USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 859 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 69 SER OG : rot 159:sc= 1.25 USER MOD Set 1.2: A 76 GLN : amide:sc= 0.631 K(o=1.9,f=-2.5) USER MOD Set 2.1: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 TYR OH : rot 117:sc= 0.795 USER MOD Set 3.1: A 36 SER OG : rot -47:sc= 0.852 USER MOD Set 3.2: A 87 CYS SG : rot 60:sc= 0.369 USER MOD Set 4.1: A 33 CYS SG : rot -50:sc= 0.311 USER MOD Set 4.2: A 37 GLN : amide:sc= 1.17 K(o=2.3,f=-0.021) USER MOD Set 4.3: A 41 GLN : amide:sc= 0.767 K(o=2.3,f=-2.1!) USER MOD Set 5.1: A 25 LYS NZ :NH3+ 172:sc= 0.984 (180deg=0) USER MOD Set 5.2: A 32 GLN : amide:sc= 0.779 K(o=1.8,f=-2.6) USER MOD Set 6.1: A 24 MET CE :methyl -178:sc= -0.639 (180deg=-0.726) USER MOD Set 6.2: A 52 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 19 LYS NZ :NH3+ -173:sc= 0.723 (180deg=0) USER MOD Set 7.2: A 109 SER OG : rot -16:sc= 1.87 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 155:sc= 1.04 USER MOD Single : A 10 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -76:sc= 1.21 USER MOD Single : A 17 SER OG : rot 92:sc= 1.19 USER MOD Single : A 18 HIS : no HD1:sc= -0.0231 X(o=-0.023,f=-0.023) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= 1.22 (180deg=1.02) USER MOD Single : A 38 THR OG1 : rot 79:sc= 0.213 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 94:sc= 1.28 USER MOD Single : A 47 ASN : amide:sc= -0.0074 K(o=-0.0074,f=-0.86) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 58 ASN : amide:sc= 0.293 K(o=0.29,f=-6.6!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -33:sc= 1.32 USER MOD Single : A 73 THR OG1 : rot 49:sc= 0.232 USER MOD Single : A 90 THR OG1 : rot 72:sc= 0.918 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.23) USER MOD Single : A 96 SER OG : rot 76:sc= 1.29 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.35) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -176:sc= -0.0228 (180deg=-0.105) USER MOD Single : A 108 CYS SG : rot 77:sc= 0.485 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.500 0.142 -3.114 1.00 0.00 N ATOM 2 CA MET A 1 -7.966 1.318 -3.862 1.00 0.00 C ATOM 3 C MET A 1 -6.567 1.699 -3.354 1.00 0.00 C ATOM 4 O MET A 1 -6.367 1.821 -2.145 1.00 0.00 O ATOM 5 CB MET A 1 -8.941 2.516 -3.784 1.00 0.00 C ATOM 6 CG MET A 1 -8.508 3.742 -4.606 1.00 0.00 C ATOM 7 SD MET A 1 -8.291 3.447 -6.387 1.00 0.00 S ATOM 8 CE MET A 1 -7.882 5.134 -6.911 1.00 0.00 C ATOM 0 H1 MET A 1 -9.446 -0.098 -3.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.864 -0.670 -3.244 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.563 0.374 -2.102 1.00 0.00 H new ATOM 0 HA MET A 1 -7.874 1.039 -4.912 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.924 2.192 -4.127 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.050 2.813 -2.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.251 4.529 -4.473 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.569 4.118 -4.200 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.713 5.150 -7.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.707 5.802 -6.663 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.980 5.466 -6.397 1.00 0.00 H new ATOM 20 N ALA A 2 -5.600 1.889 -4.262 1.00 0.00 N ATOM 21 CA ALA A 2 -4.224 2.301 -3.945 1.00 0.00 C ATOM 22 C ALA A 2 -4.004 3.820 -4.099 1.00 0.00 C ATOM 23 O ALA A 2 -4.789 4.517 -4.748 1.00 0.00 O ATOM 24 CB ALA A 2 -3.268 1.511 -4.854 1.00 0.00 C ATOM 0 H ALA A 2 -5.756 1.758 -5.261 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.026 2.080 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.239 1.799 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.392 0.443 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.494 1.730 -5.898 1.00 0.00 H new ATOM 30 N LEU A 3 -2.891 4.323 -3.550 1.00 0.00 N ATOM 31 CA LEU A 3 -2.466 5.728 -3.674 1.00 0.00 C ATOM 32 C LEU A 3 -1.837 6.066 -5.035 1.00 0.00 C ATOM 33 O LEU A 3 -1.881 7.222 -5.454 1.00 0.00 O ATOM 34 CB LEU A 3 -1.540 6.069 -2.481 1.00 0.00 C ATOM 35 CG LEU A 3 -0.158 5.375 -2.437 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.933 6.193 -3.151 1.00 0.00 C ATOM 37 CD2 LEU A 3 0.264 5.172 -0.976 1.00 0.00 C ATOM 0 H LEU A 3 -2.247 3.757 -2.997 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.352 6.361 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.377 7.147 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.070 5.824 -1.561 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.260 4.421 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.883 5.662 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.659 6.330 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.031 7.167 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.238 4.683 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.327 6.139 -0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.472 4.549 -0.468 1.00 0.00 H new ATOM 49 N THR A 4 -1.263 5.076 -5.728 1.00 0.00 N ATOM 50 CA THR A 4 -0.427 5.241 -6.934 1.00 0.00 C ATOM 51 C THR A 4 -1.072 5.989 -8.115 1.00 0.00 C ATOM 52 O THR A 4 -0.348 6.798 -8.699 1.00 0.00 O ATOM 53 CB THR A 4 0.160 3.892 -7.375 1.00 0.00 C ATOM 54 OG1 THR A 4 -0.853 2.915 -7.423 1.00 0.00 O ATOM 55 CG2 THR A 4 1.217 3.403 -6.382 1.00 0.00 C ATOM 0 H THR A 4 -1.369 4.098 -5.458 1.00 0.00 H new ATOM 0 HA THR A 4 0.373 5.910 -6.619 1.00 0.00 H new ATOM 0 HB THR A 4 0.608 4.039 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.469 2.059 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.617 2.446 -6.718 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.025 4.132 -6.322 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.764 3.282 -5.398 1.00 0.00 H new ATOM 63 N PRO A 5 -2.368 5.821 -8.475 1.00 0.00 N ATOM 64 CA PRO A 5 -2.976 6.580 -9.573 1.00 0.00 C ATOM 65 C PRO A 5 -3.352 8.024 -9.194 1.00 0.00 C ATOM 66 O PRO A 5 -3.657 8.806 -10.095 1.00 0.00 O ATOM 67 CB PRO A 5 -4.216 5.776 -9.981 1.00 0.00 C ATOM 68 CG PRO A 5 -4.655 5.147 -8.664 1.00 0.00 C ATOM 69 CD PRO A 5 -3.322 4.822 -7.995 1.00 0.00 C ATOM 0 HA PRO A 5 -2.262 6.696 -10.388 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.992 6.415 -10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.981 5.022 -10.732 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -5.253 5.834 -8.065 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.259 4.253 -8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -3.412 4.860 -6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.993 3.815 -8.252 1.00 0.00 H new ATOM 77 N ALA A 6 -3.342 8.389 -7.903 1.00 0.00 N ATOM 78 CA ALA A 6 -3.777 9.704 -7.412 1.00 0.00 C ATOM 79 C ALA A 6 -2.615 10.553 -6.872 1.00 0.00 C ATOM 80 O ALA A 6 -2.374 11.658 -7.363 1.00 0.00 O ATOM 81 CB ALA A 6 -4.856 9.462 -6.341 1.00 0.00 C ATOM 0 H ALA A 6 -3.026 7.767 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.185 10.284 -8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.204 10.419 -5.952 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.694 8.924 -6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.435 8.871 -5.527 1.00 0.00 H new ATOM 87 N LEU A 7 -1.887 10.046 -5.871 1.00 0.00 N ATOM 88 CA LEU A 7 -0.840 10.773 -5.146 1.00 0.00 C ATOM 89 C LEU A 7 0.334 11.101 -6.066 1.00 0.00 C ATOM 90 O LEU A 7 0.652 12.270 -6.269 1.00 0.00 O ATOM 91 CB LEU A 7 -0.442 9.920 -3.917 1.00 0.00 C ATOM 92 CG LEU A 7 0.573 10.516 -2.915 1.00 0.00 C ATOM 93 CD1 LEU A 7 2.034 10.324 -3.351 1.00 0.00 C ATOM 94 CD2 LEU A 7 0.301 11.992 -2.602 1.00 0.00 C ATOM 0 H LEU A 7 -2.014 9.092 -5.534 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.202 11.739 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.353 9.682 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.035 8.977 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 7 0.426 9.946 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.697 10.764 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.249 9.259 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.194 10.812 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.045 12.357 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.359 12.575 -3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.694 12.095 -2.169 1.00 0.00 H new ATOM 106 N LYS A 8 0.941 10.080 -6.681 1.00 0.00 N ATOM 107 CA LYS A 8 2.118 10.252 -7.547 1.00 0.00 C ATOM 108 C LYS A 8 1.803 11.176 -8.737 1.00 0.00 C ATOM 109 O LYS A 8 2.586 12.075 -9.041 1.00 0.00 O ATOM 110 CB LYS A 8 2.622 8.874 -8.016 1.00 0.00 C ATOM 111 CG LYS A 8 2.990 7.933 -6.851 1.00 0.00 C ATOM 112 CD LYS A 8 3.587 6.597 -7.326 1.00 0.00 C ATOM 113 CE LYS A 8 4.948 6.767 -8.025 1.00 0.00 C ATOM 114 NZ LYS A 8 5.530 5.454 -8.425 1.00 0.00 N ATOM 0 H LYS A 8 0.633 9.112 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 8 2.911 10.733 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.853 8.402 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.495 9.011 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.706 8.433 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.099 7.736 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.704 5.932 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.889 6.116 -8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.828 7.396 -8.907 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.638 7.283 -7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.446 5.608 -8.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.668 4.863 -7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.883 4.973 -9.082 1.00 0.00 H new ATOM 128 N THR A 9 0.613 11.018 -9.334 1.00 0.00 N ATOM 129 CA THR A 9 0.041 11.840 -10.411 1.00 0.00 C ATOM 130 C THR A 9 -0.146 13.303 -10.007 1.00 0.00 C ATOM 131 O THR A 9 0.168 14.190 -10.796 1.00 0.00 O ATOM 132 CB THR A 9 -1.295 11.227 -10.838 1.00 0.00 C ATOM 133 OG1 THR A 9 -1.198 9.821 -10.867 1.00 0.00 O ATOM 134 CG2 THR A 9 -1.705 11.680 -12.230 1.00 0.00 C ATOM 0 H THR A 9 -0.017 10.264 -9.060 1.00 0.00 H new ATOM 0 HA THR A 9 0.744 11.843 -11.244 1.00 0.00 H new ATOM 0 HB THR A 9 -2.038 11.557 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.087 9.429 -10.737 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.658 11.223 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.807 12.765 -12.244 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.944 11.377 -12.950 1.00 0.00 H new ATOM 142 N THR A 10 -0.619 13.570 -8.782 1.00 0.00 N ATOM 143 CA THR A 10 -0.795 14.934 -8.249 1.00 0.00 C ATOM 144 C THR A 10 0.559 15.607 -8.060 1.00 0.00 C ATOM 145 O THR A 10 0.767 16.720 -8.546 1.00 0.00 O ATOM 146 CB THR A 10 -1.593 14.905 -6.936 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.858 14.338 -7.192 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.827 16.307 -6.367 1.00 0.00 C ATOM 0 H THR A 10 -0.894 12.840 -8.124 1.00 0.00 H new ATOM 0 HA THR A 10 -1.366 15.520 -8.969 1.00 0.00 H new ATOM 0 HB THR A 10 -1.016 14.327 -6.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.791 13.361 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.395 16.233 -5.440 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.867 16.784 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.386 16.904 -7.088 1.00 0.00 H new ATOM 156 N LEU A 11 1.498 14.933 -7.394 1.00 0.00 N ATOM 157 CA LEU A 11 2.841 15.471 -7.158 1.00 0.00 C ATOM 158 C LEU A 11 3.628 15.677 -8.464 1.00 0.00 C ATOM 159 O LEU A 11 4.295 16.700 -8.607 1.00 0.00 O ATOM 160 CB LEU A 11 3.582 14.577 -6.148 1.00 0.00 C ATOM 161 CG LEU A 11 2.905 14.468 -4.764 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.762 13.581 -3.854 1.00 0.00 C ATOM 163 CD2 LEU A 11 2.674 15.833 -4.095 1.00 0.00 C ATOM 0 H LEU A 11 1.351 14.002 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 11 2.747 16.467 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.677 13.577 -6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.592 14.964 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 11 1.920 14.027 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.289 13.500 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.855 12.589 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.752 14.023 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.196 15.687 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.631 16.336 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.032 16.445 -4.729 1.00 0.00 H new ATOM 175 N ASP A 12 3.474 14.792 -9.455 1.00 0.00 N ATOM 176 CA ASP A 12 4.002 14.972 -10.814 1.00 0.00 C ATOM 177 C ASP A 12 3.436 16.233 -11.490 1.00 0.00 C ATOM 178 O ASP A 12 4.204 17.074 -11.961 1.00 0.00 O ATOM 179 CB ASP A 12 3.719 13.721 -11.654 1.00 0.00 C ATOM 180 CG ASP A 12 4.297 13.855 -13.071 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.532 13.699 -13.228 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.517 14.095 -14.022 1.00 0.00 O ATOM 0 H ASP A 12 2.970 13.914 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 12 5.080 15.113 -10.741 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.150 