USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 931 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 22 TYR OH : rot -129:sc= 0.848 USER MOD Set 1.2: A 102 HIS : no HD1:sc= -1.53 X(o=0.099,f=0.31) USER MOD Set 1.3: A 105 SER OG : rot -89:sc= 0.781 USER MOD Set 2.1: A 82 GLN : amide:sc= 0.761 K(o=0.88,f=-0.6) USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.143 X(o=0.88,f=0.63) USER MOD Set 2.3: A 119 THR OG1 : rot -90:sc= 0.261 USER MOD Set 3.1: A 80 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 91 TYR OH : rot 180:sc= 0.62 USER MOD Set 4.1: A 64 MET CE :methyl 166:sc= -0.299 (180deg=-0.324) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.09 K(o=0.79,f=-0.57) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.07 K(o=2.3,f=-6.2!) USER MOD Set 5.2: A 40 SER OG : rot -134:sc= 1.21 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 1.2 (180deg=1.02) USER MOD Single : A 29 SER OG : rot -160:sc= 0.00145 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 1.45 (180deg=1.44) USER MOD Single : A 47 TYR OH : rot 160:sc= 1.2 USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.08) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -1.06! C(o=-1.1!,f=-3.7!) USER MOD Single : A 57 TYR OH : rot -2:sc= 0.104 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.181 (180deg=0.017) USER MOD Single : A 61 SER OG : rot 82:sc= 1.07 USER MOD Single : A 65 GLN : amide:sc= 0.432 X(o=0.43,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.558) USER MOD Single : A 69 CYS SG : rot -84:sc= 0.0131 USER MOD Single : A 71 CYS SG : rot 90:sc= -2.35 USER MOD Single : A 73 CYS SG : rot 141:sc= 2.01 USER MOD Single : A 81 HIS : no HE2:sc= 0.166 K(o=0.17,f=-2.1!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 84 GLN : amide:sc= -0.0143 K(o=-0.014,f=-3.8!) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.11) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= 2.4 (180deg=1.99) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -50:sc= 1.43 USER MOD Single : A 95 MET CE :methyl 174:sc= 0 (180deg=-0.031) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 106 THR OG1 : rot 20:sc= 0.153 USER MOD Single : A 108 LYS NZ :NH3+ 143:sc= 1.97 (180deg=-0.255) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -103:sc= 0.49 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0508 K(o=-0.051,f=-1.4!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.086 13.579 16.675 1.00 0.00 N ATOM 2 CA MET A 1 10.390 13.976 15.279 1.00 0.00 C ATOM 3 C MET A 1 9.536 13.148 14.312 1.00 0.00 C ATOM 4 O MET A 1 9.534 11.916 14.385 1.00 0.00 O ATOM 5 CB MET A 1 11.898 13.844 14.973 1.00 0.00 C ATOM 6 CG MET A 1 12.278 14.359 13.575 1.00 0.00 C ATOM 7 SD MET A 1 11.812 16.076 13.197 1.00 0.00 S ATOM 8 CE MET A 1 12.970 16.983 14.262 1.00 0.00 C ATOM 0 H1 MET A 1 10.666 14.141 17.330 1.00 0.00 H new ATOM 0 H2 MET A 1 9.079 13.747 16.872 1.00 0.00 H new ATOM 0 H3 MET A 1 10.300 12.569 16.803 1.00 0.00 H new ATOM 0 HA MET A 1 10.138 15.028 15.147 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.464 14.396 15.723 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.190 12.797 15.060 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.357 14.263 13.456 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.817 13.708 12.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.810 18.055 14.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.803 16.704 15.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.993 16.736 13.980 1.00 0.00 H new ATOM 20 N ALA A 2 8.788 13.812 13.420 1.00 0.00 N ATOM 21 CA ALA A 2 7.960 13.144 12.418 1.00 0.00 C ATOM 22 C ALA A 2 8.827 12.319 11.458 1.00 0.00 C ATOM 23 O ALA A 2 9.963 12.692 11.155 1.00 0.00 O ATOM 24 CB ALA A 2 7.147 14.187 11.641 1.00 0.00 C ATOM 0 H ALA A 2 8.743 14.830 13.377 1.00 0.00 H new ATOM 0 HA ALA A 2 7.277 12.463 12.925 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.531 13.686 10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.506 14.737 12.331 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.825 14.881 11.145 1.00 0.00 H new ATOM 30 N VAL A 3 8.277 11.211 10.957 1.00 0.00 N ATOM 31 CA VAL A 3 8.908 10.385 9.937 1.00 0.00 C ATOM 32 C VAL A 3 8.971 11.142 8.598 1.00 0.00 C ATOM 33 O VAL A 3 8.221 12.102 8.382 1.00 0.00 O ATOM 34 CB VAL A 3 8.144 9.047 9.827 1.00 0.00 C ATOM 35 CG1 VAL A 3 8.200 8.271 11.153 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.668 9.189 9.417 1.00 0.00 C ATOM 0 H VAL A 3 7.367 10.861 11.256 1.00 0.00 H new ATOM 0 HA VAL A 3 9.938 10.161 10.216 1.00 0.00 H new ATOM 0 HB VAL A 3 8.655 8.506 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.655 7.333 11.049 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.239 8.061 11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.746 8.869 11.944 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.209 8.202 9.364 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.142 9.795 10.155 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.606 9.671 8.441 1.00 0.00 H new ATOM 46 N ALA A 4 9.859 10.710 7.692 1.00 0.00 N ATOM 47 CA ALA A 4 9.859 11.194 6.313 1.00 0.00 C ATOM 48 C ALA A 4 8.598 10.684 5.594 1.00 0.00 C ATOM 49 O ALA A 4 7.847 9.865 6.130 1.00 0.00 O ATOM 50 CB ALA A 4 11.145 10.762 5.594 1.00 0.00 C ATOM 0 H ALA A 4 10.587 10.024 7.894 1.00 0.00 H new ATOM 0 HA ALA A 4 9.838 12.284 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.130 11.130 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.009 11.175 6.115 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.211 9.674 5.588 1.00 0.00 H new ATOM 56 N ASP A 5 8.369 11.137 4.363 1.00 0.00 N ATOM 57 CA ASP A 5 7.169 10.830 3.589 1.00 0.00 C ATOM 58 C ASP A 5 7.541 10.749 2.112 1.00 0.00 C ATOM 59 O ASP A 5 8.522 11.365 1.692 1.00 0.00 O ATOM 60 CB ASP A 5 6.119 11.926 3.818 1.00 0.00 C ATOM 61 CG ASP A 5 4.860 11.673 2.979 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.009 10.858 3.399 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.745 12.261 1.883 1.00 0.00 O ATOM 0 H ASP A 5 9.025 11.739 3.866 1.00 0.00 H new ATOM 0 HA ASP A 5 6.751 9.875 3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.853 11.964 4.874 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.541 12.897 3.561 1.00 0.00 H new ATOM 68 N LEU A 6 6.761 10.013 1.317 1.00 0.00 N ATOM 69 CA LEU A 6 6.985 9.820 -0.112 1.00 0.00 C ATOM 70 C LEU A 6 7.122 11.135 -0.893 1.00 0.00 C ATOM 71 O LEU A 6 7.831 11.166 -1.902 1.00 0.00 O ATOM 72 CB LEU A 6 5.826 9.006 -0.708 1.00 0.00 C ATOM 73 CG LEU A 6 5.749 7.510 -0.350 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.597 6.878 -1.138 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.046 6.754 -0.654 1.00 0.00 C ATOM 0 H LEU A 6 5.935 9.523 1.661 1.00 0.00 H new ATOM 0 HA LEU A 6 7.932 9.289 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.892 9.474 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.880 9.090 -1.793 1.00 0.00 H new ATOM 0 HG LEU A 6 5.584 7.436 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.529 5.817 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.662 7.371 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.780 6.995 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.929 5.706 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.270 6.828 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.864 7.190 -0.080 1.00 0.00 H new ATOM 87 N ALA A 7 6.459 12.212 -0.461 1.00 0.00 N ATOM 88 CA ALA A 7 6.557 13.519 -1.093 1.00 0.00 C ATOM 89 C ALA A 7 7.898 14.208 -0.800 1.00 0.00 C ATOM 90 O ALA A 7 8.316 15.080 -1.562 1.00 0.00 O ATOM 91 CB ALA A 7 5.402 14.408 -0.620 1.00 0.00 C ATOM 0 H ALA A 7 5.835 12.195 0.345 1.00 0.00 H new ATOM 0 HA ALA A 7 6.497 13.368 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.478 15.386 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.453 13.946 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.453 14.525 0.462 1.00 0.00 H new ATOM 97 N LEU A 8 8.560 13.845 0.305 1.00 0.00 N ATOM 98 CA LEU A 8 9.824 14.436 0.739 1.00 0.00 C ATOM 99 C LEU A 8 11.017 13.704 0.118 1.00 0.00 C ATOM 100 O LEU A 8 12.109 14.273 0.066 1.00 0.00 O ATOM 101 CB LEU A 8 9.937 14.415 2.277 1.00 0.00 C ATOM 102 CG LEU A 8 8.840 15.202 3.022 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.025 15.042 4.534 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.845 16.695 2.667 1.00 0.00 C ATOM 0 H LEU A 8 8.222 13.116 0.933 1.00 0.00 H new ATOM 0 HA LEU A 8 9.839 15.471 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.912 13.379 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.909 14.819 2.560 1.00 0.00 H new ATOM 0 HG LEU A 8 7.880 14.791 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.248 15.600 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.956 13.987 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.003 15.425 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.054 17.203 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.809 17.129 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.676 16.815 1.597 1.00 0.00 H new ATOM 116 N ILE A 9 10.831 12.465 -0.353 1.00 0.00 N ATOM 117 CA ILE A 9 11.843 11.740 -1.120 1.00 0.00 C ATOM 118 C ILE A 9 12.201 12.601 -2.350 1.00 0.00 C ATOM 119 O ILE A 9 11.272 13.046 -3.032 1.00 0.00 O ATOM 120 CB ILE A 9 11.313 10.339 -1.520 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.991 9.507 -0.256 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.348 9.590 -2.374 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.436 8.108 -0.537 1.00 0.00 C ATOM 0 H ILE A 9 9.970 11.938 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 9 12.741 11.572 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 9 10.404 10.476 -2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.898 9.410 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.269 10.055 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.956 8.609 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.554 10.160 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.270 9.468 -1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.240 7.598 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.509 8.192 -1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.164 7.537 -1.113 1.00 0.00 H new ATOM 135 N PRO A 10 13.495 12.843 -2.656 1.00 0.00 N ATOM 136 CA PRO A 10 13.919 13.502 -3.889 1.00 0.00 C ATOM 137 C PRO A 10 13.321 12.780 -5.100 1.00 0.00 C ATOM 138 O PRO A 10 13.674 11.633 -5.393 1.00 0.00 O ATOM 139 CB PRO A 10 15.453 13.512 -3.883 1.00 0.00 C ATOM 140 CG PRO A 10 15.805 13.353 -2.404 1.00 0.00 C ATOM 141 CD PRO A 10 14.656 12.517 -1.842 1.00 0.00 C ATOM 0 HA PRO A 10 13.561 14.529 -3.953 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.862 12.699 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.850 14.441 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.765 12.853 -2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.878 14.319 -1.904 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.884 11.453 -1.895 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.477 12.753 -0.793 1.00 0.00 H new ATOM 149 N ASP A 11 12.381 13.443 -5.771 1.00 0.00 N ATOM 150 CA ASP A 11 11.547 12.836 -6.805 1.00 0.00 C ATOM 151 C ASP A 11 12.332 12.540 -8.082 1.00 0.00 C ATOM 152 O ASP A 11 12.113 11.524 -8.745 1.00 0.00 O ATOM 153 CB ASP A 11 10.383 13.783 -7.102 1.00 0.00 C ATOM 154 CG ASP A 11 9.252 13.050 -7.818 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.528 12.293 -7.137 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.047 13.250 -9.033 1.00 0.00 O ATOM 0 H ASP A 11 12.175 14.429 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 11 