOM 0 HA ALA A 99 4.182 9.434 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.481 9.935 -6.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.767 9.636 -7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.677 8.385 -6.650 1.00 0.00 H new ATOM 1430 N LYS A 100 5.665 8.197 -6.288 1.00 0.00 N ATOM 1431 CA LYS A 100 6.468 7.331 -5.427 1.00 0.00 C ATOM 1432 C LYS A 100 7.278 8.061 -4.368 1.00 0.00 C ATOM 1433 O LYS A 100 7.979 9.040 -4.643 1.00 0.00 O ATOM 1434 CB LYS A 100 7.384 6.455 -6.284 1.00 0.00 C ATOM 1435 CG LYS A 100 8.049 7.206 -7.421 1.00 0.00 C ATOM 1436 CD LYS A 100 8.304 6.295 -8.607 1.00 0.00 C ATOM 1437 CE LYS A 100 8.673 7.090 -9.846 1.00 0.00 C ATOM 1438 NZ LYS A 100 8.693 6.239 -11.064 1.00 0.00 N ATOM 0 H LYS A 100 6.167 8.954 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 100 5.756 6.719 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.154 6.018 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.803 5.629 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.417 8.039 -7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.992 7.631 -7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.107 5.599 -8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.414 5.698 -8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.959 7.902 -9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.653 7.547 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.949 6.819 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.392 5.479 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.751 5.823 -11.212 1.00 0.00 H new ATOM 1448 N ARG A 101 7.281 7.453 -3.191 1.00 0.00 N ATOM 1449 CA ARG A 101 8.118 7.865 -2.077 1.00 0.00 C ATOM 1450 C ARG A 101 8.935 6.651 -1.636 1.00 0.00 C ATOM 1451 O ARG A 101 8.473 5.516 -1.784 1.00 0.00 O ATOM 1452 CB ARG A 101 7.245 8.383 -0.925 1.00 0.00 C ATOM 1453 CG ARG A 101 8.030 8.914 0.264 1.00 0.00 C ATOM 1454 CD ARG A 101 8.858 10.130 -0.110 1.00 0.00 C ATOM 1455 NE ARG A 101 9.514 10.725 1.054 1.00 0.00 N ATOM 1456 CZ ARG A 101 10.367 11.746 0.985 1.00 0.00 C ATOM 1457 NH1 ARG A 101 10.689 12.268 -0.193 1.00 0.00 N ATOM 1458 NH2 ARG A 101 10.900 12.246 2.097 1.00 0.00 N ATOM 0 H ARG A 101 6.692 6.647 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 101 8.785 8.674 -2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.599 9.176 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.595 7.576 -0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.342 9.175 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.685 8.131 0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.611 9.844 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 101 8.217 10.873 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 101 9.306 10.335 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.283 11.887 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.342 13.050 -0.243 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.656 11.848 3.004 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.553 13.028 2.043 1.00 0.00 H new ATOM 1469 N ILE A 102 10.177 6.861 -1.219 1.00 0.00 N ATOM 1470 CA ILE A 102 11.063 5.738 -0.931 1.00 0.00 C ATOM 1471 C ILE A 102 11.174 5.488 0.568 1.00 0.00 C ATOM 1472 O ILE A 102 11.526 6.379 1.340 1.00 0.00 O ATOM 1473 CB ILE A 102 12.475 5.974 -1.513 1.00 0.00 C ATOM 1474 CG1 ILE A 102 12.389 6.311 -3.006 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.355 4.747 -1.298 1.00 0.00 C ATOM 1476 CD1 ILE A 102 13.723 6.664 -3.630 1.00 0.00 C ATOM 0 H ILE A 102 10.590 7.782 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 102 10.624 4.860 -1.405 1.00 0.00 H new ATOM 0 HB ILE A 102 12.925 6.818 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 102 11.964 5.460 -3.537 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.702 7.147 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.345 4.932 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 102 13.442 4.544 -0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 102 12.907 3.887 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.582 6.890 -4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.142 7.535 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 102 14.407 5.822 -3.527 1.00 0.00 H new ATOM 1487 N PHE A 103 10.907 4.254 0.966 1.00 0.00 N ATOM 1488 CA PHE A 103 11.005 3.847 2.356 1.00 0.00 C ATOM 1489 C PHE A 103 12.009 2.710 2.482 1.00 0.00 C ATOM 1490 O PHE A 103 12.480 2.179 1.478 1.00 0.00 O ATOM 1491 CB PHE A 103 9.637 3.428 2.898 1.00 0.00 C ATOM 1492 CG PHE A 103 8.574 4.468 2.694 