12.847 -11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.643 13.556 -11.712 1.00 0.00 H new ATOM 187 N LYS A 13 2.112 16.443 -11.462 1.00 0.00 N ATOM 188 CA LYS A 13 1.492 17.685 -11.949 1.00 0.00 C ATOM 189 C LYS A 13 2.001 18.917 -11.180 1.00 0.00 C ATOM 190 O LYS A 13 2.339 19.926 -11.800 1.00 0.00 O ATOM 191 CB LYS A 13 -0.044 17.569 -11.906 1.00 0.00 C ATOM 192 CG LYS A 13 -0.574 16.658 -13.028 1.00 0.00 C ATOM 193 CD LYS A 13 -2.107 16.589 -13.075 1.00 0.00 C ATOM 194 CE LYS A 13 -2.718 16.002 -11.790 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.198 15.873 -11.895 1.00 0.00 N ATOM 0 H LYS A 13 1.443 15.761 -11.103 1.00 0.00 H new ATOM 0 HA LYS A 13 1.788 17.829 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.353 17.173 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.487 18.560 -12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.203 17.020 -13.987 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.175 15.653 -12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.506 17.590 -13.237 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.413 15.982 -13.927 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.280 15.024 -11.593 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.467 16.640 -10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.575 15.474 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.617 16.810 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.436 15.244 -12.688 1.00 0.00 H new ATOM 209 N VAL A 14 2.151 18.833 -9.854 1.00 0.00 N ATOM 210 CA VAL A 14 2.736 19.914 -9.033 1.00 0.00 C ATOM 211 C VAL A 14 4.192 20.211 -9.435 1.00 0.00 C ATOM 212 O VAL A 14 4.494 21.356 -9.764 1.00 0.00 O ATOM 213 CB VAL A 14 2.560 19.656 -7.521 1.00 0.00 C ATOM 214 CG1 VAL A 14 3.378 20.606 -6.628 1.00 0.00 C ATOM 215 CG2 VAL A 14 1.082 19.775 -7.112 1.00 0.00 C ATOM 0 H VAL A 14 1.872 18.015 -9.313 1.00 0.00 H new ATOM 0 HA VAL A 14 2.174 20.824 -9.243 1.00 0.00 H new ATOM 0 HB VAL A 14 2.931 18.643 -7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.202 20.362 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.439 20.494 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.074 21.635 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.984 19.589 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.721 20.778 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.492 19.043 -7.663 1.00 0.00 H new ATOM 225 N VAL A 15 5.090 19.214 -9.484 1.00 0.00 N ATOM 226 CA VAL A 15 6.515 19.467 -9.790 1.00 0.00 C ATOM 227 C VAL A 15 6.755 19.898 -11.244 1.00 0.00 C ATOM 228 O VAL A 15 7.657 20.693 -11.482 1.00 0.00 O ATOM 229 CB VAL A 15 7.429 18.292 -9.374 1.00 0.00 C ATOM 230 CG1 VAL A 15 7.368 17.107 -10.348 1.00 0.00 C ATOM 231 CG2 VAL A 15 8.888 18.753 -9.221 1.00 0.00 C ATOM 0 H VAL A 15 4.862 18.234 -9.318 1.00 0.00 H new ATOM 0 HA VAL A 15 6.798 20.320 -9.173 1.00 0.00 H new ATOM 0 HB VAL A 15 7.049 17.947 -8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.032 16.315 -10.000 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.347 16.729 -10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.682 17.434 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.508 17.906 -8.928 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.245 19.153 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.947 19.528 -8.456 1.00 0.00 H new ATOM 241 N THR A 16 5.932 19.451 -12.203 1.00 0.00 N ATOM 242 CA THR A 16 6.004 19.920 -13.603 1.00 0.00 C ATOM 243 C THR A 16 5.424 21.324 -13.784 1.00 0.00 C ATOM 244 O THR A 16 5.916 22.070 -14.625 1.00 0.00 O ATOM 245 CB THR A 16 5.355 18.935 -14.585 1.00 0.00 C ATOM 246 OG1 THR A 16 4.045 18.622 -14.180 1.00 0.00 O ATOM 247 CG2 THR A 16 6.152 17.633 -14.690 1.00 0.00 C ATOM 0 H THR A 16 5.201 18.759 -12.037 1.00 0.00 H new ATOM 0 HA THR A 16 7.067 19.972 -13.839 1.00 0.00 H new ATOM 0 HB THR A 16 5.341 19.424 -15.559 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.076 17.996 -13.427 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.661 16.962 -15.394 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.161 17.851 -15.040 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.203 17.157 -13.711 1.00 0.00 H new ATOM 255 N SER A 17 4.438 21.721 -12.977 1.00 0.00 N ATOM 256 CA SER A 17 3.853 23.073 -13.035 1.00 0.00 C ATOM 257 C SER A 17 4.732 24.140 -12.352 1.00 0.00 C ATOM 258 O SER A 17 4.862 25.252 -12.869 1.00 0.00 O ATOM 259 CB SER A 17 2.453 23.092 -12.392 1.00 0.00 C ATOM 260 OG SER A 17 1.561 22.196 -13.039 1.00 0.00 O ATOM 0 H SER A 17 4.020 21.121 -12.266 1.00 0.00 H new ATOM 0 HA SER A 17 3.785 23.323 -14.094 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.534 22.826 -11.338 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.047 24.103 -12.435 1.00 0.00 H new ATOM 0 HG SER A 17 1.594 21.324 -12.594 1.00 0.00 H new ATOM 266 N HIS A 18 5.334 23.824 -11.196 1.00 0.00 N ATOM 267 CA HIS A 18 6.066 24.800 -10.367 1.00 0.00 C ATOM 268 C HIS A 18 7.605 24.645 -10.400 1.00 0.00 C ATOM 269 O HIS A 18 8.316 25.493 -9.863 1.00 0.00 O ATOM 270 CB HIS A 18 5.527 24.697 -8.927 1.00 0.00 C ATOM 271 CG HIS A 18 4.060 25.049 -8.822 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.525 26.318 -8.822 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.011 24.173 -8.720 1.00 0.00 C ATOM 274 CE1 HIS A 18 2.187 26.206 -8.729 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.822 24.910 -8.668 1.00 0.00 N ATOM 0 H HIS A 18 5.328 22.881 -10.806 1.00 0.00 H new ATOM 0 HA HIS A 18 5.888 25.790 -10.787 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.679 23.682 -8.559 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.102 25.360 -8.281 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.089 23.096 -8.686 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.501 27.040 -8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.873 24.542 -8.598 1.00 0.00 H new ATOM 283 N LYS A 19 8.136 23.561 -10.987 1.00 0.00 N ATOM 284 CA LYS A 19 9.565 23.217 -11.180 1.00 0.00 C ATOM 285 C LYS A 19 10.366 22.974 -9.883 1.00 0.00 C ATOM 286 O LYS A 19 11.058 21.961 -9.786 1.00 0.00 O ATOM 287 CB LYS A 19 10.254 24.229 -12.119 1.00 0.00 C ATOM 288 CG LYS A 19 9.598 24.240 -13.511 1.00 0.00 C ATOM 289 CD LYS A 19 10.482 24.934 -14.555 1.00 0.00 C ATOM 290 CE LYS A 19 9.811 24.873 -15.934 1.00 0.00 C ATOM 291 NZ LYS A 19 10.758 25.231 -17.026 1.00 0.00 N ATOM 0 H LYS A 19 7.530 22.837 -11.374 1.00 0.00 H new ATOM 0 HA LYS A 19 9.563 22.240 -11.664 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.202 25.226 -11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.310 23.978 -12.215 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.399 23.216 -13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.636 24.748 -13.455 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.650 25.972 -14.269 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.459 24.452 -14.595 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.422 23.869 -16.105 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.959 25.553 -15.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.242 25.294 -17.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.200 26.149 -16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.495 24.501 -17.100 1.00 0.00 H new ATOM 305 N VAL A 20 10.261 23.861 -8.891 1.00 0.00 N ATOM 306 CA VAL A 20 10.888 23.759 -7.559 1.00 0.00 C ATOM 307 C VAL A 20 9.796 23.658 -6.490 1.00 0.00 C ATOM 308 O VAL A 20 8.933 24.533 -6.395 1.00 0.00 O ATOM 309 CB VAL A 20 11.814 24.962 -7.248 1.00 0.00 C ATOM 310 CG1 VAL A 20 12.620 24.683 -5.969 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.800 25.279 -8.388 1.00 0.00 C ATOM 0 H VAL A 20 9.711 24.714 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 20 11.509 22.863 -7.555 1.00 0.00 H new ATOM 0 HB VAL A 20 11.162 25.827 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.269 25.532 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.936 24.530 -5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.227 23.789 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.419 26.131 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.436 24.413 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.244 25.518 -9.294 1.00 0.00 H new ATOM 321 N VAL A 21 9.832 22.588 -5.692 1.00 0.00 N ATOM 322 CA VAL A 21 8.789 22.265 -4.706 1.00 0.00 C ATOM 323 C VAL A 21 9.429 21.923 -3.359 1.00 0.00 C ATOM 324 O VAL A 21 10.403 21.180 -3.303 1.00 0.00 O ATOM 325 CB VAL A 21 7.892 21.104 -5.195 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.710 20.866 -4.240 1.00 0.00 C ATOM 327 CG2 VAL A 21 7.321 21.365 -6.600 1.00 0.00 C ATOM 0 H VAL A 21 10.595 21.911 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 21 8.153 23.142 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 21 8.535 20.224 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.100 20.043 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.088 20.616 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.103 21.769 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.698 20.523 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.720 22.274 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.140 21.482 -7.310 1.00 0.00 H new ATOM 337 N LEU A 22 8.874 22.460 -2.274 1.00 0.00 N ATOM 338 CA LEU A 22 9.316 22.246 -0.897 1.00 0.00 C ATOM 339 C LEU A 22 8.244 21.443 -0.149 1.00 0.00 C ATOM 340 O LEU A 22 7.065 21.796 -0.177 1.00 0.00 O ATOM 341 CB LEU A 22 9.595 23.645 -0.301 1.00 0.00 C ATOM 342 CG LEU A 22 10.287 23.737 1.074 1.00 0.00 C ATOM 343 CD1 LEU A 22 9.329 23.486 2.243 1.00 0.00 C ATOM 344 CD2 LEU A 22 11.503 22.808 1.186 1.00 0.00 C ATOM 0 H LEU A 22 8.069 23.083 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 22 10.230 21.658 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.207 24.194 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.642 24.170 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 22 10.637 24.767 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.874 23.564 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.530 24.227 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.900 22.488 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.952 22.913 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.187 21.775 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.236 23.075 0.424 1.00 0.00 H new ATOM 356 N PHE A 23 8.640 20.354 0.511 1.00 0.00 N ATOM 357 CA PHE A 23 7.738 19.482 1.267 1.00 0.00 C ATOM 358 C PHE A 23 7.988 19.656 2.772 1.00 0.00 C ATOM 359 O PHE A 23 9.092 19.398 3.247 1.00 0.00 O ATOM 360 CB PHE A 23 7.953 18.025 0.825 1.00 0.00 C ATOM 361 CG PHE A 23 7.436 17.682 -0.563 1.00 0.00 C ATOM 362 CD1 PHE A 23 8.125 18.107 -1.716 1.00 0.00 C ATOM 363 CD2 PHE A 23 6.266 16.912 -0.702 1.00 0.00 C ATOM 364 CE1 PHE A 23 7.636 17.768 -2.992 1.00 0.00 C ATOM 365 CE2 PHE A 23 5.789 16.571 -1.977 1.00 0.00 C ATOM 366 CZ PHE A 23 6.471 16.999 -3.126 1.00 0.00 C ATOM 0 H PHE A 23 9.612 20.047 0.536 1.00 0.00 H new ATOM 0 HA PHE A 23 6.701 19.752 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 23 9.020 17.806 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.468 17.369 1.547 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.028 18.692 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.733 16.582 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.162 18.103 -3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.893 15.976 -2.074 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.101 16.738 -4.107 1.00 0.00 H new ATOM 376 N MET A 24 6.958 20.075 3.516 1.00 0.00 N ATOM 377 CA MET A 24 6.991 20.345 4.966 1.00 0.00 C ATOM 378 C MET A 24 5.585 20.233 5.565 1.00 0.00 C ATOM 379 O MET A 24 4.607 20.205 4.830 1.00 0.00 O ATOM 380 CB MET A 24 7.611 21.734 5.237 1.00 0.00 C ATOM 381 CG MET A 24 6.803 22.884 4.632 1.00 0.00 C ATOM 382 SD MET A 24 7.426 24.518 5.084 1.00 0.00 S ATOM 383 CE MET A 24 6.319 25.457 4.019 1.00 0.00 C ATOM 0 H MET A 24 6.037 20.244 3.111 1.00 0.00 H new ATOM 0 HA MET A 24 7.618 19.597 5.451 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.694 21.884 6.313 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.623 21.758 4.833 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.808 22.789 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.765 22.798 4.954 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.547 26.520 4.104 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.452 25.139 2.985 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.287 25.282 4.322 1.00 0.00 H new ATOM 393 N LYS A 25 5.439 20.190 6.890 1.00 0.00 N ATOM 394 CA LYS A 25 4.132 19.983 7.562 1.00 0.00 C ATOM 395 C LYS A 25 3.230 21.244 7.628 1.00 0.00 C ATOM 396 O LYS A 25 2.490 21.451 8.593 1.00 0.00 O ATOM 397 CB LYS A 25 4.376 19.270 8.909 1.00 0.00 C ATOM 398 CG LYS A 25 5.110 20.120 9.958 1.00 0.00 C ATOM 399 CD LYS A 25 5.329 19.338 11.262 1.00 0.00 C ATOM 400 CE LYS A 25 6.126 20.139 12.309 1.00 0.00 C ATOM 401 NZ LYS A 25 5.403 21.348 12.798 1.00 0.00 N ATOM 0 H LYS A 25 6.219 20.297 7.539 1.00 0.00 H new ATOM 0 HA LYS A 25 3.520 19.327 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.416 18.959 9.