11.178 11.878 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.012 14.212 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.732 14.612 -7.718 1.00 0.00 H new ATOM 161 N VAL A 12 13.293 13.410 -8.395 1.00 0.00 N ATOM 162 CA VAL A 12 14.172 13.324 -9.548 1.00 0.00 C ATOM 163 C VAL A 12 15.537 13.812 -9.073 1.00 0.00 C ATOM 164 O VAL A 12 15.624 14.836 -8.389 1.00 0.00 O ATOM 165 CB VAL A 12 13.655 14.225 -10.696 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.511 14.072 -11.963 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.198 13.948 -11.082 1.00 0.00 C ATOM 0 H VAL A 12 13.484 14.231 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 12 14.219 12.306 -9.933 1.00 0.00 H new ATOM 0 HB VAL A 12 13.725 15.239 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.119 14.719 -12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.541 14.353 -11.742 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.481 13.036 -12.299 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.903 14.615 -11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.099 12.913 -11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.554 14.118 -10.219 1.00 0.00 H new ATOM 177 N ASP A 13 16.597 13.098 -9.440 1.00 0.00 N ATOM 178 CA ASP A 13 17.970 13.551 -9.258 1.00 0.00 C ATOM 179 C ASP A 13 18.809 12.840 -10.311 1.00 0.00 C ATOM 180 O ASP A 13 19.016 11.629 -10.222 1.00 0.00 O ATOM 181 CB ASP A 13 18.492 13.274 -7.843 1.00 0.00 C ATOM 182 CG ASP A 13 19.970 13.672 -7.715 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.352 14.774 -8.166 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.751 12.891 -7.125 1.00 0.00 O ATOM 0 H ASP A 13 16.525 12.179 -9.877 1.00 0.00 H new ATOM 0 HA ASP A 13 18.027 14.633 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.898 13.829 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.375 12.216 -7.609 1.00 0.00 H new ATOM 189 N ILE A 14 19.214 13.570 -11.350 1.00 0.00 N ATOM 190 CA ILE A 14 19.897 13.016 -12.511 1.00 0.00 C ATOM 191 C ILE A 14 21.105 13.888 -12.860 1.00 0.00 C ATOM 192 O ILE A 14 21.128 15.096 -12.601 1.00 0.00 O ATOM 193 CB ILE A 14 18.932 12.831 -13.711 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.240 14.142 -14.160 1.00 0.00 C ATOM 195 CG2 ILE A 14 17.891 11.739 -13.398 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.484 14.009 -15.488 1.00 0.00 C ATOM 0 H ILE A 14 19.073 14.579 -11.406 1.00 0.00 H new ATOM 0 HA ILE A 14 20.259 12.018 -12.265 1.00 0.00 H new ATOM 0 HB ILE A 14 19.546 12.516 -14.554 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.543 14.460 -13.384 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.991 14.926 -14.255 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.221 11.621 -14.249 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.401 10.795 -13.203 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.314 12.028 -12.519 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.024 14.964 -15.742 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.180 13.721 -16.276 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.710 13.248 -15.391 1.00 0.00 H new ATOM 208 N ASP A 15 22.121 13.239 -13.419 1.00 0.00 N ATOM 209 CA ASP A 15 23.353 13.837 -13.927 1.00 0.00 C ATOM 210 C ASP A 15 23.077 14.661 -15.201 1.00 0.00 C ATOM 211 O ASP A 15 21.970 14.633 -15.749 1.00 0.00 O ATOM 212 CB ASP A 15 24.316 12.662 -14.157 1.00 0.00 C ATOM 213 CG ASP A 15 25.784 12.971 -14.477 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.192 14.153 -14.524 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.533 11.983 -14.643 1.00 0.00 O ATOM 0 H ASP A 15 22.107 12.226 -13.537 1.00 0.00 H new ATOM 0 HA ASP A 15 23.793 14.549 -13.228 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.296 12.037 -13.264 1.00 0.00 H new ATOM 0 HB3 ASP A 15 23.918 12.062 -14.975 1.00 0.00 H new ATOM 220 N SER A 16 24.086 15.391 -15.678 1.00 0.00 N ATOM 221 CA SER A 16 24.048 16.252 -16.857 1.00 0.00 C ATOM 222 C SER A 16 25.383 16.227 -17.630 1.00 0.00 C ATOM 223 O SER A 16 25.496 16.888 -18.665 1.00 0.00 O ATOM 224 CB SER A 16 23.733 17.698 -16.426 1.00 0.00 C ATOM 225 OG SER A 16 22.568 17.793 -15.617 1.00 0.00 O ATOM 0 H SER A 16 25.001 15.397 -15.226 1.00 0.00 H new ATOM 0 HA SER A 16 23.270 15.875 -17.521 1.00 0.00 H new ATOM 0 HB2 SER A 16 24.584 18.102 -15.877 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.604 18.316 -17.314 1.00 0.00 H new ATOM 0 HG SER A 16 22.416 18.729 -15.371 1.00 0.00 H new ATOM 231 N ASP A 17 26.407 15.507 -17.148 1.00 0.00 N ATOM 232 CA ASP A 17 27.773 15.584 -17.680 1.00 0.00 C ATOM 233 C ASP A 17 27.908 15.082 -19.126 1.00 0.00 C ATOM 234 O ASP A 17 28.782 15.549 -19.859 1.00 0.00 O ATOM 235 CB ASP A 17 28.715 14.784 -16.774 1.00 0.00 C ATOM 236 CG ASP A 17 30.166 14.838 -17.275 1.00 0.00 C ATOM 237 OD1 ASP A 17 30.816 15.902 -17.150 1.00 0.00 O ATOM 238 OD2 ASP A 17 30.676 13.800 -17.753 1.00 0.00 O ATOM 0 H ASP A 17 26.308 14.851 -16.373 1.00 0.00 H new ATOM 0 HA ASP A 17 28.040 16.641 -17.695 1.00 0.00 H new ATOM 0 HB2 ASP A 17 28.665 15.178 -15.759 1.00 0.00 H new ATOM 0 HB3 ASP A 17 28.384 13.747 -16.730 1.00 0.00 H new ATOM 243 N GLY A 18 27.052 14.151 -19.551 1.00 0.00 N ATOM 244 CA GLY A 18 27.148 13.481 -20.842 1.00 0.00 C ATOM 245 C GLY A 18 26.060 12.419 -20.956 1.00 0.00 C ATOM 246 O GLY A 18 25.010 12.543 -20.323 1.00 0.00 O ATOM 0 H GLY A 18 26.258 13.838 -18.993 1.00 0.00 H new ATOM 0 HA2 GLY A 18 27.045 14.208 -21.648 1.00 0.00 H new ATOM 0 HA3 GLY A 18 28.130 13.021 -20.951 1.00 0.00 H new ATOM 250 N VAL A 19 26.298 11.383 -21.760 1.00 0.00 N ATOM 251 CA VAL A 19 25.446 10.194 -21.799 1.00 0.00 C ATOM 252 C VAL A 19 25.601 9.451 -20.460 1.00 0.00 C ATOM 253 O VAL A 19 26.712 9.372 -19.924 1.00 0.00 O ATOM 254 CB VAL A 19 25.845 9.317 -23.009 1.00 0.00 C ATOM 255 CG1 VAL A 19 25.004 8.036 -23.114 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.707 10.092 -24.333 1.00 0.00 C ATOM 0 H VAL A 19 27.088 11.344 -22.404 1.00 0.00 H new ATOM 0 HA VAL A 19 24.396 10.459 -21.927 1.00 0.00 H new ATOM 0 HB VAL A 19 26.886 9.042 -22.840 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.327 7.459 -23.981 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.135 7.439 -22.211 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.952 8.299 -23.225 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.995 9.448 -25.164 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.672 10.410 -24.462 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.356 10.968 -24.311 1.00 0.00 H new ATOM 266 N PHE A 20 24.517 8.877 -19.931 1.00 0.00 N ATOM 267 CA PHE A 20 24.529 8.008 -18.753 1.00 0.00 C ATOM 268 C PHE A 20 23.311 7.083 -18.774 1.00 0.00 C ATOM 269 O PHE A 20 22.376 7.299 -19.546 1.00 0.00 O ATOM 270 CB PHE A 20 24.559 8.837 -17.458 1.00 0.00 C ATOM 271 CG PHE A 20 23.455 9.868 -17.303 1.00 0.00 C ATOM 272 CD1 PHE A 20 22.225 9.525 -16.715 1.00 0.00 C ATOM 273 CD2 PHE A 20 23.668 11.189 -17.735 1.00 0.00 C ATOM 274 CE1 PHE A 20 21.215 10.491 -16.563 1.00 0.00 C ATOM 275 CE2 PHE A 20 22.648 12.147 -17.618 1.00 0.00 C ATOM 276 CZ PHE A 20 21.422 11.799 -17.027 1.00 0.00 C ATOM 0 H PHE A 20 23.583 9.008 -20.321 1.00 0.00 H new ATOM 0 HA PHE A 20 25.433 7.400 -18.780 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.512 8.153 -16.611 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.519 9.350 -17.400 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.055 8.513 -16.378 1.00 0.00 H new ATOM 0 HD2 PHE A 20 24.621 11.468 -18.159 1.00 0.00 H new ATOM 0 HE1 PHE A 20 20.281 10.227 -16.090 1.00 0.00 H new ATOM 0 HE2 PHE A 20 22.806 13.151 -17.982 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.640 12.537 -16.930 1.00 0.00 H new ATOM 286 N LYS A 21 23.301 6.049 -17.926 1.00 0.00 N ATOM 287 CA LYS A 21 22.157 5.149 -17.790 1.00 0.00 C ATOM 288 C LYS A 21 21.312 5.602 -16.605 1.00 0.00 C ATOM 289 O LYS A 21 21.826 6.219 -15.668 1.00 0.00 O ATOM 290 CB LYS A 21 22.596 3.685 -17.600 1.00 0.00 C ATOM 291 CG LYS A 21 23.188 2.993 -18.840 1.00 0.00 C ATOM 292 CD LYS A 21 24.650 3.367 -19.137 1.00 0.00 C ATOM 293 CE LYS A 21 25.263 2.544 -20.284 1.00 0.00 C ATOM 294 NZ LYS A 21 25.361 1.094 -19.979 1.00 0.00 N ATOM 0 H LYS A 21 24.085 5.815 -17.317 1.00 0.00 H new ATOM 0 HA LYS A 21 21.573 5.192 -18.709 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.336 3.649 -16.800 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.734 3.109 -17.263 1.00 0.00 H new ATOM 0 HG2 LYS A 21 23.122 1.913 -18.705 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.578 3.244 -19.708 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.704 4.426 -19.389 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.246 3.223 -18.236 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.660 2.679 -21.182 1.00 0.00 H new ATOM 0 HE3 LYS A 21 26.258 2.929 -20.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 26.099 0.664 -20.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.604 0.966 -18.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.448 0.636 -20.175 1.00 0.00 H new ATOM 308 N TYR A 22 20.024 5.275 -16.633 1.00 0.00 N ATOM 309 CA TYR A 22 19.059 5.670 -15.619 1.00 0.00 C ATOM 310 C TYR A 22 18.175 4.465 -15.270 1.00 0.00 C ATOM 311 O TYR A 22 18.192 3.439 -15.967 1.00 0.00 O ATOM 312 CB TYR A 22 18.277 6.916 -16.095 1.00 0.00 C ATOM 313 CG TYR A 22 16.803 6.689 -16.347 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.412 5.897 -17.437 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.841 7.162 -15.435 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.069 5.537 -17.593 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.486 6.835 -15.608 1.00 0.00 C ATOM 318 CZ TYR A 22 14.096 6.018 -16.691 1.00 0.00 C ATOM 319 OH TYR A 22 12.786 5.714 -16.887 1.00 0.00 O ATOM 0 H TYR A 22 19.615 4.714 -17.380 1.00 0.00 H new ATOM 0 HA TYR A 22 19.556 5.968 -14.696 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.385 7.702 -15.347 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.735 7.284 -17.013 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.147 5.565 -18.155 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.145 7.777 -14.601 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.776 4.889 -18.406 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.746 7.207 -14.915 1.00 0.00 H new ATOM 0 HH TYR A 22 12.251 6.534 -16.849 1.00 0.00 H new ATOM 329 N VAL A 23 17.401 4.593 -14.196 1.00 0.00 N ATOM 330 CA VAL A 23 16.444 3.603 -13.733 1.00 0.00 C ATOM 331 C VAL A 23 15.223 4.349 -13.171 1.00 0.00 C ATOM 332 O VAL A 23 15.334 5.490 -12.700 1.00 0.00 O ATOM 333 CB VAL A 23 17.153 2.668 -12.725 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.464 3.357 -11.386 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.385 1.364 -12.477 1.00 0.00 C ATOM 0 H VAL A 23 17.427 5.423 -13.604 1.00 0.00 H new ATOM 0 HA VAL A 23 16.075 2.960 -14.532 1.00 0.00 H new ATOM 0 HB VAL A 23 18.100 2.415 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.961 2.651 -10.720 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.116 4.213 -11.560 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.535 3.696 -10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.932 0.750 -11.761 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.397 1.594 -12.