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.619 5.666 3.389 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.536 4.254 1.803 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.648 6.630 3.198 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.562 5.213 1.610 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.619 6.403 2.309 1.00 0.00 C ATOM 0 H PHE A 103 10.617 3.508 0.334 1.00 0.00 H new ATOM 0 HA PHE A 103 11.350 4.693 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.329 2.503 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.726 3.213 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.422 5.848 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.488 3.326 1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.695 7.560 3.744 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.757 5.033 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.858 7.155 2.159 1.00 0.00 H new ATOM 1506 N LYS A 104 12.420 2.407 3.698 1.00 0.00 N ATOM 1507 CA LYS A 104 13.451 1.401 3.908 1.00 0.00 C ATOM 1508 C LYS A 104 13.164 0.603 5.168 1.00 0.00 C ATOM 1509 O LYS A 104 12.440 1.067 6.044 1.00 0.00 O ATOM 1510 CB LYS A 104 14.841 2.050 4.000 1.00 0.00 C ATOM 1511 CG LYS A 104 15.101 2.817 5.296 1.00 0.00 C ATOM 1512 CD LYS A 104 14.351 4.143 5.364 1.00 0.00 C ATOM 1513 CE LYS A 104 14.928 5.176 4.407 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.250 5.167 3.085 1.00 0.00 N ATOM 0 H LYS A 104 12.062 2.837 4.551 1.00 0.00 H new ATOM 0 HA LYS A 104 13.443 0.726 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.598 1.273 3.895 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.966 2.732 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 104 14.809 2.197 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.170 3.005 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.300 3.977 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.391 4.530 6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.839 6.168 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.992 4.983 4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.157 6.142 2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.812 4.609 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.305 4.743 3.182 1.00 0.00 H new ATOM 1524 N LYS A 105 13.672 -0.620 5.217 1.00 0.00 N ATOM 1525 CA LYS A 105 13.414 -1.502 6.345 1.00 0.00 C ATOM 1526 C LYS A 105 13.962 -0.892 7.636 1.00 0.00 C ATOM 1527 O LYS A 105 15.154 -0.582 7.738 1.00 0.00 O ATOM 1528 CB LYS A 105 14.047 -2.877 6.100 1.00 0.00 C ATOM 1529 CG LYS A 105 13.302 -4.035 6.758 1.00 0.00 C ATOM 1530 CD LYS A 105 13.316 -3.947 8.276 1.00 0.00 C ATOM 1531 CE LYS A 105 12.424 -5.000 8.906 1.00 0.00 C ATOM 1532 NZ LYS A 105 12.926 -6.374 8.663 1.00 0.00 N ATOM 0 H LYS A 105 14.264 -1.023 4.491 1.00 0.00 H new ATOM 0 HA LYS A 105 12.336 -1.625 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 105 14.097 -3.055 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 105 15.073 -2.863 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.270 -4.045 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 105 13.754 -4.977 6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 105 14.337 -4.070 8.638 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.985 -2.956 8.586 1.00 0.00 H new ATOM 0 HE2 LYS A 105 12.358 -4.823 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.415 -4.907 8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.315 -7.058 9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 12.917 -6.571 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.898 -6.457 9.023 1.00 0.00 H new ATOM 1542 N GLU A 106 13.101 -0.786 8.630 1.00 0.00 N ATOM 1543 CA GLU A 106 13.486 -0.307 9.940 1.00 0.00 C ATOM 1544 C GLU A 106 13.515 -1.475 10.915 1.00 0.00 C ATOM 1545 O GLU A 106 12.433 -2.011 11.232 1.00 0.00 O ATOM 1546 CB GLU A 106 12.504 0.767 10.418 1.00 0.00 C ATOM 1547 CG GLU A 106 12.834 1.340 11.788 1.00 0.00 C ATOM 1548 CD GLU A 106 14.230 1.926 11.861 1.00 0.00 C ATOM 1549 OE1 GLU A 106 14.521 2.874 11.100 1.00 0.00 O ATOM 1550 OE2 GLU A 106 15.040 1.446 12.682 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.618 -1.873 11.336 1.00 0.00 O ATOM 0 H GLU A 106 12.114 -1.030 8.550 1.00 0.00 H new ATOM 0 HA GLU A 106 14.480 0.138 9.887 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.486 1.579 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.501 0.342 10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.107 2.113 12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.735 0.555 12.538 1.00 0.00 H new TER 1556 GLU A 106