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.953 18.364 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.072 20.441 9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.534 21.022 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.362 19.061 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.858 18.411 11.040 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.353 19.492 13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.079 20.444 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.926 21.767 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.328 22.043 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.450 21.078 13.115 1.00 0.00 H new ATOM 415 N GLY A 26 3.334 22.116 6.615 1.00 0.00 N ATOM 416 CA GLY A 26 2.572 23.363 6.457 1.00 0.00 C ATOM 417 C GLY A 26 2.469 23.821 5.000 1.00 0.00 C ATOM 418 O GLY A 26 3.223 23.353 4.146 1.00 0.00 O ATOM 0 H GLY A 26 3.985 21.963 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.569 23.223 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.045 24.148 7.046 1.00 0.00 H new ATOM 422 N THR A 27 1.533 24.734 4.725 1.00 0.00 N ATOM 423 CA THR A 27 1.293 25.329 3.398 1.00 0.00 C ATOM 424 C THR A 27 2.268 26.475 3.121 1.00 0.00 C ATOM 425 O THR A 27 3.064 26.867 3.973 1.00 0.00 O ATOM 426 CB THR A 27 -0.162 25.821 3.287 1.00 0.00 C ATOM 427 OG1 THR A 27 -0.365 26.813 4.263 1.00 0.00 O ATOM 428 CG2 THR A 27 -1.188 24.709 3.500 1.00 0.00 C ATOM 0 H THR A 27 0.899 25.094 5.439 1.00 0.00 H new ATOM 0 HA THR A 27 1.461 24.557 2.647 1.00 0.00 H new ATOM 0 HB THR A 27 -0.306 26.203 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.287 27.142 4.209 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.194 25.120 3.409 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.044 23.932 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.059 24.281 4.494 1.00 0.00 H new ATOM 436 N LYS A 28 2.161 27.067 1.929 1.00 0.00 N ATOM 437 CA LYS A 28 2.875 28.299 1.565 1.00 0.00 C ATOM 438 C LYS A 28 2.434 29.511 2.418 1.00 0.00 C ATOM 439 O LYS A 28 3.218 30.436 2.636 1.00 0.00 O ATOM 440 CB LYS A 28 2.651 28.526 0.057 1.00 0.00 C ATOM 441 CG LYS A 28 3.547 29.622 -0.545 1.00 0.00 C ATOM 442 CD LYS A 28 3.566 29.570 -2.083 1.00 0.00 C ATOM 443 CE LYS A 28 2.171 29.801 -2.687 1.00 0.00 C ATOM 444 NZ LYS A 28 2.155 29.594 -4.159 1.00 0.00 N ATOM 0 H LYS A 28 1.571 26.703 1.180 1.00 0.00 H new ATOM 0 HA LYS A 28 3.940 28.191 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.831 27.591 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.607 28.791 -0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.192 30.600 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.563 29.509 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.254 30.325 -2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.945 28.601 -2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.457 29.123 -2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.842 30.815 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.365 30.127 -4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.052 29.928 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.037 28.582 -4.366 1.00 0.00 H new ATOM 458 N ASP A 29 1.192 29.493 2.925 1.00 0.00 N ATOM 459 CA ASP A 29 0.625 30.517 3.820 1.00 0.00 C ATOM 460 C ASP A 29 0.949 30.271 5.309 1.00 0.00 C ATOM 461 O ASP A 29 1.018 31.226 6.085 1.00 0.00 O ATOM 462 CB ASP A 29 -0.895 30.575 3.594 1.00 0.00 C ATOM 463 CG ASP A 29 -1.541 31.795 4.273 1.00 0.00 C ATOM 464 OD1 ASP A 29 -1.179 32.944 3.917 1.00 0.00 O ATOM 465 OD2 ASP A 29 -2.439 31.608 5.127 1.00 0.00 O ATOM 0 H ASP A 29 0.533 28.743 2.718 1.00 0.00 H new ATOM 0 HA ASP A 29 1.086 31.473 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.100 30.607 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.352 29.663 3.979 1.00 0.00 H new ATOM 470 N PHE A 30 1.194 29.008 5.697 1.00 0.00 N ATOM 471 CA PHE A 30 1.633 28.590 7.035 1.00 0.00 C ATOM 472 C PHE A 30 3.012 27.887 6.977 1.00 0.00 C ATOM 473 O PHE A 30 3.103 26.687 7.280 1.00 0.00 O ATOM 474 CB PHE A 30 0.543 27.706 7.673 1.00 0.00 C ATOM 475 CG PHE A 30 -0.799 28.389 7.882 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.904 29.493 8.752 1.00 0.00 C ATOM 477 CD2 PHE A 30 -1.950 27.910 7.227 1.00 0.00 C ATOM 478 CE1 PHE A 30 -2.149 30.115 8.959 1.00 0.00 C ATOM 479 CE2 PHE A 30 -3.194 28.533 7.431 1.00 0.00 C ATOM 480 CZ PHE A 30 -3.295 29.634 8.299 1.00 0.00 C ATOM 0 H PHE A 30 1.086 28.219 5.059 1.00 0.00 H new ATOM 0 HA PHE A 30 1.770 29.468 7.667 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.393 26.829 7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.905 27.348 8.637 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.026 29.863 9.261 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.877 27.060 6.565 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.225 30.962 9.625 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.072 28.165 6.921 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.251 30.110 8.459 1.00 0.00 H new ATOM 490 N PRO A 31 4.095 28.602 6.592 1.00 0.00 N ATOM 491 CA PRO A 31 5.431 28.025 6.479 1.00 0.00 C ATOM 492 C PRO A 31 5.967 27.598 7.848 1.00 0.00 C ATOM 493 O PRO A 31 5.615 28.172 8.879 1.00 0.00 O ATOM 494 CB PRO A 31 6.303 29.097 5.815 1.00 0.00 C ATOM 495 CG PRO A 31 5.633 30.397 6.260 1.00 0.00 C ATOM 496 CD PRO A 31 4.150 30.025 6.283 1.00 0.00 C ATOM 0 HA PRO A 31 5.427 27.115 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.339 29.040 6.149 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.312 28.997 4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.985 30.718 7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.834 31.213 5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.614 30.607 7.032 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.681 30.233 5.321 1.00 0.00 H new ATOM 504 N GLN A 32 6.812 26.562 7.855 1.00 0.00 N ATOM 505 CA GLN A 32 7.259 25.906 9.083 1.00 0.00 C ATOM 506 C GLN A 32 8.596 26.492 9.550 1.00 0.00 C ATOM 507 O GLN A 32 9.613 26.372 8.861 1.00 0.00 O ATOM 508 CB GLN A 32 7.335 24.387 8.849 1.00 0.00 C ATOM 509 CG GLN A 32 5.959 23.773 8.521 1.00 0.00 C ATOM 510 CD GLN A 32 4.966 23.927 9.678 1.00 0.00 C ATOM 511 OE1 GLN A 32 5.140 23.363 10.750 1.00 0.00 O ATOM 512 NE2 GLN A 32 3.914 24.705 9.542 1.00 0.00 N ATOM 0 H GLN A 32 7.205 26.156 7.006 1.00 0.00 H new ATOM 0 HA GLN A 32 6.542 26.088 9.883 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.025 24.182 8.031 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.742 23.905 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.553 24.251 7.630 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.081 22.715 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.747 25.186 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.266 24.827 10.320 1.00 0.00 H new ATOM 521 N CYS A 33 8.581 27.145 10.718 1.00 0.00 N ATOM 522 CA CYS A 33 9.712 27.891 11.274 1.00 0.00 C ATOM 523 C CYS A 33 10.968 27.018 11.464 1.00 0.00 C ATOM 524 O CYS A 33 10.887 25.828 11.791 1.00 0.00 O ATOM 525 CB CYS A 33 9.274 28.571 12.583 1.00 0.00 C ATOM 526 SG CYS A 33 7.900 29.717 12.257 1.00 0.00 S ATOM 0 H CYS A 33 7.757 27.169 11.318 1.00 0.00 H new ATOM 0 HA CYS A 33 10.005 28.657 10.556 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.966 27.818 13.309 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.113 29.111 13.021 1.00 0.00 H new ATOM 0 HG CYS A 33 8.210 30.495 11.263 1.00 0.00 H new ATOM 532 N GLY A 34 12.137 27.642 11.280 1.00 0.00 N ATOM 533 CA GLY A 34 13.434 26.963 11.191 1.00 0.00 C ATOM 534 C GLY A 34 13.809 26.726 9.731 1.00 0.00 C ATOM 535 O GLY A 34 13.441 27.516 8.860 1.00 0.00 O ATOM 0 H GLY A 34 12.209 28.655 11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.201 27.565 11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.391 26.012 11.722 1.00 0.00 H new ATOM 539 N PHE A 35 14.544 25.644 9.459 1.00 0.00 N ATOM 540 CA PHE A 35 15.168 25.381 8.158 1.00 0.00 C ATOM 541 C PHE A 35 14.191 25.439 6.975 1.00 0.00 C ATOM 542 O PHE A 35 14.532 26.006 5.946 1.00 0.00 O ATOM 543 CB PHE A 35 15.898 24.028 8.206 1.00 0.00 C ATOM 544 CG PHE A 35 16.917 23.894 9.323 1.00 0.00 C ATOM 545 CD1 PHE A 35 18.095 24.667 9.299 1.00 0.00 C ATOM 546 CD2 PHE A 35 16.689 23.002 10.391 1.00 0.00 C ATOM 547 CE1 PHE A 35 19.033 24.554 10.339 1.00 0.00 C ATOM 548 CE2 PHE A 35 17.631 22.889 11.429 1.00 0.00 C ATOM 549 CZ PHE A 35 18.802 23.669 11.404 1.00 0.00 C ATOM 0 H PHE A 35 14.725 24.914 10.148 1.00 0.00 H new ATOM 0 HA PHE A 35 15.881 26.186 7.979 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.158 23.235 8.312 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.402 23.869 7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.277 25.347 8.480 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.789 22.405 10.412 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.934 25.149 10.319 1.00 0.00 H new ATOM 0 HE2 PHE A 35 17.456 22.204 12.245 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.523 23.587 12.204 1.00 0.00 H new ATOM 559 N SER A 36 12.973 24.911 7.087 1.00 0.00 N ATOM 560 CA SER A 36 11.997 24.916 5.984 1.00 0.00 C ATOM 561 C SER A 36 11.555 26.339 5.593 1.00 0.00 C ATOM 562 O SER A 36 11.623 26.698 4.414 1.00 0.00 O ATOM 563 CB SER A 36 10.801 24.036 6.358 1.00 0.00 C ATOM 564 OG SER A 36 11.268 22.733 6.663 1.00 0.00 O ATOM 0 H SER A 36 12.630 24.468 7.939 1.00 0.00 H new ATOM 0 HA SER A 36 12.482 24.503 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.275 24.458 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.089 23.998 5.534 1.00 0.00 H new ATOM 0 HG SER A 36 11.895 22.440 5.970 1.00 0.00 H new ATOM 570 N GLN A 37 11.217 27.196 6.565 1.00 0.00 N ATOM 571 CA GLN A 37 10.978 28.627 6.324 1.00 0.00 C ATOM 572 C GLN A 37 12.215 29.278 5.688 1.00 0.00 C ATOM 573 O GLN A 37 12.074 29.983 4.688 1.00 0.00 O ATOM 574 CB GLN A 37 10.597 29.324 7.643 1.00 0.00 C ATOM 575 CG GLN A 37 10.164 30.784 7.432 1.00 0.00 C ATOM 576 CD GLN A 37 10.099 31.561 8.751 1.00 0.00 C ATOM 577 OE1 GLN A 37 9.424 31.182 9.701 1.00 0.00 O ATOM 578 NE2 GLN A 37 10.813 32.664 8.865 1.00 0.00 N ATOM 0 H GLN A 37 11.101 26.919 7.540 1.00 0.00 H new ATOM 0 HA GLN A 37 10.148 28.738 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.787 28.773 8.121 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.447 29.295 8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.864 31.275 6.756 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.187 30.806 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.379 32.989 8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.800 33.192 9.737 1.00 0.00 H new ATOM 587 N THR A 38 13.424 28.986 6.193 1.00 0.00 N ATOM 588 CA THR A 38 14.676 29.489 5.612 1.00 0.00 C ATOM 589 C THR A 38 14.818 29.041 4.164 1.00 0.00 C ATOM 590 O THR A 38 15.126 29.870 3.322 1.00 0.00 O ATOM 591 CB THR A 38 15.895 29.085 6.447 1.00 0.00 C ATOM 592 OG1 THR A 38 15.655 29.410 7.796 1.00 0.00 O ATOM 593 CG2 THR A 38 17.147 29.849 6.010 1.00 0.00 C ATOM 0 H THR A 38 13.560 28.396 7.014 1.00 0.00 H new ATOM 0 HA THR A 38 14.631 30.578 5.625 1.00 0.00 H new ATOM 0 HB THR A 38 16.054 28.015 6.310 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.077 28.728 8.199 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.994 29.539 6.622 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.358 29.633 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.982 30.919 6.134 1.00 0.00 H new ATOM 601 N VAL A 39 14.524 27.783 3.836 1.00 0.00 N ATOM 602 CA VAL A 39 14.521 27.266 2.454 1.00 0.00 C ATOM 603 C VAL A 39 13.482 27.982 1.579 1.00 0.00 C ATOM 604 O VAL A 39 13.800 28.349 0.451 1.00 0.00 O ATOM 605 CB VAL A 39 14.329 25.737 2.407 1.00 0.00 C ATOM 606 CG1 VAL A 39 14.067 25.221 0.981 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.589 25.043 2.937 1.00 0.00 C ATOM 0 H VAL A 39 14.276 27.077 4.530 1.00 0.00 H new ATOM 0 HA VAL A 39 15.506 27.482 2.040 1.00 0.00 H new ATOM 0 HB VAL A 39 13.460 25.509 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.939 24.139 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.163 25.685 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.913 25.473 0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.451 23.962 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.444 25.319 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.770 25.353 3.966 1.00 0.00 H new ATOM 617 N VAL A 40 12.272 28.234 2.094 1.00 0.00 N ATOM 618 CA VAL A 40 11.256 29.036 1.385 1.00 0.00 C ATOM 619 C VAL A 40 11.786 30.448 1.076 1.00 0.00 C ATOM 620 O VAL A 40 11.707 30.898 -0.070 1.00 0.00 O ATOM 621 CB VAL A 40 9.924 29.070 2.179 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.006 30.237 1.782 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.178 27.735 2.010 1.00 0.00 C ATOM 0 