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.279 0.820 -13.416 1.00 0.00 H new ATOM 345 N LEU A 24 14.067 3.683 -13.195 1.00 0.00 N ATOM 346 CA LEU A 24 12.800 4.183 -12.679 1.00 0.00 C ATOM 347 C LEU A 24 12.415 3.221 -11.571 1.00 0.00 C ATOM 348 O LEU A 24 12.197 2.041 -11.860 1.00 0.00 O ATOM 349 CB LEU A 24 11.754 4.179 -13.810 1.00 0.00 C ATOM 350 CG LEU A 24 10.370 4.753 -13.440 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.440 6.261 -13.178 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.383 4.499 -14.584 1.00 0.00 C ATOM 0 H LEU A 24 13.989 2.746 -13.590 1.00 0.00 H new ATOM 0 HA LEU A 24 12.866 5.205 -12.306 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.151 4.749 -14.650 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.622 3.153 -14.155 1.00 0.00 H new ATOM 0 HG LEU A 24 10.037 4.255 -12.530 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.448 6.632 -12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.126 6.456 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.796 6.770 -14.074 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.407 4.906 -14.319 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.744 4.984 -15.491 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.295 3.426 -14.757 1.00 0.00 H new ATOM 364 N ILE A 25 12.366 3.678 -10.319 1.00 0.00 N ATOM 365 CA ILE A 25 12.118 2.788 -9.187 1.00 0.00 C ATOM 366 C ILE A 25 10.860 3.246 -8.462 1.00 0.00 C ATOM 367 O ILE A 25 10.700 4.432 -8.174 1.00 0.00 O ATOM 368 CB ILE A 25 13.367 2.550 -8.284 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.270 3.127 -6.854 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.707 2.971 -8.923 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.338 2.578 -5.906 1.00 0.00 C ATOM 0 H ILE A 25 12.495 4.657 -10.065 1.00 0.00 H new ATOM 0 HA ILE A 25 11.926 1.782 -9.560 1.00 0.00 H new ATOM 0 HB ILE A 25 13.361 1.464 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.359 4.212 -6.901 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.284 2.905 -6.446 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.521 2.771 -8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.867 2.404 -9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.681 4.036 -9.154 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.213 3.024 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.236 1.495 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.328 2.823 -6.292 1.00 0.00 H new ATOM 383 N ARG A 26 9.968 2.296 -8.191 1.00 0.00 N ATOM 384 CA ARG A 26 8.817 2.471 -7.327 1.00 0.00 C ATOM 385 C ARG A 26 9.316 2.387 -5.896 1.00 0.00 C ATOM 386 O ARG A 26 10.195 1.574 -5.612 1.00 0.00 O ATOM 387 CB ARG A 26 7.812 1.348 -7.624 1.00 0.00 C ATOM 388 CG ARG A 26 6.550 1.431 -6.746 1.00 0.00 C ATOM 389 CD ARG A 26 5.344 0.743 -7.400 1.00 0.00 C ATOM 390 NE ARG A 26 4.865 1.541 -8.540 1.00 0.00 N ATOM 391 CZ ARG A 26 3.982 1.191 -9.477 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.386 0.001 -9.442 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.708 2.051 -10.452 1.00 0.00 N ATOM 0 H ARG A 26 10.034 1.356 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 26 8.322 3.429 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.523 1.394 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.295 0.383 -7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.750 0.968 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.310 2.477 -6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.623 -0.255 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.544 0.621 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 26 5.257 2.479 -8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.603 -0.656 -8.692 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.713 -0.254 -10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.170 2.960 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.036 1.802 -11.178 1.00 0.00 H new ATOM 407 N VAL A 27 8.721 3.160 -4.998 1.00 0.00 N ATOM 408 CA VAL A 27 9.019 3.167 -3.579 1.00 0.00 C ATOM 409 C VAL A 27 7.677 3.222 -2.841 1.00 0.00 C ATOM 410 O VAL A 27 6.744 3.884 -3.306 1.00 0.00 O ATOM 411 CB VAL A 27 9.992 4.333 -3.275 1.00 0.00 C ATOM 412 CG1 VAL A 27 9.561 5.701 -3.818 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.267 4.454 -1.777 1.00 0.00 C ATOM 0 H VAL A 27 7.989 3.824 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 27 9.537 2.271 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 27 10.901 4.061 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.308 6.449 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.468 5.649 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.600 5.978 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.953 5.282 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.331 4.638 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.713 3.528 -1.413 1.00 0.00 H new ATOM 423 N HIS A 28 7.571 2.501 -1.721 1.00 0.00 N ATOM 424 CA HIS A 28 6.340 2.333 -0.947 1.00 0.00 C ATOM 425 C HIS A 28 6.442 3.126 0.362 1.00 0.00 C ATOM 426 O HIS A 28 7.543 3.284 0.902 1.00 0.00 O ATOM 427 CB HIS A 28 6.138 0.837 -0.650 1.00 0.00 C ATOM 428 CG HIS A 28 6.196 -0.066 -1.865 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.352 -0.042 -2.952 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.093 -1.076 -2.088 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.730 -1.008 -3.804 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.796 -1.672 -3.322 1.00 0.00 N ATOM 0 H HIS A 28 8.364 2.003 -1.317 1.00 0.00 H new ATOM 0 HA HIS A 28 5.488 2.707 -1.515 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.900 0.516 0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.172 0.705 -0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 28 7.895 -1.365 -1.425 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.246 -1.222 -4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.287 -2.449 -3.763 1.00 0.00 H new ATOM 440 N SER A 29 5.314 3.616 0.890 1.00 0.00 N ATOM 441 CA SER A 29 5.267 4.329 2.163 1.00 0.00 C ATOM 442 C SER A 29 5.683 3.410 3.322 1.00 0.00 C ATOM 443 O SER A 29 4.879 2.607 3.800 1.00 0.00 O ATOM 444 CB SER A 29 3.859 4.876 2.438 1.00 0.00 C ATOM 445 OG SER A 29 3.298 5.570 1.347 1.00 0.00 O ATOM 0 H SER A 29 4.404 3.526 0.439 1.00 0.00 H new ATOM 0 HA SER A 29 5.967 5.161 2.093 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.203 4.048 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.900 5.543 3.299 1.00 0.00 H new ATOM 0 HG SER A 29 2.574 6.149 1.665 1.00 0.00 H new ATOM 451 N ALA A 30 6.933 3.521 3.777 1.00 0.00 N ATOM 452 CA ALA A 30 7.425 2.897 4.999 1.00 0.00 C ATOM 453 C ALA A 30 8.631 3.616 5.658 1.00 0.00 C ATOM 454 O ALA A 30 9.330 2.934 6.411 1.00 0.00 O ATOM 455 CB ALA A 30 7.716 1.405 4.738 1.00 0.00 C ATOM 0 H ALA A 30 7.647 4.063 3.290 1.00 0.00 H new ATOM 0 HA ALA A 30 6.629 2.993 5.737 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.084 0.941 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.801 0.906 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.470 1.313 3.956 1.00 0.00 H new ATOM 461 N PRO A 31 8.954 4.922 5.449 1.00 0.00 N ATOM 462 CA PRO A 31 10.003 5.564 6.244 1.00 0.00 C ATOM 463 C PRO A 31 9.870 5.290 7.749 1.00 0.00 C ATOM 464 O PRO A 31 8.770 5.325 8.311 1.00 0.00 O ATOM 465 CB PRO A 31 9.938 7.060 5.940 1.00 0.00 C ATOM 466 CG PRO A 31 9.385 7.092 4.522 1.00 0.00 C ATOM 467 CD PRO A 31 8.398 5.923 4.536 1.00 0.00 C ATOM 0 HA PRO A 31 10.973 5.148 5.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.289 7.587 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.920 7.528 6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.893 8.038 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.168 6.955 3.776 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.414 6.250 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.273 5.509 3.536 1.00 0.00 H new ATOM 475 N ARG A 32 11.010 5.002 8.384 1.00 0.00 N ATOM 476 CA ARG A 32 11.167 4.612 9.788 1.00 0.00 C ATOM 477 C ARG A 32 10.172 3.534 10.248 1.00 0.00 C ATOM 478 O ARG A 32 9.881 3.446 11.441 1.00 0.00 O ATOM 479 CB ARG A 32 11.157 5.873 10.676 1.00 0.00 C ATOM 480 CG ARG A 32 12.140 6.998 10.286 1.00 0.00 C ATOM 481 CD ARG A 32 13.617 6.719 10.609 1.00 0.00 C ATOM 482 NE ARG A 32 14.230 5.687 9.746 1.00 0.00 N ATOM 483 CZ ARG A 32 14.825 4.555 10.152 1.00 0.00 C ATOM 484 NH1 ARG A 32 14.758 4.165 11.423 1.00 0.00 N ATOM 485 NH2 ARG A 32 15.478 3.804 9.276 1.00 0.00 N ATOM 0 H ARG A 32 11.907 5.038 7.899 1.00 0.00 H new ATOM 0 HA ARG A 32 12.136 4.125 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.148 6.285 10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.374 5.571 11.701 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.048 7.184 9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.840 7.913 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.183 7.645 10.510 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.699 6.405 11.650 1.00 0.00 H new ATOM 0 HE ARG A 32 14.197 5.852 8.740 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.249 4.729 12.103 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.216 3.302 11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.527 4.088 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.932 2.943 9.581 1.00 0.00 H new ATOM 499 N SER A 33 9.656 2.715 9.323 1.00 0.00 N ATOM 500 CA SER A 33 8.630 1.707 9.575 1.00 0.00 C ATOM 501 C SER A 33 7.413 2.284 10.325 1.00 0.00 C ATOM 502 O SER A 33 6.790 1.586 11.130 1.00 0.00 O ATOM 503 CB SER A 33 9.266 0.487 10.266 1.00 0.00 C ATOM 504 OG SER A 33 10.434 0.056 9.577 1.00 0.00 O ATOM 0 H SER A 33 9.954 2.740 8.348 1.00 0.00 H new ATOM 0 HA SER A 33 8.223 1.367 8.623 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.520 0.740 11.295 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.544 -0.328 10.308 1.00 0.00 H new ATOM 0 HG SER A 33 10.819 -0.719 10.038 1.00 0.00 H new ATOM 510 N GLY A 34 7.075 3.558 10.084 1.00 0.00 N ATOM 511 CA GLY A 34 6.048 4.285 10.829 1.00 0.00 C ATOM 512 C GLY A 34 5.266 5.260 9.951 1.00 0.00 C ATOM 513 O GLY A 34 4.724 6.241 10.463 1.00 0.00 O ATOM 0 H GLY A 34 7.516 4.117 9.354 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.357 3.572 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.517 4.833 11.646 1.00 0.00 H new ATOM 517 N ALA A 35 5.225 5.019 8.635 1.00 0.00 N ATOM 518 CA ALA A 35 4.451 5.828 7.698 1.00 0.00 C ATOM 519 C ALA A 35 2.947 5.758 8.031 1.00 0.00 C ATOM 520 O ALA A 35 2.480 4.721 8.513 1.00 0.00 O ATOM 521 CB ALA A 35 4.713 5.334 6.271 1.00 0.00 C ATOM 0 H ALA A 35 5.732 4.252 8.192 1.00 0.00 H new ATOM 0 HA ALA A 35 4.761 6.870 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.137 5.935 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.775 5.426 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.413 4.289 6.187 1.00 0.00 H new ATOM 527 N PRO A 36 2.165 6.815 7.740 1.00 0.00 N ATOM 528 CA PRO A 36 0.735 6.865 8.046 1.00 0.00 C ATOM 529 C PRO A 36 -0.135 6.047 7.076 1.00 0.00 C ATOM 530 O PRO A 36 -1.341 5.919 7.305 1.00 0.00 O ATOM 531 CB PRO A 36 0.376 8.355 7.992 1.00 0.00 C ATOM 532 CG PRO A 36 1.341 8.906 6.944 1.00 0.00 C ATOM 533 CD PRO A 36 2.608 8.093 7.196 1.00 0.00 C ATOM 0 HA PRO A 36 0.537 6.414 9.018 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.664 8.509 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.513 8.838 8.960 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.963 8.764 5.931 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.513 9.975 7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.170 7.950 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.268 8.606 7.895 1.00 0.00 H new ATOM 541 N ALA A 37 0.438 5.523 5.988 1.00 0.00 N ATOM 542 CA ALA A 37 -0.272 4.878 4.889 1.00 0.00 C ATOM 543 C ALA A 37 0.658 3.867 4.203 1.00 0.00 C ATOM 544 O ALA A 37 1.791 3.669 4.649 1.00 0.00 O ATOM 545 CB ALA A 37 -0.731 5.971 3.912 1.00 0.00 C ATOM 0 H ALA A 37 1.448 5.539 5.847 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.144 