H VAL A 40 11.967 27.893 3.006 1.00 0.00 H new ATOM 0 HA VAL A 40 11.046 28.558 0.428 1.00 0.00 H new ATOM 0 HB VAL A 40 10.189 29.225 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.093 30.200 2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.519 31.181 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.754 30.158 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.244 27.767 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.962 27.570 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.799 26.921 2.385 1.00 0.00 H new ATOM 633 N GLN A 41 12.380 31.128 2.067 1.00 0.00 N ATOM 634 CA GLN A 41 12.988 32.454 1.890 1.00 0.00 C ATOM 635 C GLN A 41 14.191 32.408 0.932 1.00 0.00 C ATOM 636 O GLN A 41 14.352 33.318 0.124 1.00 0.00 O ATOM 637 CB GLN A 41 13.395 33.035 3.260 1.00 0.00 C ATOM 638 CG GLN A 41 12.183 33.435 4.123 1.00 0.00 C ATOM 639 CD GLN A 41 12.589 34.028 5.479 1.00 0.00 C ATOM 640 OE1 GLN A 41 12.339 33.465 6.537 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.225 35.184 5.511 1.00 0.00 N ATOM 0 H GLN A 41 12.452 30.771 3.020 1.00 0.00 H new ATOM 0 HA GLN A 41 12.244 33.108 1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.992 32.299 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.029 33.908 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.580 34.162 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.555 32.559 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.443 35.670 4.641 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.498 35.591 6.405 1.00 0.00 H new ATOM 650 N ILE A 42 15.000 31.346 0.978 1.00 0.00 N ATOM 651 CA ILE A 42 16.179 31.115 0.123 1.00 0.00 C ATOM 652 C ILE A 42 15.819 31.075 -1.362 1.00 0.00 C ATOM 653 O ILE A 42 16.436 31.804 -2.132 1.00 0.00 O ATOM 654 CB ILE A 42 16.921 29.840 0.615 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.932 30.261 1.703 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.563 28.964 -0.479 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.576 29.084 2.440 1.00 0.00 C ATOM 0 H ILE A 42 14.848 30.586 1.641 1.00 0.00 H new ATOM 0 HA ILE A 42 16.862 31.959 0.215 1.00 0.00 H new ATOM 0 HB ILE A 42 16.164 29.172 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.716 30.862 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.426 30.898 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.051 28.105 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.792 28.617 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.301 29.549 -1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.274 29.461 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.802 28.494 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.112 28.458 1.727 1.00 0.00 H new ATOM 669 N LEU A 43 14.822 30.285 -1.773 1.00 0.00 N ATOM 670 CA LEU A 43 14.405 30.197 -3.181 1.00 0.00 C ATOM 671 C LEU A 43 13.876 31.545 -3.677 1.00 0.00 C ATOM 672 O LEU A 43 14.319 32.085 -4.697 1.00 0.00 O ATOM 673 CB LEU A 43 13.321 29.114 -3.315 1.00 0.00 C ATOM 674 CG LEU A 43 13.795 27.677 -3.027 1.00 0.00 C ATOM 675 CD1 LEU A 43 12.564 26.763 -3.058 1.00 0.00 C ATOM 676 CD2 LEU A 43 14.861 27.230 -4.037 1.00 0.00 C ATOM 0 H LEU A 43 14.282 29.690 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 43 15.266 29.932 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.504 29.354 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.916 29.151 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 43 14.267 27.625 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.868 25.736 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.852 27.086 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.095 26.817 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 43 15.176 26.212 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.445 27.263 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.721 27.897 -3.978 1.00 0.00 H new ATOM 688 N LYS A 44 12.965 32.119 -2.890 1.00 0.00 N ATOM 689 CA LYS A 44 12.371 33.416 -3.172 1.00 0.00 C ATOM 690 C LYS A 44 13.471 34.471 -3.399 1.00 0.00 C ATOM 691 O LYS A 44 13.540 35.049 -4.486 1.00 0.00 O ATOM 692 CB LYS A 44 11.394 33.718 -2.023 1.00 0.00 C ATOM 693 CG LYS A 44 10.395 34.831 -2.355 1.00 0.00 C ATOM 694 CD LYS A 44 9.307 34.878 -1.271 1.00 0.00 C ATOM 695 CE LYS A 44 8.263 35.950 -1.616 1.00 0.00 C ATOM 696 NZ LYS A 44 7.230 36.088 -0.555 1.00 0.00 N ATOM 0 H LYS A 44 12.619 31.689 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 44 11.801 33.429 -4.101 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.846 32.810 -1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.962 34.001 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.908 35.791 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.944 34.651 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.825 33.904 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.757 35.096 -0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.762 36.908 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.781 35.695 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.546 36.822 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.735 35.182 -0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.686 36.357 0.340 1.00 0.00 H new ATOM 710 N SER A 45 14.382 34.614 -2.428 1.00 0.00 N ATOM 711 CA SER A 45 15.505 35.572 -2.397 1.00 0.00 C ATOM 712 C SER A 45 16.620 35.301 -3.423 1.00 0.00 C ATOM 713 O SER A 45 17.243 36.251 -3.904 1.00 0.00 O ATOM 714 CB SER A 45 16.152 35.611 -1.001 1.00 0.00 C ATOM 715 OG SER A 45 15.202 35.840 0.029 1.00 0.00 O ATOM 0 H SER A 45 14.357 34.031 -1.591 1.00 0.00 H new ATOM 0 HA SER A 45 15.047 36.526 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 45 16.665 34.668 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.908 36.396 -0.976 1.00 0.00 H new ATOM 0 HG SER A 45 14.902 34.981 0.394 1.00 0.00 H new ATOM 721 N LEU A 46 16.865 34.031 -3.792 1.00 0.00 N ATOM 722 CA LEU A 46 17.740 33.644 -4.907 1.00 0.00 C ATOM 723 C LEU A 46 17.248 34.301 -6.212 1.00 0.00 C ATOM 724 O LEU A 46 18.065 34.634 -7.071 1.00 0.00 O ATOM 725 CB LEU A 46 17.776 32.101 -4.994 1.00 0.00 C ATOM 726 CG LEU A 46 18.576 31.497 -6.168 1.00 0.00 C ATOM 727 CD1 LEU A 46 20.066 31.851 -6.090 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.409 29.971 -6.168 1.00 0.00 C ATOM 0 H LEU A 46 16.451 33.231 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 46 18.758 33.996 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.193 31.716 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.750 31.739 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 46 18.183 31.921 -7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.591 31.406 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 46 20.185 32.934 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 46 20.483 31.465 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.973 29.543 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.781 29.564 -5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.354 29.720 -6.280 1.00 0.00 H new ATOM 740 N ASN A 47 15.923 34.491 -6.301 1.00 0.00 N ATOM 741 CA ASN A 47 15.130 35.264 -7.274 1.00 0.00 C ATOM 742 C ASN A 47 14.291 34.301 -8.118 1.00 0.00 C ATOM 743 O ASN A 47 14.441 34.225 -9.341 1.00 0.00 O ATOM 744 CB ASN A 47 15.937 36.289 -8.103 1.00 0.00 C ATOM 745 CG ASN A 47 15.055 37.250 -8.901 1.00 0.00 C ATOM 746 OD1 ASN A 47 13.853 37.377 -8.683 1.00 0.00 O ATOM 747 ND2 ASN A 47 15.633 37.962 -9.854 1.00 0.00 N ATOM 0 H ASN A 47 15.308 34.056 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 47 14.456 35.910 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.576 36.865 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.594 35.754 -8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.081 38.617 -10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.631 37.857 -10.035 1.00 0.00 H new ATOM 754 N ALA A 48 13.448 33.512 -7.440 1.00 0.00 N ATOM 755 CA ALA A 48 12.751 32.394 -8.088 1.00 0.00 C ATOM 756 C ALA A 48 11.374 32.056 -7.480 1.00 0.00 C ATOM 757 O ALA A 48 11.181 32.236 -6.272 1.00 0.00 O ATOM 758 CB ALA A 48 13.682 31.167 -8.049 1.00 0.00 C ATOM 0 H ALA A 48 13.233 33.626 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 48 12.529 32.696 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.188 30.320 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.606 31.394 -8.581 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.912 30.918 -7.013 1.00 0.00 H new ATOM 764 N PRO A 49 10.433 31.531 -8.296 1.00 0.00 N ATOM 765 CA PRO A 49 9.180 30.969 -7.815 1.00 0.00 C ATOM 766 C PRO A 49 9.418 29.598 -7.168 1.00 0.00 C ATOM 767 O PRO A 49 10.454 28.956 -7.365 1.00 0.00 O ATOM 768 CB PRO A 49 8.278 30.867 -9.050 1.00 0.00 C ATOM 769 CG PRO A 49 9.274 30.605 -10.179 1.00 0.00 C ATOM 770 CD PRO A 49 10.492 31.426 -9.754 1.00 0.00 C ATOM 0 HA PRO A 49 8.719 31.587 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.553 30.059 -8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.713 31.784 -9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.512 29.545 -10.270 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.885 30.928 -11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.416 30.942 -10.071 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.475 32.413 -10.215 1.00 0.00 H new ATOM 778 N PHE A 50 8.422 29.149 -6.402 1.00 0.00 N ATOM 779 CA PHE A 50 8.450 27.925 -5.598 1.00 0.00 C ATOM 780 C PHE A 50 7.017 27.501 -5.229 1.00 0.00 C ATOM 781 O PHE A 50 6.083 28.303 -5.332 1.00 0.00 O ATOM 782 CB PHE A 50 9.298 28.170 -4.328 1.00 0.00 C ATOM 783 CG PHE A 50 8.613 29.022 -3.272 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.522 30.417 -3.443 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.030 28.417 -2.141 1.00 0.00 C ATOM 786 CE1 PHE A 50 7.816 31.198 -2.511 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.325 29.201 -1.209 1.00 0.00 C ATOM 788 CZ PHE A 50 7.208 30.589 -1.399 1.00 0.00 C ATOM 0 H PHE A 50 7.537 29.649 -6.321 1.00 0.00 H new ATOM 0 HA PHE A 50 8.902 27.117 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.558 27.207 -3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.232 28.652 -4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.996 30.888 -4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.124 27.352 -1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.741 32.266 -2.649 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.873 28.735 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.652 31.187 -0.692 1.00 0.00 H new ATOM 798 N GLU A 51 6.838 26.259 -4.769 1.00 0.00 N ATOM 799 CA GLU A 51 5.569 25.817 -4.174 1.00 0.00 C ATOM 800 C GLU A 51 5.809 24.997 -2.902 1.00 0.00 C ATOM 801 O GLU A 51 6.827 24.326 -2.777 1.00 0.00 O ATOM 802 CB GLU A 51 4.718 25.079 -5.222 1.00 0.00 C ATOM 803 CG GLU A 51 3.275 24.807 -4.773 1.00 0.00 C ATOM 804 CD GLU A 51 2.594 26.080 -4.243 1.00 0.00 C ATOM 805 OE1 GLU A 51 2.154 26.932 -5.049 1.00 0.00 O ATOM 806 OE2 GLU A 51 2.562 26.260 -3.004 1.00 0.00 O ATOM 0 H GLU A 51 7.558 25.537 -4.797 1.00 0.00 H new ATOM 0 HA GLU A 51 4.998 26.691 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.698 25.668 -6.139 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.198 24.130 -5.463 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.702 24.410 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.274 24.043 -3.995 1.00 0.00 H new ATOM 813 N SER A 52 4.894 25.061 -1.936 1.00 0.00 N ATOM 814 CA SER A 52 4.997 24.340 -0.660 1.00 0.00 C ATOM 815 C SER A 52 3.904 23.266 -0.535 1.00 0.00 C ATOM 816 O SER A 52 2.714 23.584 -0.500 1.00 0.00 O ATOM 817 CB SER A 52 4.891 25.318 0.514 1.00 0.00 C ATOM 818 OG SER A 52 5.996 26.206 0.525 1.00 0.00 O ATOM 0 H SER A 52 4.046 25.622 -2.015 1.00 0.00 H new ATOM 0 HA SER A 52 5.969 23.848 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.963 25.885 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.852 24.765 1.453 1.00 0.00 H new ATOM 0 HG SER A 52 5.911 26.825 1.280 1.00 0.00 H new ATOM 824 N VAL A 53 4.301 21.991 -0.441 1.00 0.00 N ATOM 825 CA VAL A 53 3.387 20.854 -0.246 1.00 0.00 C ATOM 826 C VAL A 53 3.253 20.558 1.250 1.00 0.00 C ATOM 827 O VAL A 53 4.247 20.281 1.921 1.00 0.00 O ATOM 828 CB VAL A 53 3.849 19.610 -1.037 1.00 0.00 C ATOM 829 CG1 VAL A 53 2.997 18.376 -0.700 1.00 0.00 C ATOM 830 CG2 VAL A 53 3.743 19.872 -2.550 1.00 0.00 C ATOM 0 H VAL A 53 5.281 21.714 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 53 2.406 21.121 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 53 4.884 19.416 -0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.352 17.521 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.080 18.156 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.955 18.574 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.071 18.988 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.708 20.095 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.374 20.719 -2.818 1.00 0.00 H new ATOM 840 N ASN A 54 2.012 20.599 1.747 1.00 0.00 N ATOM 