4.334 5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.266 5.514 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.392 6.667 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.138 6.509 3.533 1.00 0.00 H new ATOM 551 N ALA A 38 0.191 3.263 3.106 1.00 0.00 N ATOM 552 CA ALA A 38 0.935 2.341 2.249 1.00 0.00 C ATOM 553 C ALA A 38 0.681 2.717 0.786 1.00 0.00 C ATOM 554 O ALA A 38 0.237 1.896 -0.021 1.00 0.00 O ATOM 555 CB ALA A 38 0.583 0.885 2.576 1.00 0.00 C ATOM 0 H ALA A 38 -0.763 3.413 2.777 1.00 0.00 H new ATOM 0 HA ALA A 38 2.006 2.428 2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.149 0.219 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.833 0.675 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.484 0.725 2.420 1.00 0.00 H new ATOM 561 N GLU A 39 0.890 3.996 0.472 1.00 0.00 N ATOM 562 CA GLU A 39 0.867 4.489 -0.898 1.00 0.00 C ATOM 563 C GLU A 39 2.184 4.105 -1.592 1.00 0.00 C ATOM 564 O GLU A 39 3.040 3.417 -1.020 1.00 0.00 O ATOM 565 CB GLU A 39 0.624 6.011 -0.908 1.00 0.00 C ATOM 566 CG GLU A 39 -0.748 6.387 -0.331 1.00 0.00 C ATOM 567 CD GLU A 39 -1.036 7.890 -0.491 1.00 0.00 C ATOM 568 OE1 GLU A 39 -0.694 8.685 0.413 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.630 8.295 -1.517 1.00 0.00 O ATOM 0 H GLU A 39 1.080 4.719 1.166 1.00 0.00 H new ATOM 0 HA GLU A 39 0.047 4.031 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.406 6.505 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.700 6.382 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.525 5.811 -0.834 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.785 6.119 0.725 1.00 0.00 H new ATOM 576 N SER A 40 2.362 4.508 -2.852 1.00 0.00 N ATOM 577 CA SER A 40 3.606 4.333 -3.592 1.00 0.00 C ATOM 578 C SER A 40 3.738 5.421 -4.660 1.00 0.00 C ATOM 579 O SER A 40 2.742 6.034 -5.059 1.00 0.00 O ATOM 580 CB SER A 40 3.663 2.947 -4.246 1.00 0.00 C ATOM 581 OG SER A 40 3.352 1.931 -3.310 1.00 0.00 O ATOM 0 H SER A 40 1.632 4.972 -3.392 1.00 0.00 H new ATOM 0 HA SER A 40 4.436 4.416 -2.890 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.962 2.905 -5.080 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.658 2.776 -4.657 1.00 0.00 H new ATOM 0 HG SER A 40 4.001 1.201 -3.391 1.00 0.00 H new ATOM 587 N LYS A 41 4.968 5.656 -5.115 1.00 0.00 N ATOM 588 CA LYS A 41 5.326 6.616 -6.161 1.00 0.00 C ATOM 589 C LYS A 41 6.637 6.181 -6.797 1.00 0.00 C ATOM 590 O LYS A 41 7.336 5.335 -6.236 1.00 0.00 O ATOM 591 CB LYS A 41 5.389 8.061 -5.617 1.00 0.00 C ATOM 592 CG LYS A 41 6.303 8.308 -4.402 1.00 0.00 C ATOM 593 CD LYS A 41 7.796 8.573 -4.644 1.00 0.00 C ATOM 594 CE LYS A 41 8.124 9.850 -5.422 1.00 0.00 C ATOM 595 NZ LYS A 41 7.602 11.097 -4.815 1.00 0.00 N ATOM 0 H LYS A 41 5.780 5.160 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 41 4.549 6.624 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.716 8.714 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.378 8.367 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.901 9.160 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.223 7.441 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.300 8.618 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.215 7.723 -5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.207 9.934 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.722 9.758 -6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.955 11.917 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.562 11.087 -4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.922 11.163 -3.828 1.00 0.00 H new ATOM 609 N GLU A 42 6.990 6.788 -7.927 1.00 0.00 N ATOM 610 CA GLU A 42 8.202 6.456 -8.660 1.00 0.00 C ATOM 611 C GLU A 42 9.198 7.598 -8.486 1.00 0.00 C ATOM 612 O GLU A 42 8.795 8.754 -8.322 1.00 0.00 O ATOM 613 CB GLU A 42 7.892 6.272 -10.157 1.00 0.00 C ATOM 614 CG GLU A 42 7.453 4.859 -10.554 1.00 0.00 C ATOM 615 CD GLU A 42 6.066 4.463 -10.027 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.959 4.037 -8.861 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.080 4.473 -10.798 1.00 0.00 O ATOM 0 H GLU A 42 6.438 7.528 -8.360 1.00 0.00 H new ATOM 0 HA GLU A 42 8.616 5.524 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.107 6.974 -10.440 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.779 6.537 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.452 4.782 -11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.188 4.144 -10.184 1.00 0.00 H new ATOM 624 N ILE A 43 10.488 7.283 -8.576 1.00 0.00 N ATOM 625 CA ILE A 43 11.579 8.248 -8.595 1.00 0.00 C ATOM 626 C ILE A 43 12.498 7.937 -9.775 1.00 0.00 C ATOM 627 O ILE A 43 12.585 6.792 -10.228 1.00 0.00 O ATOM 628 CB ILE A 43 12.332 8.283 -7.244 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.911 6.909 -6.840 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.388 8.819 -6.160 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.775 6.933 -5.575 1.00 0.00 C ATOM 0 H ILE A 43 10.811 6.317 -8.640 1.00 0.00 H new ATOM 0 HA ILE A 43 11.175 9.251 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 43 13.190 8.946 -7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.087 6.211 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.508 6.523 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.911 8.847 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.063 9.825 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.519 8.166 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.140 5.928 -5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.622 7.603 -5.725 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.179 7.286 -4.734 1.00 0.00 H new ATOM 643 N VAL A 44 13.178 8.974 -10.259 1.00 0.00 N ATOM 644 CA VAL A 44 13.943 8.972 -11.499 1.00 0.00 C ATOM 645 C VAL A 44 15.384 9.290 -11.111 1.00 0.00 C ATOM 646 O VAL A 44 15.649 10.390 -10.618 1.00 0.00 O ATOM 647 CB VAL A 44 13.327 10.036 -12.438 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.130 10.265 -13.726 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.884 9.693 -12.836 1.00 0.00 C ATOM 0 H VAL A 44 13.211 9.873 -9.778 1.00 0.00 H new ATOM 0 HA VAL A 44 13.921 8.019 -12.028 1.00 0.00 H new ATOM 0 HB VAL A 44 13.349 10.952 -11.847 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.636 11.024 -14.333 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.136 10.601 -13.473 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.189 9.333 -14.288 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.494 10.469 -13.495 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.868 8.734 -13.354 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.264 9.632 -11.941 1.00 0.00 H new ATOM 659 N ARG A 45 16.309 8.343 -11.310 1.00 0.00 N ATOM 660 CA ARG A 45 17.722 8.513 -10.959 1.00 0.00 C ATOM 661 C ARG A 45 18.575 7.981 -12.103 1.00 0.00 C ATOM 662 O ARG A 45 18.176 7.022 -12.767 1.00 0.00 O ATOM 663 CB ARG A 45 18.066 7.767 -9.651 1.00 0.00 C ATOM 664 CG ARG A 45 17.257 8.173 -8.405 1.00 0.00 C ATOM 665 CD ARG A 45 17.423 9.636 -7.977 1.00 0.00 C ATOM 666 NE ARG A 45 16.533 9.967 -6.849 1.00 0.00 N ATOM 667 CZ ARG A 45 16.787 9.744 -5.552 1.00 0.00 C ATOM 668 NH1 ARG A 45 17.967 9.262 -5.165 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.846 9.999 -4.648 1.00 0.00 N ATOM 0 H ARG A 45 16.096 7.434 -11.721 1.00 0.00 H new ATOM 0 HA ARG A 45 17.924 9.572 -10.798 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.925 6.699 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.124 7.919 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.201 7.983 -8.598 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.550 7.531 -7.574 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.459 9.819 -7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.204 10.291 -8.820 1.00 0.00 H new ATOM 0 HE ARG A 45 15.641 10.407 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.687 9.059 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.150 9.096 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.940 10.361 -4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.031 9.832 -3.659 1.00 0.00 H new ATOM 683 N GLY A 46 19.748 8.566 -12.326 1.00 0.00 N ATOM 684 CA GLY A 46 20.677 8.118 -13.351 1.00 0.00 C ATOM 685 C GLY A 46 21.893 9.019 -13.385 1.00 0.00 C ATOM 686 O GLY A 46 21.751 10.242 -13.291 1.00 0.00 O ATOM 0 H GLY A 46 20.081 9.371 -11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.982 7.091 -13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.186 8.121 -14.324 1.00 0.00 H new ATOM 690 N TYR A 47 23.078 8.414 -13.496 1.00 0.00 N ATOM 691 CA TYR A 47 24.347 9.123 -13.379 1.00 0.00 C ATOM 692 C TYR A 47 25.431 8.341 -14.106 1.00 0.00 C ATOM 693 O TYR A 47 25.348 7.113 -14.184 1.00 0.00 O ATOM 694 CB TYR A 47 24.767 9.275 -11.906 1.00 0.00 C ATOM 695 CG TYR A 47 23.680 9.621 -10.901 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.879 8.588 -10.378 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.505 10.941 -10.440 1.00 0.00 C ATOM 698 CE1 TYR A 47 21.936 8.854 -9.372 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.558 11.217 -9.435 1.00 0.00 C ATOM 700 CZ TYR A 47 21.784 10.169 -8.882 1.00 0.00 C ATOM 701 OH TYR A 47 20.928 10.393 -7.850 1.00 0.00 O ATOM 0 H TYR A 47 23.181 7.414 -13.670 1.00 0.00 H new ATOM 0 HA TYR A 47 24.221 10.113 -13.817 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.233 8.341 -11.590 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.534 10.048 -11.852 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.991 7.582 -10.754 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.098 11.742 -10.858 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.329 8.054 -8.974 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.422 12.230 -9.086 1.00 0.00 H new ATOM 0 HH TYR A 47 21.154 11.242 -7.416 1.00 0.00 H new ATOM 711 N LYS A 48 26.469 9.025 -14.602 1.00 0.00 N ATOM 712 CA LYS A 48 27.540 8.372 -15.357 1.00 0.00 C ATOM 713 C LYS A 48 28.253 7.293 -14.534 1.00 0.00 C ATOM 714 O LYS A 48 28.694 6.298 -15.109 1.00 0.00 O ATOM 715 CB LYS A 48 28.513 9.440 -15.889 1.00 0.00 C ATOM 716 CG LYS A 48 29.464 8.885 -16.963 1.00 0.00 C ATOM 717 CD LYS A 48 30.347 9.972 -17.593 1.00 0.00 C ATOM 718 CE LYS A 48 31.377 10.525 -16.596 1.00 0.00 C ATOM 719 NZ LYS A 48 32.228 11.575 -17.203 1.00 0.00 N ATOM 0 H LYS A 48 26.588 10.032 -14.493 1.00 0.00 H new ATOM 0 HA LYS A 48 27.101 7.848 -16.206 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.944 10.271 -16.306 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.098 9.839 -15.061 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.100 8.119 -16.519 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.879 8.400 -17.744 1.00 0.00 H new ATOM 0 HD2 LYS A 48 30.865 9.561 -18.459 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.718 10.786 -17.954 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.859 10.935 -15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 48 32.006 9.711 -16.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.827 12.004 -16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 32.830 11.152 -17.