841 CA ASN A 54 1.653 20.390 3.152 1.00 0.00 C ATOM 842 C ASN A 54 1.564 18.888 3.497 1.00 0.00 C ATOM 843 O ASN A 54 0.523 18.256 3.308 1.00 0.00 O ATOM 844 CB ASN A 54 0.332 21.133 3.422 1.00 0.00 C ATOM 845 CG ASN A 54 -0.146 21.025 4.868 1.00 0.00 C ATOM 846 OD1 ASN A 54 0.622 20.793 5.790 1.00 0.00 O ATOM 847 ND2 ASN A 54 -1.432 21.212 5.107 1.00 0.00 N ATOM 0 H ASN A 54 1.200 20.786 1.159 1.00 0.00 H new ATOM 0 HA ASN A 54 2.430 20.793 3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.458 22.185 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.440 20.736 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.786 21.163 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.071 21.406 4.336 1.00 0.00 H new ATOM 854 N ILE A 55 2.666 18.312 3.989 1.00 0.00 N ATOM 855 CA ILE A 55 2.749 16.903 4.438 1.00 0.00 C ATOM 856 C ILE A 55 2.107 16.732 5.829 1.00 0.00 C ATOM 857 O ILE A 55 1.678 17.710 6.441 1.00 0.00 O ATOM 858 CB ILE A 55 4.216 16.375 4.365 1.00 0.00 C ATOM 859 CG1 ILE A 55 5.055 16.710 5.622 1.00 0.00 C ATOM 860 CG2 ILE A 55 4.895 16.863 3.067 1.00 0.00 C ATOM 861 CD1 ILE A 55 6.559 16.438 5.516 1.00 0.00 C ATOM 0 H ILE A 55 3.547 18.816 4.092 1.00 0.00 H new ATOM 0 HA ILE A 55 2.171 16.282 3.754 1.00 0.00 H new ATOM 0 HB ILE A 55 4.164 15.286 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.912 17.764 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.660 16.138 6.461 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.918 16.488 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.340 16.493 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.907 17.953 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.045 16.709 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.724 15.379 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.980 17.031 4.704 1.00 0.00 H new ATOM 873 N LEU A 56 2.063 15.496 6.347 1.00 0.00 N ATOM 874 CA LEU A 56 1.698 15.132 7.734 1.00 0.00 C ATOM 875 C LEU A 56 0.186 15.219 7.996 1.00 0.00 C ATOM 876 O LEU A 56 -0.414 14.241 8.439 1.00 0.00 O ATOM 877 CB LEU A 56 2.504 15.993 8.754 1.00 0.00 C ATOM 878 CG LEU A 56 3.320 15.232 9.813 1.00 0.00 C ATOM 879 CD1 LEU A 56 2.435 14.322 10.679 1.00 0.00 C ATOM 880 CD2 LEU A 56 4.457 14.427 9.166 1.00 0.00 C ATOM 0 H LEU A 56 2.292 14.677 5.785 1.00 0.00 H new ATOM 0 HA LEU A 56 1.968 14.085 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.187 16.632 8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.805 16.650 9.271 1.00 0.00 H new ATOM 0 HG LEU A 56 3.761 15.981 10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.053 13.805 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.688 14.925 11.195 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.935 13.590 10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.016 13.900 9.940 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.038 13.705 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.125 15.104 8.634 1.00 0.00 H new ATOM 892 N GLU A 57 -0.426 16.367 7.713 1.00 0.00 N ATOM 893 CA GLU A 57 -1.838 16.660 7.990 1.00 0.00 C ATOM 894 C GLU A 57 -2.781 15.804 7.128 1.00 0.00 C ATOM 895 O GLU A 57 -3.750 15.241 7.640 1.00 0.00 O ATOM 896 CB GLU A 57 -2.108 18.157 7.753 1.00 0.00 C ATOM 897 CG GLU A 57 -1.325 19.092 8.687 1.00 0.00 C ATOM 898 CD GLU A 57 -1.725 18.905 10.158 1.00 0.00 C ATOM 899 OE1 GLU A 57 -2.815 19.385 10.556 1.00 0.00 O ATOM 900 OE2 GLU A 57 -0.953 18.290 10.931 1.00 0.00 O ATOM 0 H GLU A 57 0.060 17.147 7.270 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.038 16.410 9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.859 18.401 6.720 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.174 18.347 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.257 18.904 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.499 20.127 8.393 1.00 0.00 H new ATOM 907 N ASN A 58 -2.484 15.673 5.830 1.00 0.00 N ATOM 908 CA ASN A 58 -3.247 14.860 4.879 1.00 0.00 C ATOM 909 C ASN A 58 -2.743 13.404 4.862 1.00 0.00 C ATOM 910 O ASN A 58 -1.550 13.160 4.676 1.00 0.00 O ATOM 911 CB ASN A 58 -3.145 15.521 3.495 1.00 0.00 C ATOM 912 CG ASN A 58 -3.872 14.715 2.427 1.00 0.00 C ATOM 913 OD1 ASN A 58 -3.378 13.691 1.976 1.00 0.00 O ATOM 914 ND2 ASN A 58 -5.060 15.122 2.021 1.00 0.00 N ATOM 0 H ASN A 58 -1.686 16.142 5.402 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.294 14.814 5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.565 16.526 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.096 15.626 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.574 14.581 1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.464 15.977 2.403 1.00 0.00 H new ATOM 921 N GLU A 59 -3.647 12.434 5.014 1.00 0.00 N ATOM 922 CA GLU A 59 -3.328 11.006 5.140 1.00 0.00 C ATOM 923 C GLU A 59 -2.739 10.396 3.853 1.00 0.00 C ATOM 924 O GLU A 59 -1.784 9.618 3.927 1.00 0.00 O ATOM 925 CB GLU A 59 -4.578 10.206 5.559 1.00 0.00 C ATOM 926 CG GLU A 59 -5.278 10.728 6.826 1.00 0.00 C ATOM 927 CD GLU A 59 -6.472 11.646 6.504 1.00 0.00 C ATOM 928 OE1 GLU A 59 -6.278 12.713 5.874 1.00 0.00 O ATOM 929 OE2 GLU A 59 -7.618 11.296 6.876 1.00 0.00 O ATOM 0 H GLU A 59 -4.649 12.623 5.054 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.561 10.937 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.292 10.215 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.291 9.167 5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.624 9.883 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.558 11.274 7.436 1.00 0.00 H new ATOM 936 N LEU A 60 -3.265 10.760 2.675 1.00 0.00 N ATOM 937 CA LEU A 60 -2.780 10.273 1.379 1.00 0.00 C ATOM 938 C LEU A 60 -1.321 10.684 1.142 1.00 0.00 C ATOM 939 O LEU A 60 -0.514 9.863 0.711 1.00 0.00 O ATOM 940 CB LEU A 60 -3.724 10.783 0.267 1.00 0.00 C ATOM 941 CG LEU A 60 -3.408 10.256 -1.147 1.00 0.00 C ATOM 942 CD1 LEU A 60 -3.632 8.743 -1.268 1.00 0.00 C ATOM 943 CD2 LEU A 60 -4.269 10.987 -2.188 1.00 0.00 C ATOM 0 H LEU A 60 -4.048 11.409 2.596 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.791 9.183 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.746 10.504 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.686 11.872 0.250 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.352 10.451 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.396 8.420 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.986 8.222 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.674 8.511 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.038 10.607 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.324 10.818 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.057 12.056 -2.149 1.00 0.00 H new ATOM 955 N LEU A 61 -0.963 11.925 1.491 1.00 0.00 N ATOM 956 CA LEU A 61 0.426 12.401 1.481 1.00 0.00 C ATOM 957 C LEU A 61 1.256 11.678 2.550 1.00 0.00 C ATOM 958 O LEU A 61 2.312 11.148 2.226 1.00 0.00 O ATOM 959 CB LEU A 61 0.464 13.935 1.658 1.00 0.00 C ATOM 960 CG LEU A 61 0.327 14.730 0.341 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.041 14.589 -0.340 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.573 16.216 0.624 1.00 0.00 C ATOM 0 H LEU A 61 -1.634 12.633 1.791 1.00 0.00 H new ATOM 0 HA LEU A 61 0.875 12.168 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.339 14.231 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.402 14.210 2.139 1.00 0.00 H new ATOM 0 HG LEU A 61 1.066 14.312 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.053 15.178 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.222 13.541 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.821 14.948 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.478 16.783 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.160 16.575 1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.576 16.348 1.029 1.00 0.00 H new ATOM 974 N ARG A 62 0.764 11.583 3.793 1.00 0.00 N ATOM 975 CA ARG A 62 1.442 10.888 4.902 1.00 0.00 C ATOM 976 C ARG A 62 1.846 9.448 4.530 1.00 0.00 C ATOM 977 O ARG A 62 2.945 9.008 4.876 1.00 0.00 O ATOM 978 CB ARG A 62 0.521 10.910 6.137 1.00 0.00 C ATOM 979 CG ARG A 62 1.240 10.565 7.452 1.00 0.00 C ATOM 980 CD ARG A 62 0.247 10.280 8.592 1.00 0.00 C ATOM 981 NE ARG A 62 -0.648 11.426 8.843 1.00 0.00 N ATOM 982 CZ ARG A 62 -1.869 11.403 9.365 1.00 0.00 C ATOM 983 NH1 ARG A 62 -2.442 10.289 9.776 1.00 0.00 N ATOM 984 NH2 ARG A 62 -2.527 12.536 9.471 1.00 0.00 N ATOM 0 H ARG A 62 -0.130 11.993 4.063 1.00 0.00 H new ATOM 0 HA ARG A 62 2.371 11.412 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.073 11.900 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.295 10.204 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.877 9.694 7.299 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.892 11.391 7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.349 9.402 8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.798 10.044 9.502 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.286 12.344 8.585 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.945 9.401 9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.382 10.315 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.098 13.406 9.156 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.466 12.545 9.868 1.00 0.00 H new ATOM 998 N GLN A 63 0.978 8.722 3.819 1.00 0.00 N ATOM 999 CA GLN A 63 1.206 7.341 3.387 1.00 0.00 C ATOM 1000 C GLN A 63 2.035 7.238 2.089 1.00 0.00 C ATOM 1001 O GLN A 63 2.852 6.323 1.967 1.00 0.00 O ATOM 1002 CB GLN A 63 -0.181 6.692 3.228 1.00 0.00 C ATOM 1003 CG GLN A 63 -0.108 5.177 2.991 1.00 0.00 C ATOM 1004 CD GLN A 63 -1.501 4.539 2.961 1.00 0.00 C ATOM 1005 OE1 GLN A 63 -2.077 4.274 1.912 1.00 0.00 O ATOM 1006 NE2 GLN A 63 -2.109 4.282 4.103 1.00 0.00 N ATOM 0 H GLN A 63 0.074 9.089 3.521 1.00 0.00 H new ATOM 0 HA GLN A 63 1.804 6.818 4.134 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.772 6.887 4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.702 7.161 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.402 4.981 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.487 4.714 3.778 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.646 4.495 4.987 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.042 3.870 4.103 1.00 0.00 H new ATOM 1015 N GLY A 64 1.846 8.152 1.125 1.00 0.00 N ATOM 1016 CA GLY A 64 2.460 8.072 -0.209 1.00 0.00 C ATOM 1017 C GLY A 64 3.842 8.719 -0.337 1.00 0.00 C ATOM 1018 O GLY A 64 4.602 8.348 -1.234 1.00 0.00 O ATOM 0 H GLY A 64 1.257 8.975 1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.542 7.022 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.789 8.543 -0.928 1.00 0.00 H new ATOM 1022 N LEU A 65 4.185 9.670 0.539 1.00 0.00 N ATOM 1023 CA LEU A 65 5.525 10.269 0.622 1.00 0.00 C ATOM 1024 C LEU A 65 6.546 9.285 1.220 1.00 0.00 C ATOM 1025 O LEU A 65 6.206 8.153 1.569 1.00 0.00 O ATOM 1026 CB LEU A 65 5.440 11.610 1.375 1.00 0.00 C ATOM 1027 CG LEU A 65 4.639 12.684 0.608 1.00 0.00 C ATOM 1028 CD1 LEU A 65 4.453 13.904 1.512 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.336 13.116 -0.689 1.00 0.00 C ATOM 0 H LEU A 65 3.530 10.052 1.222 1.00 0.00 H new ATOM 0 HA LEU A 65 5.895 10.484 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.977 11.445 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.448 11.980 1.561 1.00 0.00 H new ATOM 0 HG LEU A 65 3.677 12.251 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.888 14.669 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.910 13.612 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.429 14.302 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.733 13.872 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.316 13.530 -0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.454 12.252 -1.344 1.00 0.00 H new ATOM 1041 N LYS A 66 7.825 9.689 1.240 1.00 0.00 N ATOM 1042 CA LYS A 66 9.022 8.879 1.554 1.00 0.00 C ATOM 1043 C LYS A 66 9.340 7.927 0.382 1.00 0.00 C ATOM 1044 O LYS A 66 10.433 7.969 -0.187 1.00 0.00 O ATOM 1045 CB LYS A 66 8.863 8.144 2.904 1.00 0.00 C ATOM 1046 CG LYS A 66 10.203 7.585 3.414 1.00 0.00 C ATOM 1047 CD LYS A 66 10.076 6.817 4.738 1.00 0.00 C ATOM 1048 CE LYS A 66 9.260 5.522 4.589 1.00 0.00 C ATOM 1049 NZ LYS A 66 9.230 4.739 5.856 1.00 0.00 N ATOM 0 H LYS A 66 8.072 10.655 1.023 1.00 0.00 H new ATOM 0 HA LYS A 66 9.880 9.541 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.450 8.829 3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.149 7.328 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.624 6.923 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.906 8.408 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.071 6.575 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.603 7.458 5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.241 5.767 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.689 4.911 3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.671 3.873 5.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.200 4.484 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.798 5.312 6.608 1.00 0.00 H new ATOM 1063 N GLU A 67 8.343 7.146 -0.040 1.00 0.00 N ATOM 1064 CA GLU A 67 8.393 6.249 -1.196 1.00 0.00 C ATOM 1065 C GLU A 67 8.429 7.017 -2.532 1.00 0.00 C ATOM 1066 O GLU A 67 9.158 6.620 -3.441 1.00 0.00 O ATOM 1067 CB GLU A 67 7.172 5.309 -1.177 1.00 0.00 C ATOM 1068 CG GLU A 67 7.060 4.444 0.089 1.00 0.00 C ATOM 1069 CD GLU A 67 8.305 3.573 0.321 1.00 0.00 C ATOM 1070 OE1 GLU A 67 8.497 2.578 -0.417 1.00 0.00 O ATOM 1071 OE2 GLU A 67 9.094 3.876 1.247 1.00 0.00 O ATOM 0 H GLU A 67 7.441 7.121 0.435 1.00 0.00 H new ATOM 0 HA GLU A 67 9.316 5.673 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.266 5.907 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.218 4.654 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.907 5.090 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.182 3.803 0.010 1.00 0.00 H new ATOM 1078 N TYR A 68 7.681 8.126 -2.654 1.00 0.00 N ATOM 1079 CA TYR A 68 7.597 8.915 -3.894 1.00 0.00 C ATOM 1080 C TYR A 68 8.942 9.545 -4.310 1.00 0.00 C ATOM 1081 O TYR A 68 9.356 9.411 -5.463 1.00 0.00 O ATOM 1082 CB TYR A 68 6.523 10.002 -3.717 1.00 0.00 C ATOM 1083 CG TYR A 68 6.452 11.000 -4.861 1.00 0.00 C ATOM 1084 CD1 TYR A 68 5.957 10.603 -6.118 1.00 0.00 C ATOM 1085 CD2 TYR A 68 6.916 12.319 -4.680 1.00 0.00 C ATOM 1086 CE1 TYR A 68 5.920 11.512 -7.192 1.00 0.00 C ATOM 1087 CE2 TYR A 68 6.884 13.233 -5.749 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.392 12.832 -7.011 1.00 0.00 C ATOM 1089 OH TYR A 68 6.377 13.716 -8.047 1.00 0.00 O ATOM 0 H TYR A 68 7.116 8.502 -1.893 1.00 0.00 H new ATOM 0 HA TYR A 68 7.326 8.235 -4.702 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.551 9.522 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.718 10.542 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.603 9.593 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.297 12.629 -3.718 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.532 11.202 -8.151 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.236 14.244 -5.604 1.00 0.00 H new ATOM 0 HH TYR A 68 6.736 14.577 -7.747 1.00 0.00 H new ATOM 1099 N SER A 69 9.631 10.224 -3.383 1.00 0.00 N ATOM 1100 CA SER A 69 10.885 10.937 -3.681 1.00 0.00 C ATOM 1101 C SER A 69 12.162 10.144 -3.343 1.00 0.00 C ATOM 1102 O SER A 69 13.241 10.519 -3.799 1.00 0.00 O ATOM 1103 CB SER A 69 10.893 12.274 -2.931 1.00 0.00 C ATOM 1104 OG SER A 69 11.017 12.091 -1.533 1.00 0.00 O ATOM 0 H SER A 69 9.338 10.296 -2.409 1.00 0.00 H new ATOM 0 HA SER A 69 10.905 11.087 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.718 12.888 -3.292 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.973 12.817 -3.146 1.00 0.00 H new ATOM 0 HG SER A 69 11.356 12.914 -1.124 1.00 0.00 H new ATOM 1110 N SER A 70 12.051 9.073 -2.541 1.00 0.00 N ATOM 1111 CA SER A 70 13.107 8.181 -2.010 1.00 0.00 C ATOM 1112 C SER A 70 13.853 8.744 -0.780 1.00 0.00 C ATOM 1113 O SER A 70 14.597 8.008 -0.124 1.00 0.00 O ATOM 1114 CB SER A 70 14.089 7.683 -3.093 1.00 0.00 C ATOM 1115 OG SER A 70 15.010 8.673 -3.508 1.00 0.00 O ATOM 0 H SER A 70 11.132 8.777 -2.213 1.00 0.00 H new ATOM 0 HA SER A 70 12.558 7.309 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.638 6.823 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.522 7.338 -3.958 1.00 0.00 H new ATOM 0 HG SER A 70 14.582 9.554 -3.471 1.00 0.00 H new ATOM 1121 N TRP A 71 13.642 10.021 -0.419 1.00 0.00 N ATOM 1122 CA TRP A 71 14.250 10.628 0.769 1.00 0.00 C ATOM 1123 C TRP A 71 13.667 10.026 2.072 1.00 0.00 C ATOM 1124 O TRP A 71 12.440 9.942 2.189 1.00 0.00 O ATOM 1125 CB TRP A 71 14.063 12.148 0.723 1.00 0.00 C ATOM 1126 CG TRP A 71 14.695 12.878 1.869 1.00 0.00 C ATOM 1127 CD1 TRP A 71 14.038 13.360 2.942 1.00 0.00 C ATOM 1128 CD2 TRP A 71 16.109 13.159 2.118 1.00 0.00 C ATOM 1129 NE1 TRP A 71 14.928 13.978 3.794 1.00 0.00 N ATOM 1130 CE2 TRP A 71 16.225 13.861 3.354 1.00 0.00 C ATOM 1131 CE3 TRP A 71 17.313 12.835 1.461 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 17.461 14.244 3.895 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 18.563 13.212 1.988 1.00 0.00 C ATOM 1134 CH2 TRP A 71 18.639 13.915 3.204 1.00 0.00 C ATOM 0 H TRP A 71 13.044 10.659 -0.945 1.00 0.00 H new ATOM 0 HA TRP A 71 15.317 10.407 0.768 1.00 0.00 H new ATOM 0 HB2 TRP A 71 14.481 12.527 -0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.996 12.372 0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 71 12.974 13.275 3.109 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.657 14.464 4.649 1.00 0.00 H new ATOM 0 HE3 TRP A 71 17.276 12.285 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 17.506 14.784 4.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 19.468 12.960 1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 71 19.600 14.201 3.605 1.00 0.00 H new ATOM 1145 N PRO A 72 14.499 9.621 3.059 1.00 0.00 N ATOM 1146 CA PRO A 72 14.048 8.847 4.219 1.00 0.00 C ATOM 1147 C PRO A 72 13.278 9.651 5.276 1.00 0.00 C ATOM 1148 O PRO A 72 12.356 9.100 5.880 1.00 0.00 O ATOM 1149 CB PRO A 72 15.325 8.260 4.837 1.00 0.00 C ATOM 1150 CG PRO A 72 16.427 9.226 4.406 1.00 0.00 C ATOM 1151 CD PRO A 72 15.956 9.660 3.023 1.00 0.00 C ATOM 0 HA PRO A 72 13.333 8.096 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.251 8.199 5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.516 7.250 4.474 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.517 10.071 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 72 17.402 8.740 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.313 10.663 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 72 16.344 8.994 2.253 1.00 0.00 H new ATOM 1159 N THR A 73 13.648 10.919 5.521 1.00 0.00 N ATOM 1160 CA THR A 73 13.138 11.712 6.657 1.00 0.00 C ATOM 1161 C THR A 73 12.879 13.159 6.255 1.00 0.00 C ATOM 1162 O THR A 73 13.765 14.011 6.342 1.00 0.00 O ATOM 1163 CB THR A 73 14.097 11.637 7.864 1.00 0.00 C ATOM 1164 OG1 THR A 73 15.410 11.942 7.448 1.00 0.00 O ATOM 1165 CG2 THR A 73 14.108 10.256 8.528 1.00 0.00 C ATOM 0 H THR A 73 14.312 11.427 4.936 1.00 0.00 H new ATOM 0 HA THR A 73 12.185 11.277 6.958 1.00 0.00 H new ATOM 0 HB THR A 73 13.737 12.360 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.402 12.767 6.919 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.800 10.263 9.370 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.106 10.015 8.883 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.426 9.506 7.803 1.00 0.00 H new ATOM 1173 N PHE A 74 11.648 13.429 5.814 1.00 0.00 N ATOM 1174 CA PHE A 74 11.141 14.767 5.476 1.00 0.00 C ATOM 1175 C PHE A 74 11.184 15.702 6.714 1.00 0.00 C ATOM 1176 O PHE A 74 11.157 15.188 7.842 1.00 0.00 O ATOM 1177 CB PHE A 74 9.698 14.619 4.951 1.00 0.00 C ATOM 1178 CG PHE A 74 9.521 14.155 3.509 1.00 0.00 C ATOM 1179 CD1 PHE A 74 10.131 12.980 3.019 1.00 0.00 C ATOM 1180 CD2 PHE A 74 8.685 14.899 2.654 1.00 0.00 C ATOM 1181 CE1 PHE A 74 9.948 12.589 1.680 1.00 0.00 C ATOM 1182 CE2 PHE A 74 8.476 14.488 1.326 1.00 0.00 C ATOM 1183 CZ PHE A 74 9.110 13.336 0.838 1.00 0.00 C ATOM 0 H PHE A 74 10.950 12.698 5.677 1.00 0.00 H new ATOM 0 HA PHE A 74 11.770 15.218 4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.174 13.915 5.598 1.00 0.00 H new ATOM 0 HB3 PHE A 74 9.200 15.582 5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 74 10.742 12.378 3.676 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.201 15.792 3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.453 11.713 1.300 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.826 15.060 0.680 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.953 13.024 -0.184 1.00 0.00 H new ATOM 1193 N PRO A 75 11.182 17.052 6.570 1.00 0.00 N ATOM 1194 CA PRO A 75 11.107 17.872 5.348 1.00 0.00 C ATOM 1195 C PRO A 75 12.239 17.681 4.329 1.00 0.00 C ATOM 1196 O PRO A 75 13.311 17.184 4.670 1.00 0.00 O ATOM 1197 CB PRO A 75 11.126 19.327 5.847 1.00 0.00 C ATOM 1198 CG PRO A 75 10.491 19.241 7.226 1.00 0.00 C ATOM 1199 CD PRO A 75 11.065 17.926 7.737 1.00 0.00 C ATOM 0 HA PRO A 75 10.212 17.576 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.141 19.720 5.897 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.562 19.985 5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.768 20.084 7.859 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.402 19.223 7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.037 18.081 8.206 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.414 17.484 8.491 1.00 0.00 H new ATOM 1207 N GLN A 76 12.009 18.122 3.083 1.00 0.00 N ATOM 1208 CA GLN A 76 12.959 18.025 1.960 1.00 0.00 C ATOM 1209 C GLN A 76 12.540 18.885 0.759 1.00 0.00 C ATOM 1210 O GLN A 76 11.347 19.098 0.525 1.00 0.00 O ATOM 1211 CB GLN A 76 13.203 16.552 1.541 1.00 0.00 C ATOM 1212 CG GLN A 76 11.939 15.721 1.232 1.00 0.00 C ATOM 1213 CD GLN A 76 11.613 15.587 -0.255 1.00 0.00 C ATOM 1214 OE1 GLN A 76 11.802 14.542 -0.863 1.00 0.00 O ATOM 1215 NE2 GLN A 76 11.100 16.612 -0.899 1.00 0.00 N ATOM 0 H GLN A 76 11.131 18.570 2.819 1.00 0.00 H new ATOM 0 HA GLN A 76 13.905 18.428 2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.843 16.547 0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.756 16.055 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.064 14.724 1.654 1.00 0.00 H new ATOM 0 HG3 GLN A 76 11.088 16.177 1.737 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.935 17.491 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.867 16.528 -1.888 1.00 0.00 H new ATOM 1224 N LEU A 77 13.519 19.324 -0.040 1.00 0.00 N ATOM 1225 CA LEU A 77 13.317 20.016 -1.318 1.00 0.00 C ATOM 1226 C LEU A 77 13.341 19.026 -2.497 1.00 0.00 C ATOM 1227 O LEU A 77 14.059 18.026 -2.484 1.00 0.00 O ATOM 1228 CB LEU A 77 14.360 21.152 -1.431 1.00 0.00 C ATOM 1229 CG LEU A 77 14.196 22.057 -2.676 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.567 23.507 -2.353 1.00 0.00 C ATOM 1231 CD2 LEU A 77 15.080 21.619 -3.852 1.00 0.00 C ATOM 0 H LEU A 77 14.505 19.204 0.192 1.00 0.00 H new ATOM 0 HA LEU A 77 12.327 20.470 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.300 21.772 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.357 20.712 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 77 13.147 21.970 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.443 24.122 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.918 23.881 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.605 23.552 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.922 22.291 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.127 21.653 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.819 20.602 -4.144 1.00 0.00 H new ATOM 1243 N TYR A 78 12.545 19.328 -3.525 1.00 0.00 N ATOM 1244 CA TYR A 78 12.280 18.504 -4.707 1.00 0.00 C ATOM 1245 C TYR A 78 12.257 19.372 -5.982 1.00 0.00 C ATOM 1246 O TYR A 78 11.708 20.479 -5.976 1.00 0.00 O ATOM 1247 CB TYR A 78 10.917 17.835 -4.477 1.00 0.00 C ATOM 1248 CG TYR A 78 10.597 16.639 -5.348 1.00 0.00 C ATOM 1249 CD1 TYR A 78 11.254 15.416 -5.122 1.00 0.00 C ATOM 1250 CD2 TYR A 78 9.586 16.717 -6.323 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.948 14.287 -5.904 1.00 0.00 C ATOM 1252 CE2 TYR A 78 9.247 15.583 -7.085 1.00 0.00 C ATOM 1253 CZ TYR A 78 9.938 14.366 -6.885 1.00 0.00 C ATOM 1254 OH TYR A 78 9.614 13.260 -7.605 1.00 0.00 O ATOM 0 H TYR A 78 12.036 20.211 -3.556 1.00 0.00 H new ATOM 0 HA TYR A 78 13.061 17.757 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.862 17.522 -3.434 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.139 18.584 -4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.998 15.343 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.068 17.650 -6.488 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.485 13.362 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.460 15.643 -7.822 1.00 0.00 H new ATOM 0 HH TYR A 78 8.684 13.011 -7.422 1.00 0.00 H new ATOM 1264 N ILE A 79 12.845 18.888 -7.077 1.00 0.00 N ATOM 1265 CA ILE A 79 13.066 19.637 -8.327 1.00 0.00 C ATOM 1266 C ILE A 79 12.890 18.744 -9.559 1.00 0.00 C ATOM 1267 O ILE A 79 13.515 17.695 -9.662 1.00 0.00 O ATOM 1268 CB ILE A 79 14.470 20.300 -8.358 1.00 0.00 C ATOM 1269 CG1 ILE A 79 15.598 19.426 -7.759 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.381 21.667 -7.666 1.00 0.00 C ATOM 1271 CD1 ILE A 79 17.002 19.995 -7.992 1.00 0.00 C ATOM 0 H ILE A 79 13.195 17.931 -7.125 1.00 0.00 H new ATOM 0 HA ILE A 79 12.310 20.422 -8.355 1.00 0.00 H new ATOM 0 HB ILE A 79 14.754 20.423 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.432 19.317 -6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.543 18.428 -8.193 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.360 22.146 -7.679 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.662 22.295 -8.192 1.00 0.00 H new ATOM 0 HG23 ILE A 79 14.057 21.532 -6.634 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.742 19.331 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 79 17.188 20.078 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.076 20.981 -7.534 1.00 0.00 