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 31.625 12.307 -17.629 1.00 0.00 H new ATOM 733 N TRP A 49 28.351 7.452 -13.206 1.00 0.00 N ATOM 734 CA TRP A 49 28.980 6.446 -12.354 1.00 0.00 C ATOM 735 C TRP A 49 28.212 5.117 -12.355 1.00 0.00 C ATOM 736 O TRP A 49 28.841 4.071 -12.174 1.00 0.00 O ATOM 737 CB TRP A 49 29.235 6.984 -10.935 1.00 0.00 C ATOM 738 CG TRP A 49 28.124 7.690 -10.206 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.088 9.018 -9.951 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.926 7.144 -9.565 1.00 0.00 C ATOM 741 NE1 TRP A 49 26.972 9.328 -9.202 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.215 8.210 -8.935 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.360 5.857 -9.447 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.005 8.009 -8.248 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.117 5.655 -8.820 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.427 6.729 -8.233 1.00 0.00 C ATOM 0 H TRP A 49 28.002 8.268 -12.704 1.00 0.00 H new ATOM 0 HA TRP A 49 29.956 6.226 -12.786 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.550 6.143 -10.317 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.079 7.672 -10.992 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.826 9.732 -10.285 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.737 10.269 -8.885 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.893 5.007 -9.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.525 8.830 -7.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.689 4.664 -8.790 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.462 6.572 -7.775 1.00 0.00 H new ATOM 757 N ALA A 50 26.894 5.113 -12.589 1.00 0.00 N ATOM 758 CA ALA A 50 26.137 3.887 -12.773 1.00 0.00 C ATOM 759 C ALA A 50 26.247 3.472 -14.238 1.00 0.00 C ATOM 760 O ALA A 50 25.362 3.743 -15.051 1.00 0.00 O ATOM 761 CB ALA A 50 24.689 4.043 -12.318 1.00 0.00 C ATOM 0 H ALA A 50 26.331 5.961 -12.654 1.00 0.00 H new ATOM 0 HA ALA A 50 26.553 3.098 -12.147 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.156 3.105 -12.472 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.666 4.304 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.209 4.832 -12.897 1.00 0.00 H new ATOM 767 N GLU A 51 27.351 2.808 -14.576 1.00 0.00 N ATOM 768 CA GLU A 51 27.562 2.238 -15.905 1.00 0.00 C ATOM 769 C GLU A 51 26.532 1.138 -16.223 1.00 0.00 C ATOM 770 O GLU A 51 26.390 0.755 -17.385 1.00 0.00 O ATOM 771 CB GLU A 51 28.994 1.686 -16.020 1.00 0.00 C ATOM 772 CG GLU A 51 30.058 2.785 -15.898 1.00 0.00 C ATOM 773 CD GLU A 51 31.474 2.229 -16.129 1.00 0.00 C ATOM 774 OE1 GLU A 51 31.950 2.221 -17.287 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.138 1.808 -15.155 1.00 0.00 O ATOM 0 H GLU A 51 28.127 2.650 -13.933 1.00 0.00 H new ATOM 0 HA GLU A 51 27.425 3.034 -16.637 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.156 0.940 -15.242 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.109 1.178 -16.978 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.853 3.573 -16.623 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.001 3.239 -14.909 1.00 0.00 H new ATOM 782 N TYR A 52 25.801 0.642 -15.218 1.00 0.00 N ATOM 783 CA TYR A 52 24.764 -0.372 -15.340 1.00 0.00 C ATOM 784 C TYR A 52 23.611 0.002 -14.409 1.00 0.00 C ATOM 785 O TYR A 52 23.829 0.507 -13.305 1.00 0.00 O ATOM 786 CB TYR A 52 25.301 -1.783 -15.033 1.00 0.00 C ATOM 787 CG TYR A 52 26.416 -1.874 -14.007 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.730 -1.564 -14.396 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.153 -2.281 -12.687 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.784 -1.642 -13.469 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.200 -2.373 -11.753 1.00 0.00 C ATOM 792 CZ TYR A 52 28.523 -2.049 -12.140 1.00 0.00 C ATOM 793 OH TYR A 52 29.550 -2.127 -11.248 1.00 0.00 O ATOM 0 H TYR A 52 25.927 0.956 -14.256 1.00 0.00 H new ATOM 0 HA TYR A 52 24.410 -0.401 -16.370 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.469 -2.397 -14.688 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.658 -2.223 -15.964 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.932 -1.264 -15.414 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.144 -2.524 -12.390 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.790 -1.392 -13.771 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.995 -2.691 -10.741 1.00 0.00 H new ATOM 0 HH TYR A 52 29.206 -2.420 -10.378 1.00 0.00 H new ATOM 803 N HIS A 53 22.381 -0.273 -14.847 1.00 0.00 N ATOM 804 CA HIS A 53 21.144 0.115 -14.162 1.00 0.00 C ATOM 805 C HIS A 53 21.036 -0.529 -12.774 1.00 0.00 C ATOM 806 O HIS A 53 20.466 0.061 -11.857 1.00 0.00 O ATOM 807 CB HIS A 53 19.922 -0.270 -15.017 1.00 0.00 C ATOM 808 CG HIS A 53 20.077 0.045 -16.488 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.689 1.197 -17.136 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.675 -0.762 -17.420 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.068 1.085 -18.423 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.680 -0.092 -18.644 1.00 0.00 N ATOM 0 H HIS A 53 22.212 -0.786 -15.712 1.00 0.00 H new ATOM 0 HA HIS A 53 21.167 1.196 -14.026 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.733 -1.337 -14.902 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.045 0.252 -14.635 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.203 1.990 -16.717 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.075 -1.749 -17.238 1.00 0.00 H new ATOM 0 HE1 HIS A 53 19.903 1.840 -19.177 1.00 0.00 H new ATOM 820 N ALA A 54 21.606 -1.728 -12.599 1.00 0.00 N ATOM 821 CA ALA A 54 21.627 -2.398 -11.307 1.00 0.00 C ATOM 822 C ALA A 54 22.398 -1.586 -10.259 1.00 0.00 C ATOM 823 O ALA A 54 22.070 -1.682 -9.077 1.00 0.00 O ATOM 824 CB ALA A 54 22.214 -3.806 -11.455 1.00 0.00 C ATOM 0 H ALA A 54 22.060 -2.252 -13.347 1.00 0.00 H new ATOM 0 HA ALA A 54 20.600 -2.482 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.226 -4.299 -10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.603 -4.384 -12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.232 -3.737 -11.839 1.00 0.00 H new ATOM 830 N ASP A 55 23.387 -0.779 -10.666 1.00 0.00 N ATOM 831 CA ASP A 55 24.175 0.010 -9.719 1.00 0.00 C ATOM 832 C ASP A 55 23.304 1.069 -9.049 1.00 0.00 C ATOM 833 O ASP A 55 23.292 1.179 -7.823 1.00 0.00 O ATOM 834 CB ASP A 55 25.356 0.702 -10.406 1.00 0.00 C ATOM 835 CG ASP A 55 26.340 1.225 -9.349 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.058 0.405 -8.731 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.413 2.454 -9.146 1.00 0.00 O ATOM 0 H ASP A 55 23.657 -0.658 -11.642 1.00 0.00 H new ATOM 0 HA ASP A 55 24.561 -0.682 -8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.861 0.003 -11.072 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.998 1.527 -11.022 1.00 0.00 H new ATOM 842 N ILE A 56 22.525 1.809 -9.850 1.00 0.00 N ATOM 843 CA ILE A 56 21.586 2.801 -9.337 1.00 0.00 C ATOM 844 C ILE A 56 20.446 2.115 -8.598 1.00 0.00 C ATOM 845 O ILE A 56 20.066 2.620 -7.547 1.00 0.00 O ATOM 846 CB ILE A 56 21.036 3.784 -10.407 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.055 3.258 -11.865 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.698 5.155 -10.207 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.864 4.315 -12.951 1.00 0.00 C ATOM 0 H ILE A 56 22.532 1.733 -10.867 1.00 0.00 H new ATOM 0 HA ILE A 56 22.158 3.421 -8.646 1.00 0.00 H new ATOM 0 HB ILE A 56 19.964 3.891 -10.243 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.006 2.753 -12.038 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.272 2.508 -11.972 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.320 5.854 -10.953 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.467 5.529 -9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.778 5.057 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.894 3.839 -13.931 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.900 4.806 -12.815 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.661 5.055 -12.882 1.00 0.00 H new ATOM 861 N TYR A 57 19.910 0.986 -9.080 1.00 0.00 N ATOM 862 CA TYR A 57 18.836 0.318 -8.349 1.00 0.00 C ATOM 863 C TYR A 57 19.310 -0.049 -6.941 1.00 0.00 C ATOM 864 O TYR A 57 18.610 0.251 -5.973 1.00 0.00 O ATOM 865 CB TYR A 57 18.315 -0.919 -9.096 1.00 0.00 C ATOM 866 CG TYR A 57 17.288 -1.700 -8.289 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.133 -1.058 -7.797 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.525 -3.049 -7.959 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.235 -1.746 -6.964 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.622 -3.750 -7.138 1.00 0.00 C ATOM 871 CZ TYR A 57 15.479 -3.097 -6.622 1.00 0.00 C ATOM 872 OH TYR A 57 14.640 -3.778 -5.790 1.00 0.00 O ATOM 0 H TYR A 57 20.194 0.530 -9.947 1.00 0.00 H new ATOM 0 HA TYR A 57 18.001 1.014 -8.270 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.869 -0.607 -10.040 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.153 -1.572 -9.339 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.937 -0.030 -8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.405 -3.548 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.358 -1.243 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.802 -4.788 -6.902 1.00 0.00 H new ATOM 0 HH TYR A 57 13.926 -3.180 -5.484 1.00 0.00 H new ATOM 882 N ASP A 58 20.505 -0.634 -6.807 1.00 0.00 N ATOM 883 CA ASP A 58 21.051 -1.017 -5.510 1.00 0.00 C ATOM 884 C ASP A 58 21.329 0.208 -4.636 1.00 0.00 C ATOM 885 O ASP A 58 20.900 0.245 -3.484 1.00 0.00 O ATOM 886 CB ASP A 58 22.333 -1.835 -5.686 1.00 0.00 C ATOM 887 CG ASP A 58 22.937 -2.188 -4.316 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.403 -3.091 -3.632 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.961 -1.585 -3.927 1.00 0.00 O ATOM 0 H ASP A 58 21.115 -0.853 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 58 20.303 -1.630 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.116 -2.748 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.055 -1.269 -6.274 1.00 0.00 H new ATOM 894 N LYS A 59 22.007 1.227 -5.179 1.00 0.00 N ATOM 895 CA LYS A 59 22.351 2.442 -4.440 1.00 0.00 C ATOM 896 C LYS A 59 21.095 3.151 -3.946 1.00 0.00 C ATOM 897 O LYS A 59 20.989 3.463 -2.759 1.00 0.00 O ATOM 898 CB LYS A 59 23.212 3.347 -5.334 1.00 0.00 C ATOM 899 CG LYS A 59 23.429 4.758 -4.758 1.00 0.00 C ATOM 900 CD LYS A 59 24.843 5.253 -5.087 1.00 0.00 C ATOM 901 CE LYS A 59 25.004 6.737 -4.733 1.00 0.00 C ATOM 902 NZ LYS A 59 26.334 7.261 -5.132 1.00 0.00 N ATOM 0 H LYS A 59 22.332 1.229 -6.146 1.00 0.00 H new ATOM 0 HA LYS A 59 22.930 2.182 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.182 2.874 -5.488 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.739 3.432 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.690 5.445 -5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.283 4.744 -3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.576 4.663 -4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.046 5.105 -6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.223 7.315 -5.228 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.868 6.871 -3.