H new ATOM 1283 N ASP A 80 12.045 19.178 -10.502 1.00 0.00 N ATOM 1284 CA ASP A 80 11.869 18.576 -11.840 1.00 0.00 C ATOM 1285 C ASP A 80 11.600 17.042 -11.852 1.00 0.00 C ATOM 1286 O ASP A 80 11.862 16.362 -12.847 1.00 0.00 O ATOM 1287 CB ASP A 80 13.057 19.002 -12.727 1.00 0.00 C ATOM 1288 CG ASP A 80 12.822 18.760 -14.230 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.736 19.126 -14.743 1.00 0.00 O ATOM 1290 OD2 ASP A 80 13.752 18.250 -14.905 1.00 0.00 O ATOM 0 H ASP A 80 11.441 19.987 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 80 10.941 18.966 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.259 20.061 -12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.947 18.456 -12.414 1.00 0.00 H new ATOM 1295 N GLY A 81 11.086 16.482 -10.742 1.00 0.00 N ATOM 1296 CA GLY A 81 10.818 15.045 -10.573 1.00 0.00 C ATOM 1297 C GLY A 81 11.910 14.255 -9.833 1.00 0.00 C ATOM 1298 O GLY A 81 11.889 13.024 -9.883 1.00 0.00 O ATOM 0 H GLY A 81 10.840 17.031 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.879 14.929 -10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.676 14.601 -11.558 1.00 0.00 H new ATOM 1302 N GLU A 82 12.851 14.921 -9.154 1.00 0.00 N ATOM 1303 CA GLU A 82 13.901 14.301 -8.336 1.00 0.00 C ATOM 1304 C GLU A 82 14.126 15.087 -7.026 1.00 0.00 C ATOM 1305 O GLU A 82 13.914 16.300 -6.969 1.00 0.00 O ATOM 1306 CB GLU A 82 15.189 14.203 -9.175 1.00 0.00 C ATOM 1307 CG GLU A 82 16.277 13.347 -8.515 1.00 0.00 C ATOM 1308 CD GLU A 82 17.439 13.085 -9.485 1.00 0.00 C ATOM 1309 OE1 GLU A 82 18.358 13.934 -9.584 1.00 0.00 O ATOM 1310 OE2 GLU A 82 17.446 12.022 -10.152 1.00 0.00 O ATOM 0 H GLU A 82 12.905 15.940 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 82 13.592 13.298 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.948 13.783 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.580 15.206 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.650 13.851 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.850 12.398 -8.189 1.00 0.00 H new ATOM 1317 N PHE A 83 14.542 14.409 -5.950 1.00 0.00 N ATOM 1318 CA PHE A 83 14.803 15.060 -4.665 1.00 0.00 C ATOM 1319 C PHE A 83 16.189 15.734 -4.631 1.00 0.00 C ATOM 1320 O PHE A 83 17.139 15.280 -5.277 1.00 0.00 O ATOM 1321 CB PHE A 83 14.592 14.062 -3.516 1.00 0.00 C ATOM 1322 CG PHE A 83 15.823 13.260 -3.164 1.00 0.00 C ATOM 1323 CD1 PHE A 83 16.180 12.122 -3.909 1.00 0.00 C ATOM 1324 CD2 PHE A 83 16.658 13.711 -2.128 1.00 0.00 C ATOM 1325 CE1 PHE A 83 17.383 11.449 -3.629 1.00 0.00 C ATOM 1326 CE2 PHE A 83 17.872 13.060 -1.867 1.00 0.00 C ATOM 1327 CZ PHE A 83 18.235 11.925 -2.615 1.00 0.00 C ATOM 0 H PHE A 83 14.706 13.402 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 83 14.085 15.869 -4.532 1.00 0.00 H new ATOM 0 HB2 PHE A 83 14.261 14.607 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.789 13.376 -3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.531 11.765 -4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 83 16.364 14.562 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.653 10.568 -4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 83 18.528 13.429 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 83 19.167 11.419 -2.411 1.00 0.00 H new ATOM 1337 N PHE A 84 16.304 16.815 -3.852 1.00 0.00 N ATOM 1338 CA PHE A 84 17.566 17.503 -3.581 1.00 0.00 C ATOM 1339 C PHE A 84 18.176 17.062 -2.238 1.00 0.00 C ATOM 1340 O PHE A 84 19.362 16.738 -2.170 1.00 0.00 O ATOM 1341 CB PHE A 84 17.306 19.014 -3.603 1.00 0.00 C ATOM 1342 CG PHE A 84 18.564 19.846 -3.475 1.00 0.00 C ATOM 1343 CD1 PHE A 84 19.048 20.213 -2.204 1.00 0.00 C ATOM 1344 CD2 PHE A 84 19.275 20.218 -4.631 1.00 0.00 C ATOM 1345 CE1 PHE A 84 20.255 20.925 -2.089 1.00 0.00 C ATOM 1346 CE2 PHE A 84 20.471 20.942 -4.512 1.00 0.00 C ATOM 1347 CZ PHE A 84 20.966 21.285 -3.246 1.00 0.00 C ATOM 0 H PHE A 84 15.505 17.243 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 84 18.293 17.242 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 84 16.801 19.274 -4.533 1.00 0.00 H new ATOM 0 HB3 PHE A 84 16.627 19.269 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 84 18.492 19.947 -1.317 1.00 0.00 H new ATOM 0 HD2 PHE A 84 18.901 19.947 -5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 84 20.634 21.194 -1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 84 21.012 21.236 -5.399 1.00 0.00 H new ATOM 0 HZ PHE A 84 21.896 21.827 -3.160 1.00 0.00 H new ATOM 1357 N GLY A 85 17.354 17.033 -1.179 1.00 0.00 N ATOM 1358 CA GLY A 85 17.744 16.663 0.188 1.00 0.00 C ATOM 1359 C GLY A 85 16.978 17.445 1.255 1.00 0.00 C ATOM 1360 O GLY A 85 16.041 18.184 0.943 1.00 0.00 O ATOM 0 H GLY A 85 16.366 17.275 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.573 15.596 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 85 18.813 16.835 0.315 1.00 0.00 H new ATOM 1364 N GLY A 86 17.382 17.279 2.518 1.00 0.00 N ATOM 1365 CA GLY A 86 16.766 17.936 3.681 1.00 0.00 C ATOM 1366 C GLY A 86 16.951 19.455 3.694 1.00 0.00 C ATOM 1367 O GLY A 86 17.791 20.004 2.977 1.00 0.00 O ATOM 0 H GLY A 86 18.162 16.672 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.700 17.708 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.193 17.518 4.593 1.00 0.00 H new ATOM 1371 N CYS A 87 16.166 20.156 4.515 1.00 0.00 N ATOM 1372 CA CYS A 87 16.164 21.627 4.541 1.00 0.00 C ATOM 1373 C CYS A 87 17.487 22.218 5.060 1.00 0.00 C ATOM 1374 O CYS A 87 18.017 23.144 4.451 1.00 0.00 O ATOM 1375 CB CYS A 87 14.941 22.111 5.335 1.00 0.00 C ATOM 1376 SG CYS A 87 13.436 21.682 4.409 1.00 0.00 S ATOM 0 H CYS A 87 15.518 19.728 5.176 1.00 0.00 H new ATOM 0 HA CYS A 87 16.085 21.995 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.923 21.647 6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 87 14.994 23.188 5.491 1.00 0.00 H new ATOM 0 HG CYS A 87 13.378 20.393 4.248 1.00 0.00 H new ATOM 1382 N ASP A 88 18.079 21.648 6.110 1.00 0.00 N ATOM 1383 CA ASP A 88 19.404 22.062 6.606 1.00 0.00 C ATOM 1384 C ASP A 88 20.485 21.888 5.525 1.00 0.00 C ATOM 1385 O ASP A 88 21.268 22.804 5.271 1.00 0.00 O ATOM 1386 CB ASP A 88 19.745 21.250 7.862 1.00 0.00 C ATOM 1387 CG ASP A 88 21.174 21.520 8.363 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.454 22.647 8.834 1.00 0.00 O ATOM 1389 OD2 ASP A 88 22.013 20.589 8.291 1.00 0.00 O ATOM 0 H ASP A 88 17.659 20.887 6.644 1.00 0.00 H new ATOM 0 HA ASP A 88 19.374 23.122 6.859 1.00 0.00 H new ATOM 0 HB2 ASP A 88 19.034 21.492 8.652 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.633 20.187 7.646 1.00 0.00 H new ATOM 1394 N ILE A 89 20.466 20.753 4.813 1.00 0.00 N ATOM 1395 CA ILE A 89 21.364 20.495 3.668 1.00 0.00 C ATOM 1396 C ILE A 89 21.142 21.554 2.578 1.00 0.00 C ATOM 1397 O ILE A 89 22.110 22.097 2.054 1.00 0.00 O ATOM 1398 CB ILE A 89 21.175 19.048 3.143 1.00 0.00 C ATOM 1399 CG1 ILE A 89 21.593 18.029 4.233 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.980 18.812 1.846 1.00 0.00 C ATOM 1401 CD1 ILE A 89 21.241 16.576 3.893 1.00 0.00 C ATOM 0 H ILE A 89 19.827 19.983 5.012 1.00 0.00 H new ATOM 0 HA ILE A 89 22.401 20.577 3.993 1.00 0.00 H new ATOM 0 HB ILE A 89 20.120 18.906 2.909 1.00 0.00 H new ATOM 0 HG12 ILE A 89 22.669 18.104 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 89 21.111 18.299 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 89 21.826 17.789 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 89 21.642 19.507 1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.040 18.974 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 89 21.565 15.924 4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 89 20.163 16.484 3.762 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.744 16.286 2.971 1.00 0.00 H new ATOM 1413 N THR A 90 19.881 21.908 2.301 1.00 0.00 N ATOM 1414 CA THR A 90 19.487 22.952 1.337 1.00 0.00 C ATOM 1415 C THR A 90 19.999 24.329 1.759 1.00 0.00 C ATOM 1416 O THR A 90 20.538 25.042 0.920 1.00 0.00 O ATOM 1417 CB THR A 90 17.968 22.962 1.146 1.00 0.00 C ATOM 1418 OG1 THR A 90 17.538 21.693 0.705 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.520 23.976 0.095 1.00 0.00 C ATOM 0 H THR A 90 19.081 21.465 2.753 1.00 0.00 H new ATOM 0 HA THR A 90 19.951 22.715 0.380 1.00 0.00 H new ATOM 0 HB THR A 90 17.534 23.229 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.600 21.052 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.435 23.944 -0.003 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.827 24.976 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.978 23.733 -0.864 1.00 0.00 H new ATOM 1427 N VAL A 91 19.899 24.684 3.042 1.00 0.00 N ATOM 1428 CA VAL A 91 20.452 25.939 3.584 1.00 0.00 C ATOM 1429 C VAL A 91 21.976 26.013 3.382 1.00 0.00 C ATOM 1430 O VAL A 91 22.480 27.040 2.927 1.00 0.00 O ATOM 1431 CB VAL A 91 20.075 26.135 5.077 1.00 0.00 C ATOM 1432 CG1 VAL A 91 20.807 27.321 5.731 1.00 0.00 C ATOM 1433 CG2 VAL A 91 18.564 26.386 5.235 1.00 0.00 C ATOM 0 H VAL A 91 19.430 24.109 3.742 1.00 0.00 H new ATOM 0 HA VAL A 91 20.001 26.758 3.024 1.00 0.00 H new ATOM 0 HB VAL A 91 20.376 25.212 5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 91 20.502 27.407 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.883 27.157 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.555 28.240 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.326 26.520 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.285 27.283 4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.011 25.532 4.844 1.00 0.00 H new ATOM 1443 N GLU A 92 22.720 24.938 3.670 1.00 0.00 N ATOM 1444 CA GLU A 92 24.176 24.895 3.462 1.00 0.00 C ATOM 1445 C GLU A 92 24.566 24.837 1.970 1.00 0.00 C ATOM 1446 O GLU A 92 25.577 25.417 1.565 1.00 0.00 O ATOM 1447 CB GLU A 92 24.783 23.712 4.234 1.00 0.00 C ATOM 1448 CG GLU A 92 24.630 23.820 5.761 1.00 0.00 C ATOM 1449 CD GLU A 92 25.310 25.069 6.346 1.00 0.00 C ATOM 1450 OE1 GLU A 92 26.563 25.134 6.348 1.00 0.00 O ATOM 1451 OE2 GLU A 92 24.598 25.980 6.829 1.00 0.00 O ATOM 0 H GLU A 92 22.333 24.075 4.053 1.00 0.00 H new ATOM 0 HA GLU A 92 24.586 25.828 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.311 22.790 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.842 23.636 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.570 23.838 6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 92 25.054 22.930 6.227 1.00 0.00 H new ATOM 1458 N ALA A 93 23.757 24.194 1.125 1.00 0.00 N ATOM 1459 CA ALA A 93 23.946 24.156 -0.322 1.00 0.00 C ATOM 1460 C ALA A 93 23.744 25.526 -0.984 1.00 0.00 C ATOM 1461 O ALA A 93 24.477 25.860 -1.913 1.00 0.00 O ATOM 1462 CB ALA A 93 22.988 23.119 -0.903 1.00 0.00 C ATOM 0 H ALA A 93 22.936 23.675 1.437 1.00 0.00 H new ATOM 0 HA ALA A 93 24.979 23.878 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 93 23.113 23.074 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 93 23.205 22.142 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.961 23.400 -0.667 1.00 0.00 H new ATOM 1468 N TYR A 94 22.809 26.342 -0.493 1.00 0.00 N ATOM 1469 CA TYR A 94 22.649 27.741 -0.904 1.00 0.00 C ATOM 1470 C TYR A 94 23.879 28.592 -0.548 1.00 0.00 C ATOM 1471 O TYR A 94 24.370 29.344 -1.391 1.00 0.00 O ATOM 1472 CB TYR A 94 21.384 28.302 -0.246 1.00 0.00 C ATOM 1473 CG TYR A 94 21.185 29.792 -0.450 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.769 30.285 -1.703 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.428 30.686 0.613 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.563 31.668 -1.884 1.00 0.00 C ATOM 1477 CE2 TYR A 94 21.232 32.068 0.433 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.790 32.560 -0.814 1.00 0.00 C ATOM 1479 OH TYR A 94 20.583 33.895 -0.977 1.00 0.00 O ATOM 0 H TYR A 94 22.132 26.047 0.211 1.00 0.00 H new ATOM 0 HA TYR A 94 22.553 27.780 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.517 27.773 -0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.422 28.095 0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.608 29.603 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.765 30.309 1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.232 32.044 -2.841 1.00 0.00 H new ATOM 0 HE2 TYR A 94 21.420 32.751 1.248 1.00 0.00 H new ATOM 0 HH TYR A 94 20.786 34.362 -0.140 1.00 0.00 H new ATOM 1489 N LYS A 95 24.433 28.420 0.662 1.00 0.00 N ATOM 1490 CA LYS A 95 25.703 29.054 1.061 1.00 0.00 C ATOM 1491 C LYS A 95 26.892 28.572 0.201 1.00 0.00 C ATOM 1492 O LYS A 95 27.815 29.338 -0.077 1.00 0.00 O ATOM 1493 CB LYS A 95 25.980 28.765 2.547 1.00 0.00 C ATOM 1494 CG LYS A 95 24.971 29.409 3.509 1.00 0.00 C ATOM 1495 CD LYS A 95 25.251 28.917 4.935 1.00 0.00 C ATOM 1496 CE LYS A 95 24.167 29.373 5.917 1.00 0.00 C ATOM 1497 NZ LYS A 95 24.369 28.749 7.254 1.00 0.00 N ATOM 0 H LYS A 95 24.017 27.840 1.390 1.00 0.00 H new ATOM 0 HA LYS A 95 25.601 30.127 0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.977 27.686 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 95 26.980 29.120 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 95 25.049 30.495 3.464 