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.600 8.047 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.042 6.503 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.293 7.601 -6.114 1.00 0.00 H new ATOM 916 N VAL A 60 20.149 3.403 -4.844 1.00 0.00 N ATOM 917 CA VAL A 60 18.953 4.159 -4.523 1.00 0.00 C ATOM 918 C VAL A 60 18.103 3.348 -3.552 1.00 0.00 C ATOM 919 O VAL A 60 17.682 3.904 -2.543 1.00 0.00 O ATOM 920 CB VAL A 60 18.216 4.581 -5.803 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.937 5.351 -5.438 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.109 5.489 -6.669 1.00 0.00 C ATOM 0 H VAL A 60 20.193 3.087 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 60 19.209 5.093 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 60 17.965 3.681 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.418 5.648 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.286 4.712 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.199 6.240 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.569 5.777 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.375 6.383 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.016 4.951 -6.945 1.00 0.00 H new ATOM 932 N SER A 61 17.898 2.045 -3.778 1.00 0.00 N ATOM 933 CA SER A 61 17.143 1.230 -2.834 1.00 0.00 C ATOM 934 C SER A 61 17.845 1.154 -1.479 1.00 0.00 C ATOM 935 O SER A 61 17.166 1.008 -0.467 1.00 0.00 O ATOM 936 CB SER A 61 16.890 -0.172 -3.389 1.00 0.00 C ATOM 937 OG SER A 61 16.269 -0.073 -4.650 1.00 0.00 O ATOM 0 H SER A 61 18.241 1.542 -4.597 1.00 0.00 H new ATOM 0 HA SER A 61 16.178 1.715 -2.687 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.831 -0.715 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.258 -0.737 -2.704 1.00 0.00 H new ATOM 0 HG SER A 61 16.948 0.090 -5.337 1.00 0.00 H new ATOM 943 N GLY A 62 19.174 1.267 -1.424 1.00 0.00 N ATOM 944 CA GLY A 62 19.915 1.377 -0.179 1.00 0.00 C ATOM 945 C GLY A 62 19.511 2.642 0.572 1.00 0.00 C ATOM 946 O GLY A 62 19.160 2.565 1.749 1.00 0.00 O ATOM 0 H GLY A 62 19.766 1.284 -2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.726 0.502 0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.985 1.396 -0.386 1.00 0.00 H new ATOM 950 N ASP A 63 19.494 3.797 -0.104 1.00 0.00 N ATOM 951 CA ASP A 63 19.076 5.054 0.516 1.00 0.00 C ATOM 952 C ASP A 63 17.610 4.987 0.937 1.00 0.00 C ATOM 953 O ASP A 63 17.290 5.303 2.080 1.00 0.00 O ATOM 954 CB ASP A 63 19.306 6.260 -0.398 1.00 0.00 C ATOM 955 CG ASP A 63 19.043 7.565 0.375 1.00 0.00 C ATOM 956 OD1 ASP A 63 17.882 8.028 0.432 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.016 8.126 0.929 1.00 0.00 O ATOM 0 H ASP A 63 19.766 3.884 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 63 19.698 5.191 1.401 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.329 6.251 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.646 6.201 -1.264 1.00 0.00 H new ATOM 962 N MET A 64 16.721 4.501 0.064 1.00 0.00 N ATOM 963 CA MET A 64 15.311 4.353 0.407 1.00 0.00 C ATOM 964 C MET A 64 15.122 3.445 1.627 1.00 0.00 C ATOM 965 O MET A 64 14.352 3.786 2.524 1.00 0.00 O ATOM 966 CB MET A 64 14.528 3.805 -0.792 1.00 0.00 C ATOM 967 CG MET A 64 14.505 4.704 -2.038 1.00 0.00 C ATOM 968 SD MET A 64 13.808 6.358 -1.809 1.00 0.00 S ATOM 969 CE MET A 64 15.336 7.290 -1.551 1.00 0.00 C ATOM 0 H MET A 64 16.957 4.205 -0.883 1.00 0.00 H new ATOM 0 HA MET A 64 14.924 5.339 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.953 2.840 -1.070 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.500 3.622 -0.479 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.526 4.809 -2.405 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.937 4.196 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.131 8.357 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.729 7.077 -0.557 1.00 0.00 H new ATOM 0 HE3 MET A 64 16.071 6.999 -2.301 1.00 0.00 H new ATOM 979 N GLN A 65 15.825 2.315 1.715 1.00 0.00 N ATOM 980 CA GLN A 65 15.728 1.409 2.853 1.00 0.00 C ATOM 981 C GLN A 65 16.327 2.021 4.122 1.00 0.00 C ATOM 982 O GLN A 65 15.808 1.773 5.208 1.00 0.00 O ATOM 983 CB GLN A 65 16.435 0.089 2.519 1.00 0.00 C ATOM 984 CG GLN A 65 15.576 -0.844 1.652 1.00 0.00 C ATOM 985 CD GLN A 65 16.384 -2.037 1.145 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.219 -3.170 1.594 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.285 -1.803 0.205 1.00 0.00 N ATOM 0 H GLN A 65 16.478 2.004 0.996 1.00 0.00 H new ATOM 0 HA GLN A 65 14.672 1.224 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.368 0.304 1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.697 -0.422 3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.724 -1.200 2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.175 -0.288 0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.410 -0.858 -0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.854 -2.568 -0.157 1.00 0.00 H new ATOM 996 N LYS A 66 17.378 2.843 4.013 1.00 0.00 N ATOM 997 CA LYS A 66 17.896 3.621 5.135 1.00 0.00 C ATOM 998 C LYS A 66 16.814 4.577 5.640 1.00 0.00 C ATOM 999 O LYS A 66 16.619 4.663 6.853 1.00 0.00 O ATOM 1000 CB LYS A 66 19.175 4.334 4.676 1.00 0.00 C ATOM 1001 CG LYS A 66 19.776 5.328 5.683 1.00 0.00 C ATOM 1002 CD LYS A 66 20.929 6.114 5.040 1.00 0.00 C ATOM 1003 CE LYS A 66 20.408 7.093 3.972 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.492 7.800 3.251 1.00 0.00 N ATOM 0 H LYS A 66 17.890 2.984 3.142 1.00 0.00 H new ATOM 0 HA LYS A 66 18.158 2.983 5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.927 3.580 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.961 4.867 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.005 6.018 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.138 4.792 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.470 6.665 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.637 5.420 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.799 6.546 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.758 7.827 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.167 8.051 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.746 8.665 3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.325 7.181 3.182 1.00 0.00 H new ATOM 1018 N GLN A 67 16.068 5.247 4.750 1.00 0.00 N ATOM 1019 CA GLN A 67 14.911 6.038 5.171 1.00 0.00 C ATOM 1020 C GLN A 67 13.882 5.127 5.853 1.00 0.00 C ATOM 1021 O GLN A 67 13.396 5.456 6.934 1.00 0.00 O ATOM 1022 CB GLN A 67 14.308 6.844 4.004 1.00 0.00 C ATOM 1023 CG GLN A 67 15.321 7.833 3.399 1.00 0.00 C ATOM 1024 CD GLN A 67 14.708 8.794 2.378 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.620 9.330 2.571 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.395 9.061 1.278 1.00 0.00 N ATOM 0 H GLN A 67 16.245 5.255 3.746 1.00 0.00 H new ATOM 0 HA GLN A 67 15.240 6.779 5.899 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.965 6.158 3.229 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.433 7.391 4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.775 8.412 4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.123 7.271 2.920 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.298 8.615 1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.021 9.713 0.589 1.00 0.00 H new ATOM 1035 N GLY A 68 13.619 3.954 5.276 1.00 0.00 N ATOM 1036 CA GLY A 68 12.839 2.859 5.862 1.00 0.00 C ATOM 1037 C GLY A 68 12.020 2.075 4.826 1.00 0.00 C ATOM 1038 O GLY A 68 11.391 1.072 5.167 1.00 0.00 O ATOM 0 H GLY A 68 13.960 3.729 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.515 2.174 6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.165 3.265 6.616 1.00 0.00 H new ATOM 1042 N CYS A 69 11.996 2.545 3.578 1.00 0.00 N ATOM 1043 CA CYS A 69 11.124 2.076 2.512 1.00 0.00 C ATOM 1044 C CYS A 69 11.515 0.694 1.971 1.00 0.00 C ATOM 1045 O CYS A 69 12.534 0.115 2.343 1.00 0.00 O ATOM 1046 CB CYS A 69 11.185 3.106 1.381 1.00 0.00 C ATOM 1047 SG CYS A 69 10.359 4.643 1.862 1.00 0.00 S ATOM 0 H CYS A 69 12.614 3.297 3.274 1.00 0.00 H new ATOM 0 HA CYS A 69 10.117 1.969 2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.225 3.311 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.713 2.699 0.487 1.00 0.00 H new ATOM 0 HG CYS A 69 9.081 4.534 1.648 1.00 0.00 H new ATOM 1053 N ASP A 70 10.714 0.211 1.021 1.00 0.00 N ATOM 1054 CA ASP A 70 10.960 -0.958 0.183 1.00 0.00 C ATOM 1055 C ASP A 70 10.677 -0.489 -1.245 1.00 0.00 C ATOM 1056 O ASP A 70 9.802 0.370 -1.432 1.00 0.00 O ATOM 1057 CB ASP A 70 10.061 -2.127 0.596 1.00 0.00 C ATOM 1058 CG ASP A 70 10.232 -3.320 -0.359 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.376 -3.789 -0.543 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.219 -3.807 -0.907 1.00 0.00 O ATOM 0 H ASP A 70 9.821 0.655 0.804 1.00 0.00 H new ATOM 0 HA ASP A 70 11.979 -1.331 0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.303 -2.434 1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.019 -1.806 0.599 1.00 0.00 H new ATOM 1065 N CYS A 71 11.430 -0.989 -2.233 1.00 0.00 N ATOM 1066 CA CYS A 71 11.427 -0.453 -3.593 1.00 0.00 C ATOM 1067 C CYS A 71 11.614 -1.531 -4.663 1.00 0.00 C ATOM 1068 O CYS A 71 12.081 -2.633 -4.365 1.00 0.00 O ATOM 1069 CB CYS A 71 12.591 0.535 -3.742 1.00 0.00 C ATOM 1070 SG CYS A 71 12.593 1.789 -2.443 1.00 0.00 S ATOM 0 H CYS A 71 12.060 -1.781 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 71 10.455 0.017 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.534 -0.011 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.529 1.022 -4.715 1.00 0.00 H new ATOM 0 HG CYS A 71 13.295 1.367 -1.433 1.00 0.00 H new ATOM 1076 N GLU A 72 11.329 -1.189 -5.925 1.00 0.00 N ATOM 1077 CA GLU A 72 11.472 -2.078 -7.068 1.00 0.00 C ATOM 1078 C GLU A 72 11.750 -1.230 -8.312 1.00 0.00 C ATOM 1079 O GLU A 72 11.018 -0.278 -8.580 1.00 0.00 O ATOM 1080 CB GLU A 72 10.173 -2.890 -7.213 1.00 0.00 C ATOM 1081 CG GLU A 72 10.184 -3.754 -8.476 1.00 0.00 C ATOM 1082 CD GLU A 72 9.021 -4.763 -8.489 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.891 -4.399 -8.888 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.229 -5.940 -8.118 1.00 0.00 O ATOM 0 H GLU A 72 10.985 -0.263 -6.178 1.00 0.00 H new ATOM 0 HA GLU A 72 12.302 -2.773 -6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.042 -3.526 -6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.321 -2.211 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.119 -3.113 -9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.131 -4.290 -8.541 1.00 0.00 H new ATOM 1091 N CYS A 73 12.799 -1.554 -9.073 1.00 0.00 N ATOM 1092 CA CYS A 73 13.039 -0.972 -10.388 1.00 0.00 C ATOM 1093 C CYS A 73 11.930 -1.470 -11.325 1.00 0.00 C ATOM 1094 O CYS A 73 11.822 -2.669 -11.593 1.00 0.00 O ATOM 1095 CB CYS A 73 14.445 -1.335 -10.904 1.00 0.00 C ATOM 1096 SG CYS A 73 14.875 -3.060 -10.510 1.00 0.00 S ATOM 0 H CYS A 73 13.507 -2.231 -8.789 1.00 0.00 H new ATOM 0 HA CYS A 73 13.010 0.117 -10.339 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.488 -1.186 -11.983 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.181 -0.665 -10.460 1.00 0.00 H new ATOM 0 HG CYS A 73 15.508 -3.590 -11.514 1.00 0.00 H new ATOM 1102 N LEU A 74 11.090 -0.558 -11.815 1.00 0.00 N ATOM 1103 CA LEU A 74 10.062 -0.881 -12.801 1.00 0.00 C ATOM 1104 C LEU A 74 10.698 -1.155 -14.167 1.00 0.00 C ATOM 1105 O LEU A 74 10.132 -1.890 -14.976 1.00 0.00 O ATOM 1106 CB LEU A 74 9.050 0.271 -12.914 1.00 0.00 C ATOM 1107 CG LEU A 74 8.259 0.579 -11.626 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.201 1.641 -11.935 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.566 -0.653 -11.030 1.00 0.00 C ATOM 0 H LEU A 74 11.104 0.424 -11.539 1.00 0.00 H new ATOM 0 HA LEU A 74 9.539 -1.779 -12.472 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.582 1.172 -13.219 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.342 0.035 -13.708 1.00 0.00 H new ATOM 0 HG LEU A 74 8.978 0.931 -10.886 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.636 1.866 -11.030 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.689 2.548 -12.293 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.523 1.267 -12.702 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.028 -0.366 -10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.864 -1.062 -11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.313 -1.407 -10.783 1.00 0.00 H new ATOM 1121 N GLY A 75 11.870 -0.571 -14.422 1.00 0.00 N ATOM 1122 CA GLY A 75 12.645 -0.718 -15.639 1.00 0.00 C ATOM 1123 C GLY A 75 13.744 0.336 -15.634 1.00 0.00 C ATOM 1124 O GLY A 75 13.951 1.028 -14.630 1.00 0.00 O ATOM 0 H GLY A 75 12.320 0.047 -13.747 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.077 -1.717 -15.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.006 -0.597 -16.514 1.00 0.00 H new ATOM 1128 N GLY A 76 14.412 0.509 -16.769 1.00 0.00 N ATOM 1129 CA GLY A 76 15.390 1.565 -16.963 1.00 0.00 C ATOM 1130 C GLY A 76 15.643 1.781 -18.446 1.00 0.00 C ATOM 1131 O GLY A 76 14.953 1.208 -19.294 1.00 0.00 O ATOM 0 H GLY A 76 14.286 -0.088 -17.587 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.032 2.489 -16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.322 1.304 -16.462 1.00 0.00 H new ATOM 1135 N GLY A 77 16.640 2.607 -18.747 1.00 0.00 N ATOM 1136 CA GLY A 77 16.987 3.030 -20.091 1.00 0.00 C ATOM 1137 C GLY A 77 18.239 3.895 -20.032 1.00 0.00 C ATOM 1138 O GLY A 77 18.904 3.968 -18.992 1.00 0.00 O ATOM 0 H GLY A 77 17.247 3.012 -18.034 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.160 2.161 -20.726 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.163 3.590 -20.534 1.00 0.00 H new ATOM 1142 N ARG A 78 18.568 4.570 -21.128 1.00 0.00 N ATOM 1143 CA ARG A 78 19.745 5.422 -21.231 1.00 0.00 C ATOM 1144 C ARG A 78 19.280 6.839 -21.530 1.00 0.00 C ATOM 1145 O ARG A 78 18.184 7.040 -22.063 1.00 0.00 O ATOM 1146 CB ARG A 78 20.695 4.822 -22.284 1.00 0.00 C ATOM 1147 CG ARG A 78 22.069 5.511 -22.348 1.00 0.00 C ATOM 1148 CD ARG A 78 23.044 4.778 -23.277 1.00 0.00 C ATOM 1149 NE ARG A 78 22.595 4.796 -24.681 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.290 3.736 -25.442 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.345 2.493 -24.975 1.00 0.00 N ATOM 1152 NH2 ARG A 78 21.922 3.929 -26.697 1.00 0.00 N ATOM 0 H ARG A 78 18.014 4.539 -21.984 1.00 0.00 H new ATOM 0 HA ARG A 78 20.314 5.471 -20.303 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.840 3.764 -22.067 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.222 4.885 -23.264 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.943 6.537 -22.694 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.494 5.562 -21.346 1.00 0.00 H new ATOM 0 HD2 ARG A 78 24.028 5.241 -23.206 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.153 3.745 -22.945 1.00 0.00 H new ATOM 0 HE ARG A 78 22.507 5.713 -25.120 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.626 2.323 -24.009 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.106 1.709 -25.582 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.873 4.875 -27.074 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.687 3.132 -27.288 1.00 0.00 H new ATOM 1166 N ILE A 79 20.100 7.816 -21.161 1.00 0.00 N ATOM 1167 CA ILE A 79 19.814 9.229 -21.286 1.00 0.00 C ATOM 1168 C ILE A 79 21.009 9.850 -21.997 1.00 0.00 C ATOM 1169 O ILE A 79 22.159 9.584 -21.633 1.00 0.00 O ATOM 1170 CB ILE A 79 19.519 9.846 -19.896 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.196 9.246 -19.364 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.426 11.386 -19.978 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.629 9.864 -18.079 1.00 0.00 C ATOM 0 H ILE A 79 21.016 7.632 -20.752 1.00 0.00 H new ATOM 0 HA ILE A 79 18.916 9.422 -21.872 1.00 0.00 H new ATOM 0 HB ILE A 79 20.335 9.609 -19.213 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.442 9.336 -20.146 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.350 8.181 -19.191 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.218 11.791 -18.988 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.371 11.789 -20.344 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.624 11.666 -20.660 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.702 9.358 -17.810 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.352 9.751 -17.271 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.430 10.923 -18.242 1.00 0.00 H new ATOM 1185 N SER A 80 20.723 10.686 -22.992 1.00 0.00 N ATOM 1186 CA SER A 80 21.715 11.309 -23.854 1.00 0.00 C ATOM 1187 C SER A 80 21.278 12.742 -24.142 1.00 0.00 C ATOM 1188 O SER A 80 20.087 12.993 -24.333 1.00 0.00 O ATOM 1189 CB SER A 80 21.814 10.522 -25.172 1.00 0.00 C ATOM 1190 OG SER A 80 22.091 9.148 -24.952 1.00 0.00 O ATOM 0 H SER A 80 19.767 10.954 -23.225 1.00 0.00 H new ATOM 0 HA SER A 80 22.690 11.310 -23.366 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.879 10.619 -25.723 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.597 10.954 -25.794 1.00 0.00 H new ATOM 0 HG SER A 80 22.144 8.683 -25.813 1.00 0.00 H new ATOM 1196 N HIS A 81 22.226 13.679 -24.170 1.00 0.00 N ATOM 1197 CA HIS A 81 21.996 15.041 -24.643 1.00 0.00 C ATOM 1198 C HIS A 81 21.690 15.027 -26.146 1.00 0.00 C ATOM 1199 O HIS A 81 22.132 14.121 -26.860 1.00 0.00 O ATOM 1200 CB HIS A 81 23.227 15.911 -24.327 1.00 0.00 C ATOM 1201 CG HIS A 81 24.562 15.324 -24.739 1.00 0.00 C ATOM 1202 ND1 HIS A 81 24.816 14.514 -25.826 1.00 0.00 N ATOM 1203 CD2 HIS A 81 25.750 15.479 -24.073 1.00 0.00 C ATOM 1204 CE1 HIS A 81 26.120 14.190 -25.813 1.00 0.00 C ATOM 1205 NE2 HIS A 81 26.737 14.755 -24.758 1.00 0.00 N ATOM 0 H HIS A 81 23.184 13.511 -23.862 1.00 0.00 H new ATOM 0 HA HIS A 81 21.135 15.470 -24.130 1.00 0.00 H new ATOM 0 HB2 HIS A 81 23.106 16.875 -24.821 1.00 0.00 H new ATOM 0 HB3 HIS A 81 23.249 16.103 -23.254 1.00 0.00 H new ATOM 0 HD1 HIS A 81 24.132 14.213 -26.520 1.00 0.00 H new ATOM 0 HD2 HIS A 81 25.900 16.059 -23.175 1.00 0.00 H new ATOM 0 HE1 HIS A 81 26.606 13.564 -26.547 1.00 0.00 H new ATOM 1213 N GLN A 82 21.009 16.063 -26.639 1.00 0.00 N ATOM 1214 CA GLN A 82 20.743 16.265 -28.060 1.00 0.00 C ATOM 1215 C GLN A 82 21.342 17.618 -28.411 1.00 0.00 C ATOM 1216 O GLN A 82 20.675 18.641 -28.272 1.00 0.00 O ATOM 1217 CB GLN A 82 19.236 16.210 -28.371 1.00 0.00 C ATOM 1218 CG GLN A 82 18.601 14.850 -28.053 1.00 0.00 C ATOM 1219 CD GLN A 82 17.084 14.880 -28.250 1.00 0.00 C ATOM 1220 OE1 GLN A 82 16.551 14.338 -29.215 1.00 0.00 O ATOM 1221 NE2 GLN A 82 16.362 15.492 -27.327 1.00 0.00 N ATOM 0 H GLN A 82 20.620 16.798 -26.048 1.00 0.00 H new ATOM 0 HA GLN A 82 21.189 15.472 -28.659 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.725 16.985 -27.799 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.081 16.438 -29.426 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.037 14.085 -28.695 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.830 14.572 -27.024 1.00 0.00 H new ATOM 0 HE21 GLN A 82 16.821 15.937 -26.532 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.346 15.519 -27.410 1.00 0.00 H new ATOM 1230 N SER A 83 22.615 17.646 -28.805 1.00 0.00 N ATOM 1231 CA SER A 83 23.397 18.861 -29.041 1.00 0.00 C ATOM 1232 C SER A 83 22.746 19.848 -30.030 1.00 0.00 C ATOM 1233 O SER A 83 23.110 21.025 -30.053 1.00 0.00 O ATOM 1234 CB SER A 83 24.793 18.444 -29.524 1.00 0.00 C ATOM 1235 OG SER A 83 25.299 17.368 -28.741 1.00 0.00 O ATOM 0 H SER A 83 23.149 16.794 -28.975 1.00 0.00 H new ATOM 0 HA SER A 83 23.453 19.407 -28.099 1.00 0.00 H new ATOM 0 HB2 SER A 83 24.746 18.147 -30.572 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.472 19.294 -29.464 1.00 0.00 H new ATOM 0 HG SER A 83 26.189 17.117 -29.066 1.00 0.00 H new ATOM 1241 N GLN A 84 21.768 19.389 -30.819 1.00 0.00 N ATOM 1242 CA GLN A 84 20.942 20.200 -31.701 1.00 0.00 C ATOM 1243 C GLN A 84 20.177 21.280 -30.918 1.00 0.00 C ATOM 1244 O GLN A 84 19.987 22.382 -31.435 1.00 0.00 O ATOM 1245 CB GLN A 84 19.937 19.299 -32.447 1.00 0.00 C ATOM 1246 CG GLN A 84 20.557 18.232 -33.371 1.00 0.00 C ATOM 1247 CD GLN A 84 21.182 17.021 -32.664 1.00 0.00 C ATOM 1248 OE1 GLN A 84 20.938 16.750 -31.490 1.00 0.00 O ATOM 1249 NE2 GLN A 84 22.023 16.268 -33.354 1.00 0.00 N ATOM 0 H GLN A 84 21.525 18.399 -30.857 1.00 0.00 H new ATOM 0 HA GLN A 84 21.599 20.696 -32.415 1.00 0.00 H new ATOM 0 HB2 GLN A 84 19.311 18.796 -31.710 1.00 0.00 H new ATOM 0 HB3 GLN A 84 19.281 19.933 -33.043 1.00 0.00 H new ATOM 0 HG2 GLN A 84 19.784 17.874 -34.051 1.00 0.00 H new ATOM 0 HG3 GLN A 84 21.324 18.708 -33.982 1.00 0.00 H new ATOM 0 HE21 GLN A 84 22.226 16.492 -34.328 1.00 0.00 H new ATOM 0 HE22 GLN A 84 22.468 15.464 -32.912 1.00 0.00 H new ATOM 1258 N ASP A 85 19.734 20.981 -29.688 1.00 0.00 N ATOM 1259 CA ASP A 85 18.880 21.869 -28.883 1.00 0.00 C ATOM 1260 C ASP A 85 19.119 21.698 -27.371 1.00 0.00 C ATOM 1261 O ASP A 85 18.310 22.123 -26.553 1.00 0.00 O ATOM 1262 CB ASP A 85 17.404 21.622 -29.255 1.00 0.00 C ATOM 1263 CG ASP A 85 16.448 22.720 -28.748 1.00 0.00 C ATOM 1264 OD1 ASP A 85 16.780 23.925 -28.843 1.00 0.00 O ATOM 1265 OD2 ASP A 85 15.314 22.384 -28.335 1.00 0.00 O ATOM 0 H ASP A 85 19.961 20.105 -29.218 1.00 0.00 H new ATOM 0 HA ASP A 85 19.142 22.902 -29.111 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.318 21.550 -30.339 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.091 20.662 -28.846 1.00 0.00 H new ATOM 1270 N LYS A 86 20.224 21.049 -26.984 1.00 0.00 N ATOM 1271 CA LYS A 86 20.622 20.623 -25.635 1.00 0.00 C ATOM 1272 C LYS A 86 19.749 19.507 -25.050 1.00 0.00 C ATOM 1273 O LYS A 86 20.325 18.501 -24.627 1.00 0.00 O ATOM 1274 CB LYS A 86 20.748 21.826 -24.677 1.00 0.00 C ATOM 1275 CG LYS A 86 21.386 21.436 -23.333 1.00 0.00 C ATOM 1276 CD LYS A 86 21.359 22.619 -22.354 1.00 0.00 C ATOM 1277 CE LYS A 86 21.971 22.278 -20.986 1.00 0.00 C ATOM 1278 NZ LYS A 86 21.256 21.182 -20.285 1.00 0.00 N ATOM 0 H LYS A 86 20.929 20.784 -27.672 1.00 0.00 H new ATOM 0 HA LYS A 86 21.611 20.178 -25.745 1.00 0.00 H new ATOM 0 HB2 LYS A 86 21.348 22.603 -25.150 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.760 22.251 -24.498 1.00 0.00 H new ATOM 0 HG2 LYS A 86 20.850 20.590 -22.903 1.00 0.00 H new ATOM 0 HG3 LYS A 86 22.415 21.114 -23.493 1.00 0.00 H new ATOM 0 HD2 LYS A 86 21.902 23.457 -22.790 1.00 0.00 H new ATOM 0 HD3 LYS A 86 20.328 22.945 -22.214 1.00 0.00 H new ATOM 0 HE2 LYS A 86 23.015 21.994 -21.122 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.962 23.169 -20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 21.603 21.111 -19.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 20.236 21.383 -20.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.428 20.283 -20.779 1.00 0.00 H new ATOM 1292 N LYS A 87 18.416 19.678 -25.023 1.00 0.00 N ATOM 1293 CA LYS A 87 17.439 18.831 -24.314 1.00 0.00 C ATOM 1294 C LYS A 87 17.862 17.368 -24.287 1.00 0.00 C ATOM 1295 O LYS A 87 17.996 16.769 -25.358 1.00 0.00 O ATOM 1296 CB LYS A 87 16.036 18.916 -24.952 1.00 0.00 C ATOM 1297 CG LYS A 87 15.182 20.131 -24.559 1.00 0.00 C ATOM 1298 CD LYS A 87 15.738 21.463 -25.060 1.00 0.00 C ATOM 1299 CE LYS A 87 14.759 22.643 -24.972 1.00 0.00 C ATOM 1300 NZ LYS A 87 13.736 22.611 -26.046 1.00 0.00 N ATOM 0 H LYS A 87 17.968 20.448 -25.519 1.00 0.00 H new ATOM 0 HA LYS A 87 17.403 19.216 -23.295 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.152 18.916 -26.036 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.486 18.012 -24.690 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.174 19.998 -24.952 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.098 20.168 -23.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.632 21.707 -24.486 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.049 21.344 -26.098 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.263 22.629 -24.001 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.315 23.578 -25.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.265 23.537 -26.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.194 22.397 -26.