1.00 0.00 H new ATOM 0 HG3 LYS A 95 23.954 29.150 3.215 1.00 0.00 H new ATOM 0 HD2 LYS A 95 25.311 27.829 4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.221 29.290 5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 95 24.188 30.459 6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 95 23.184 29.105 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.586 29.017 7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 24.394 27.714 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 25.268 29.079 7.659 1.00 0.00 H new ATOM 1511 N SER A 96 26.859 27.312 -0.242 1.00 0.00 N ATOM 1512 CA SER A 96 27.928 26.680 -1.036 1.00 0.00 C ATOM 1513 C SER A 96 27.790 26.914 -2.557 1.00 0.00 C ATOM 1514 O SER A 96 28.718 26.611 -3.312 1.00 0.00 O ATOM 1515 CB SER A 96 27.946 25.169 -0.740 1.00 0.00 C ATOM 1516 OG SER A 96 28.055 24.895 0.652 1.00 0.00 O ATOM 0 H SER A 96 26.075 26.686 -0.058 1.00 0.00 H new ATOM 0 HA SER A 96 28.866 27.149 -0.740 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.035 24.714 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.782 24.707 -1.266 1.00 0.00 H new ATOM 0 HG SER A 96 27.192 25.058 1.086 1.00 0.00 H new ATOM 1522 N GLY A 97 26.639 27.429 -3.026 1.00 0.00 N ATOM 1523 CA GLY A 97 26.331 27.687 -4.445 1.00 0.00 C ATOM 1524 C GLY A 97 25.764 26.480 -5.205 1.00 0.00 C ATOM 1525 O GLY A 97 25.444 26.588 -6.390 1.00 0.00 O ATOM 0 H GLY A 97 25.871 27.686 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.615 28.506 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.240 28.021 -4.946 1.00 0.00 H new ATOM 1529 N GLU A 98 25.608 25.337 -4.534 1.00 0.00 N ATOM 1530 CA GLU A 98 25.178 24.068 -5.137 1.00 0.00 C ATOM 1531 C GLU A 98 23.671 24.072 -5.426 1.00 0.00 C ATOM 1532 O GLU A 98 23.235 23.579 -6.469 1.00 0.00 O ATOM 1533 CB GLU A 98 25.550 22.892 -4.218 1.00 0.00 C ATOM 1534 CG GLU A 98 27.046 22.850 -3.884 1.00 0.00 C ATOM 1535 CD GLU A 98 27.408 21.552 -3.150 1.00 0.00 C ATOM 1536 OE1 GLU A 98 27.331 21.518 -1.900 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.778 20.558 -3.819 1.00 0.00 O ATOM 0 H GLU A 98 25.781 25.264 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 98 25.697 23.950 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.978 22.964 -3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.263 21.956 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.630 22.928 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.308 23.708 -3.265 1.00 0.00 H new ATOM 1544 N LEU A 99 22.867 24.703 -4.554 1.00 0.00 N ATOM 1545 CA LEU A 99 21.428 24.865 -4.786 1.00 0.00 C ATOM 1546 C LEU A 99 21.173 25.744 -6.014 1.00 0.00 C ATOM 1547 O LEU A 99 20.342 25.384 -6.842 1.00 0.00 O ATOM 1548 CB LEU A 99 20.756 25.436 -3.523 1.00 0.00 C ATOM 1549 CG LEU A 99 19.216 25.540 -3.638 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.547 24.161 -3.763 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.676 26.287 -2.416 1.00 0.00 C ATOM 0 H LEU A 99 23.195 25.110 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 99 20.986 23.890 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 99 21.007 24.805 -2.670 1.00 0.00 H new ATOM 0 HB3 LEU A 99 21.165 26.425 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 99 18.977 26.088 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.467 24.286 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.919 23.656 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.780 23.562 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.591 26.366 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.941 25.742 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 99 19.110 27.286 -2.379 1.00 0.00 H new ATOM 1563 N GLN A 100 21.904 26.855 -6.168 1.00 0.00 N ATOM 1564 CA GLN A 100 21.806 27.732 -7.341 1.00 0.00 C ATOM 1565 C GLN A 100 22.050 26.936 -8.631 1.00 0.00 C ATOM 1566 O GLN A 100 21.229 27.009 -9.541 1.00 0.00 O ATOM 1567 CB GLN A 100 22.799 28.903 -7.186 1.00 0.00 C ATOM 1568 CG GLN A 100 22.813 29.864 -8.389 1.00 0.00 C ATOM 1569 CD GLN A 100 23.832 30.994 -8.211 1.00 0.00 C ATOM 1570 OE1 GLN A 100 24.877 31.033 -8.853 1.00 0.00 O ATOM 1571 NE2 GLN A 100 23.594 31.948 -7.330 1.00 0.00 N ATOM 0 H GLN A 100 22.584 27.173 -5.478 1.00 0.00 H new ATOM 0 HA GLN A 100 20.800 28.145 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 100 22.548 29.465 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 100 23.802 28.501 -7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.046 29.306 -9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.819 30.290 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.732 31.936 -6.785 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.272 32.698 -7.194 1.00 0.00 H new ATOM 1580 N GLU A 101 23.116 26.129 -8.683 1.00 0.00 N ATOM 1581 CA GLU A 101 23.446 25.303 -9.849 1.00 0.00 C ATOM 1582 C GLU A 101 22.306 24.330 -10.205 1.00 0.00 C ATOM 1583 O GLU A 101 21.898 24.248 -11.367 1.00 0.00 O ATOM 1584 CB GLU A 101 24.759 24.549 -9.570 1.00 0.00 C ATOM 1585 CG GLU A 101 25.353 23.851 -10.800 1.00 0.00 C ATOM 1586 CD GLU A 101 25.907 24.852 -11.825 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.977 25.452 -11.572 1.00 0.00 O ATOM 1588 OE2 GLU A 101 25.298 25.027 -12.908 1.00 0.00 O ATOM 0 H GLU A 101 23.777 26.030 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 101 23.576 25.952 -10.715 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.492 25.252 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.580 23.805 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 101 26.150 23.178 -10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.586 23.237 -11.272 1.00 0.00 H new ATOM 1595 N GLN A 102 21.760 23.604 -9.218 1.00 0.00 N ATOM 1596 CA GLN A 102 20.670 22.658 -9.459 1.00 0.00 C ATOM 1597 C GLN A 102 19.315 23.336 -9.727 1.00 0.00 C ATOM 1598 O GLN A 102 18.553 22.837 -10.552 1.00 0.00 O ATOM 1599 CB GLN A 102 20.562 21.643 -8.309 1.00 0.00 C ATOM 1600 CG GLN A 102 21.822 20.768 -8.125 1.00 0.00 C ATOM 1601 CD GLN A 102 22.225 19.949 -9.358 1.00 0.00 C ATOM 1602 OE1 GLN A 102 21.423 19.611 -10.222 1.00 0.00 O ATOM 1603 NE2 GLN A 102 23.489 19.604 -9.496 1.00 0.00 N ATOM 0 H GLN A 102 22.059 23.657 -8.244 1.00 0.00 H new ATOM 0 HA GLN A 102 20.926 22.128 -10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.366 22.180 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.705 20.995 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.656 21.412 -7.846 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.654 20.085 -7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.172 19.875 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.785 19.066 -10.310 1.00 0.00 H new ATOM 1612 N VAL A 103 19.009 24.471 -9.088 1.00 0.00 N ATOM 1613 CA VAL A 103 17.786 25.252 -9.358 1.00 0.00 C ATOM 1614 C VAL A 103 17.819 25.843 -10.771 1.00 0.00 C ATOM 1615 O VAL A 103 16.817 25.751 -11.474 1.00 0.00 O ATOM 1616 CB VAL A 103 17.553 26.354 -8.293 1.00 0.00 C ATOM 1617 CG1 VAL A 103 16.484 27.387 -8.698 1.00 0.00 C ATOM 1618 CG2 VAL A 103 17.096 25.715 -6.969 1.00 0.00 C ATOM 0 H VAL A 103 19.602 24.879 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 103 16.941 24.567 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 103 18.507 26.871 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.374 28.127 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.789 27.884 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.531 26.882 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.934 26.495 -6.225 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.166 25.169 -7.130 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.863 25.028 -6.613 1.00 0.00 H new ATOM 1628 N GLU A 104 18.957 26.380 -11.230 1.00 0.00 N ATOM 1629 CA GLU A 104 19.122 26.822 -12.618 1.00 0.00 C ATOM 1630 C GLU A 104 18.895 25.658 -13.599 1.00 0.00 C ATOM 1631 O GLU A 104 18.123 25.794 -14.550 1.00 0.00 O ATOM 1632 CB GLU A 104 20.518 27.430 -12.825 1.00 0.00 C ATOM 1633 CG GLU A 104 20.645 28.856 -12.267 1.00 0.00 C ATOM 1634 CD GLU A 104 19.835 29.873 -13.087 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.281 30.252 -14.197 1.00 0.00 O ATOM 1636 OE2 GLU A 104 18.760 30.316 -12.620 1.00 0.00 O ATOM 0 H GLU A 104 19.785 26.519 -10.651 1.00 0.00 H new ATOM 0 HA GLU A 104 18.373 27.587 -12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 104 21.260 26.792 -12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.748 27.442 -13.890 1.00 0.00 H new ATOM 0 HG2 GLU A 104 20.303 28.871 -11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 104 21.695 29.150 -12.261 1.00 0.00 H new ATOM 1643 N LYS A 105 19.482 24.484 -13.334 1.00 0.00 N ATOM 1644 CA LYS A 105 19.262 23.278 -14.142 1.00 0.00 C ATOM 1645 C LYS A 105 17.778 22.859 -14.162 1.00 0.00 C ATOM 1646 O LYS A 105 17.240 22.571 -15.232 1.00 0.00 O ATOM 1647 CB LYS A 105 20.189 22.163 -13.627 1.00 0.00 C ATOM 1648 CG LYS A 105 20.196 20.935 -14.553 1.00 0.00 C ATOM 1649 CD LYS A 105 21.159 19.860 -14.027 1.00 0.00 C ATOM 1650 CE LYS A 105 21.308 18.674 -14.996 1.00 0.00 C ATOM 1651 NZ LYS A 105 20.068 17.858 -15.111 1.00 0.00 N ATOM 0 H LYS A 105 20.123 24.344 -12.553 1.00 0.00 H new ATOM 0 HA LYS A 105 19.512 23.487 -15.182 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.203 22.551 -13.534 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.871 21.861 -12.629 1.00 0.00 H new ATOM 0 HG2 LYS A 105 19.189 20.523 -14.626 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.492 21.234 -15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.138 20.308 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.800 19.495 -13.065 1.00 0.00 H new ATOM 0 HE2 LYS A 105 21.582 19.050 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 105 22.126 18.037 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.228 17.075 -15.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 19.818 17.474 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 19.291 18.455 -15.460 1.00 0.00 H new ATOM 1665 N ALA A 106 17.090 22.881 -13.015 1.00 0.00 N ATOM 1666 CA ALA A 106 15.658 22.580 -12.907 1.00 0.00 C ATOM 1667 C ALA A 106 14.778 23.565 -13.699 1.00 0.00 C ATOM 1668 O ALA A 106 13.827 23.139 -14.355 1.00 0.00 O ATOM 1669 CB ALA A 106 15.277 22.551 -11.420 1.00 0.00 C ATOM 0 H ALA A 106 17.520 23.113 -12.120 1.00 0.00 H new ATOM 0 HA ALA A 106 15.473 21.604 -13.357 1.00 0.00 H new ATOM 0 HB1 ALA A 106 14.215 22.328 -11.321 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.858 21.782 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.488 23.522 -10.971 1.00 0.00 H new ATOM 1675 N MET A 107 15.117 24.862 -13.691 1.00 0.00 N ATOM 1676 CA MET A 107 14.420 25.905 -14.461 1.00 0.00 C ATOM 1677 C MET A 107 14.660 25.780 -15.975 1.00 0.00 C ATOM 1678 O MET A 107 13.731 26.016 -16.752 1.00 0.00 O ATOM 1679 CB MET A 107 14.830 27.303 -13.973 1.00 0.00 C ATOM 1680 CG MET A 107 14.322 27.622 -12.562 1.00 0.00 C ATOM 1681 SD MET A 107 12.523 27.622 -12.350 1.00 0.00 S ATOM 1682 CE MET A 107 12.479 28.237 -10.647 1.00 0.00 C ATOM 0 H MET A 107 15.896 25.223 -13.140 1.00 0.00 H new ATOM 0 HA MET A 107 13.353 25.762 -14.290 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.917 27.382 -13.987 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.447 28.050 -14.668 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.750 26.897 -11.870 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.703 28.602 -12.273 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.449 28.246 -10.290 1.00 0.00 H new ATOM 0 HE2 MET A 107 13.078 27.587 -10.010 1.00 0.00 H new ATOM 0 HE3 MET A 107 12.883 29.249 -10.615 1.00 0.00 H new ATOM 1692 N CYS A 108 15.862 25.365 -16.397 1.00 0.00 N ATOM 1693 CA CYS A 108 16.151 25.017 -17.798 1.00 0.00 C ATOM 1694 C CYS A 108 15.373 23.762 -18.257 1.00 0.00 C ATOM 1695 O CYS A 108 14.897 23.717 -19.396 1.00 0.00 O ATOM 1696 CB CYS A 108 17.668 24.828 -17.978 1.00 0.00 C ATOM 1697 SG CYS A 108 18.555 26.378 -17.631 1.00 0.00 S ATOM 0 H CYS A 108 16.664 25.260 -15.776 1.00 0.00 H new ATOM 0 HA CYS A 108 15.814 25.838 -18.431 1.00 0.00 H new ATOM 0 HB2 CYS A 108 18.023 24.043 -17.311 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.881 24.502 -18.996 1.00 0.00 H new ATOM 0 HG CYS A 108 18.620 26.562 -16.346 1.00 0.00 H new ATOM 1703 N SER A 109 15.238 22.775 -17.359 1.00 0.00 N ATOM 1704 CA SER A 109 14.396 21.561 -17.466 1.00 0.00 C ATOM 1705 C SER A 109 14.903 20.582 -18.544 1.00 0.00 C ATOM 1706 O SER A 109 14.141 20.206 -19.467 1.00 0.00 O ATOM 1707 CB SER A 109 12.915 21.920 -17.661 1.00 0.00 C ATOM 1708 OG SER A 109 12.510 22.903 -16.723 1.00 0.00 O ATOM 1709 OXT SER A 109 16.078 20.158 -18.448 1.00 0.00 O ATOM 0 H SER A 109 15.747 22.800 -16.475 1.00 0.00 H new ATOM 0 HA SER A 109 14.480 21.034 -16.516 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.756 22.289 -18.674 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.301 21.027 -17.547 1.00 0.00 H new ATOM 0 HG SER A 109 13.166 22.952 -15.996 1.00 0.00 H new TER 1715 SER A 109