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.031 21.877 -25.832 1.00 0.00 H new ATOM 1314 N ILE A 88 18.045 16.775 -23.103 1.00 0.00 N ATOM 1315 CA ILE A 88 18.280 15.337 -23.039 1.00 0.00 C ATOM 1316 C ILE A 88 17.076 14.560 -23.597 1.00 0.00 C ATOM 1317 O ILE A 88 15.973 15.091 -23.759 1.00 0.00 O ATOM 1318 CB ILE A 88 18.764 14.828 -21.657 1.00 0.00 C ATOM 1319 CG1 ILE A 88 17.690 14.672 -20.558 1.00 0.00 C ATOM 1320 CG2 ILE A 88 19.978 15.617 -21.138 1.00 0.00 C ATOM 1321 CD1 ILE A 88 17.021 15.962 -20.081 1.00 0.00 C ATOM 0 H ILE A 88 18.035 17.255 -22.203 1.00 0.00 H new ATOM 0 HA ILE A 88 19.129 15.132 -23.691 1.00 0.00 H new ATOM 0 HB ILE A 88 19.066 13.804 -21.875 1.00 0.00 H new ATOM 0 HG12 ILE A 88 16.915 14.001 -20.929 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.148 14.185 -19.697 1.00 0.00 H new ATOM 0 HG21 ILE A 88 20.280 15.223 -20.167 1.00 0.00 H new ATOM 0 HG22 ILE A 88 20.804 15.519 -21.842 1.00 0.00 H new ATOM 0 HG23 ILE A 88 19.712 16.669 -21.036 1.00 0.00 H new ATOM 0 HD11 ILE A 88 16.287 15.728 -19.310 1.00 0.00 H new ATOM 0 HD12 ILE A 88 17.776 16.633 -19.671 1.00 0.00 H new ATOM 0 HD13 ILE A 88 16.523 16.446 -20.921 1.00 0.00 H new ATOM 1333 N HIS A 89 17.301 13.279 -23.866 1.00 0.00 N ATOM 1334 CA HIS A 89 16.342 12.330 -24.399 1.00 0.00 C ATOM 1335 C HIS A 89 16.467 11.055 -23.568 1.00 0.00 C ATOM 1336 O HIS A 89 17.566 10.757 -23.097 1.00 0.00 O ATOM 1337 CB HIS A 89 16.695 12.073 -25.868 1.00 0.00 C ATOM 1338 CG HIS A 89 15.658 11.294 -26.632 1.00 0.00 C ATOM 1339 ND1 HIS A 89 15.569 9.926 -26.728 1.00 0.00 N ATOM 1340 CD2 HIS A 89 14.675 11.818 -27.427 1.00 0.00 C ATOM 1341 CE1 HIS A 89 14.549 9.636 -27.552 1.00 0.00 C ATOM 1342 NE2 HIS A 89 13.961 10.758 -28.000 1.00 0.00 N ATOM 0 H HIS A 89 18.214 12.854 -23.707 1.00 0.00 H new ATOM 0 HA HIS A 89 15.317 12.697 -24.350 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.850 13.031 -26.364 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.641 11.534 -25.912 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.483 12.869 -27.585 1.00 0.00 H new ATOM 0 HE1 HIS A 89 14.243 8.635 -27.819 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.160 10.824 -28.628 1.00 0.00 H new ATOM 1350 N VAL A 90 15.382 10.298 -23.409 1.00 0.00 N ATOM 1351 CA VAL A 90 15.320 9.103 -22.571 1.00 0.00 C ATOM 1352 C VAL A 90 14.815 7.968 -23.465 1.00 0.00 C ATOM 1353 O VAL A 90 13.762 8.101 -24.091 1.00 0.00 O ATOM 1354 CB VAL A 90 14.387 9.348 -21.362 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.526 8.219 -20.334 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.638 10.688 -20.649 1.00 0.00 C ATOM 0 H VAL A 90 14.498 10.506 -23.873 1.00 0.00 H new ATOM 0 HA VAL A 90 16.296 8.846 -22.159 1.00 0.00 H new ATOM 0 HB VAL A 90 13.379 9.376 -21.776 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.861 8.410 -19.491 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.259 7.269 -20.798 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.556 8.174 -19.981 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.947 10.790 -19.812 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.663 10.717 -20.279 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.482 11.508 -21.350 1.00 0.00 H new ATOM 1366 N TYR A 91 15.579 6.886 -23.611 1.00 0.00 N ATOM 1367 CA TYR A 91 15.287 5.854 -24.604 1.00 0.00 C ATOM 1368 C TYR A 91 15.980 4.534 -24.264 1.00 0.00 C ATOM 1369 O TYR A 91 16.645 4.423 -23.231 1.00 0.00 O ATOM 1370 CB TYR A 91 15.663 6.359 -26.011 1.00 0.00 C ATOM 1371 CG TYR A 91 17.132 6.373 -26.416 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.142 6.817 -25.538 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.484 5.975 -27.721 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.484 6.850 -25.948 1.00 0.00 C ATOM 1375 CE2 TYR A 91 18.821 6.034 -28.152 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.829 6.481 -27.267 1.00 0.00 C ATOM 1377 OH TYR A 91 21.130 6.559 -27.673 1.00 0.00 O ATOM 0 H TYR A 91 16.410 6.701 -23.050 1.00 0.00 H new ATOM 0 HA TYR A 91 14.216 5.651 -24.591 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.126 5.747 -26.736 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.284 7.376 -26.109 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.880 7.135 -24.540 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.719 5.621 -28.397 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.253 7.158 -25.255 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.078 5.738 -29.158 1.00 0.00 H new ATOM 0 HH TYR A 91 21.199 6.269 -28.606 1.00 0.00 H new ATOM 1387 N GLY A 92 15.847 3.538 -25.142 1.00 0.00 N ATOM 1388 CA GLY A 92 16.424 2.221 -24.929 1.00 0.00 C ATOM 1389 C GLY A 92 15.660 1.453 -23.854 1.00 0.00 C ATOM 1390 O GLY A 92 14.491 1.736 -23.575 1.00 0.00 O ATOM 0 H GLY A 92 15.335 3.628 -26.019 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.408 1.659 -25.863 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.469 2.322 -24.635 1.00 0.00 H new ATOM 1394 N TYR A 93 16.321 0.453 -23.276 1.00 0.00 N ATOM 1395 CA TYR A 93 15.781 -0.418 -22.246 1.00 0.00 C ATOM 1396 C TYR A 93 16.930 -0.855 -21.341 1.00 0.00 C ATOM 1397 O TYR A 93 18.076 -0.920 -21.799 1.00 0.00 O ATOM 1398 CB TYR A 93 15.105 -1.641 -22.895 1.00 0.00 C ATOM 1399 CG TYR A 93 16.017 -2.580 -23.671 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.432 -2.257 -24.979 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.440 -3.791 -23.089 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.286 -3.121 -25.689 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.292 -4.660 -23.792 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.725 -4.327 -25.095 1.00 0.00 C ATOM 1405 OH TYR A 93 18.551 -5.180 -25.763 1.00 0.00 O ATOM 0 H TYR A 93 17.283 0.222 -23.524 1.00 0.00 H new ATOM 0 HA TYR A 93 15.030 0.109 -21.657 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.610 -2.214 -22.112 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.327 -1.284 -23.570 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.092 -1.341 -25.439 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.107 -4.054 -22.096 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.606 -2.863 -26.688 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.616 -5.584 -23.336 1.00 0.00 H new ATOM 0 HH TYR A 93 18.747 -5.956 -25.197 1.00 0.00 H new ATOM 1415 N SER A 94 16.647 -1.161 -20.073 1.00 0.00 N ATOM 1416 CA SER A 94 17.646 -1.789 -19.222 1.00 0.00 C ATOM 1417 C SER A 94 17.720 -3.263 -19.611 1.00 0.00 C ATOM 1418 O SER A 94 16.689 -3.933 -19.679 1.00 0.00 O ATOM 1419 CB SER A 94 17.341 -1.569 -17.733 1.00 0.00 C ATOM 1420 OG SER A 94 16.165 -2.212 -17.282 1.00 0.00 O ATOM 0 H SER A 94 15.748 -0.986 -19.623 1.00 0.00 H new ATOM 0 HA SER A 94 18.624 -1.332 -19.374 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.186 -1.926 -17.144 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.251 -0.499 -17.546 1.00 0.00 H new ATOM 0 HG SER A 94 15.423 -1.996 -17.884 1.00 0.00 H new ATOM 1426 N MET A 95 18.920 -3.798 -19.844 1.00 0.00 N ATOM 1427 CA MET A 95 19.067 -5.235 -20.077 1.00 0.00 C ATOM 1428 C MET A 95 18.668 -6.029 -18.822 1.00 0.00 C ATOM 1429 O MET A 95 18.224 -7.173 -18.932 1.00 0.00 O ATOM 1430 CB MET A 95 20.504 -5.569 -20.509 1.00 0.00 C ATOM 1431 CG MET A 95 20.848 -4.953 -21.873 1.00 0.00 C ATOM 1432 SD MET A 95 22.528 -5.294 -22.476 1.00 0.00 S ATOM 1433 CE MET A 95 22.396 -7.063 -22.864 1.00 0.00 C ATOM 0 H MET A 95 19.791 -3.268 -19.876 1.00 0.00 H new ATOM 0 HA MET A 95 18.397 -5.525 -20.886 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.204 -5.202 -19.758 1.00 0.00 H new ATOM 0 HB3 MET A 95 20.627 -6.651 -20.558 1.00 0.00 H new ATOM 0 HG2 MET A 95 20.134 -5.320 -22.610 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.714 -3.873 -21.810 1.00 0.00 H new ATOM 0 HE1 MET A 95 23.314 -7.399 -23.345 1.00 0.00 H new ATOM 0 HE2 MET A 95 22.241 -7.627 -21.944 1.00 0.00 H new ATOM 0 HE3 MET A 95 21.553 -7.226 -23.536 1.00 0.00 H new ATOM 1443 N ALA A 96 18.814 -5.425 -17.635 1.00 0.00 N ATOM 1444 CA ALA A 96 18.532 -6.070 -16.362 1.00 0.00 C ATOM 1445 C ALA A 96 17.034 -6.140 -16.040 1.00 0.00 C ATOM 1446 O ALA A 96 16.598 -7.163 -15.506 1.00 0.00 O ATOM 1447 CB ALA A 96 19.269 -5.318 -15.248 1.00 0.00 C ATOM 0 H ALA A 96 19.136 -4.462 -17.539 1.00 0.00 H new ATOM 0 HA ALA A 96 18.882 -7.100 -16.433 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.063 -5.795 -14.290 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.341 -5.340 -15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.927 -4.283 -15.219 1.00 0.00 H new ATOM 1453 N TYR A 97 16.243 -5.103 -16.365 1.00 0.00 N ATOM 1454 CA TYR A 97 14.857 -4.982 -15.889 1.00 0.00 C ATOM 1455 C TYR A 97 13.855 -4.569 -16.978 1.00 0.00 C ATOM 1456 O TYR A 97 12.669 -4.406 -16.680 1.00 0.00 O ATOM 1457 CB TYR A 97 14.818 -4.000 -14.701 1.00 0.00 C ATOM 1458 CG TYR A 97 15.858 -4.257 -13.621 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.815 -5.450 -12.874 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.882 -3.318 -13.383 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.799 -5.717 -11.907 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.865 -3.574 -12.409 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.831 -4.782 -11.671 1.00 0.00 C ATOM 1464 OH TYR A 97 18.783 -5.065 -10.738 1.00 0.00 O ATOM 0 H TYR A 97 16.545 -4.332 -16.960 1.00 0.00 H new ATOM 0 HA TYR A 97 14.537 -5.975 -15.573 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.953 -2.987 -15.081 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.828 -4.041 -14.248 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.022 -6.163 -13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.912 -2.399 -13.950 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.766 -6.638 -11.344 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.645 -2.850 -12.225 1.00 0.00 H new ATOM 0 HH TYR A 97 19.425 -4.326 -10.691 1.00 0.00 H new ATOM 1474 N GLY A 98 14.288 -4.426 -18.233 1.00 0.00 N ATOM 1475 CA GLY A 98 13.433 -4.056 -19.353 1.00 0.00 C ATOM 1476 C GLY A 98 13.280 -2.538 -19.482 1.00 0.00 C ATOM 1477 O GLY A 98 13.906 -1.776 -18.732 1.00 0.00 O ATOM 0 H GLY A 98 15.262 -4.568 -18.500 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.851 -4.458 -20.276 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.450 -4.510 -19.224 1.00 0.00 H new ATOM 1481 N PRO A 99 12.491 -2.069 -20.464 1.00 0.00 N ATOM 1482 CA PRO A 99 12.240 -0.652 -20.658 1.00 0.00 C ATOM 1483 C PRO A 99 11.345 -0.118 -19.541 1.00 0.00 C ATOM 1484 O PRO A 99 10.328 -0.726 -19.191 1.00 0.00 O ATOM 1485 CB PRO A 99 11.563 -0.533 -22.027 1.00 0.00 C ATOM 1486 CG PRO A 99 10.876 -1.886 -22.214 1.00 0.00 C ATOM 1487 CD PRO A 99 11.778 -2.862 -21.459 1.00 0.00 C ATOM 0 HA PRO A 99 13.157 -0.064 -20.627 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.845 0.287 -22.048 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.289 -0.341 -22.817 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.865 -1.880 -21.808 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.795 -2.151 -23.268 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.190 -3.647 -20.983 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.475 -3.353 -22.138 1.00 0.00 H new ATOM 1495 N ALA A 100 11.724 1.030 -18.985 1.00 0.00 N ATOM 1496 CA ALA A 100 10.872 1.778 -18.075 1.00 0.00 C ATOM 1497 C ALA A 100 9.767 2.495 -18.860 1.00 0.00 C ATOM 1498 O ALA A 100 9.831 2.623 -20.087 1.00 0.00 O ATOM 1499 CB ALA A 100 11.723 2.833 -17.376 1.00 0.00 C ATOM 0 H ALA A 100 12.631 1.465 -19.155 1.00 0.00 H new ATOM 0 HA ALA A 100 10.423 1.094 -17.355 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.101 3.405 -16.688 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.524 2.345 -16.820 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.154 3.504 -18.119 1.00 0.00 H new ATOM 1505 N GLN A 101 8.769 3.012 -18.140 1.00 0.00 N ATOM 1506 CA GLN A 101 7.786 3.920 -18.708 1.00 0.00 C ATOM 1507 C GLN A 101 8.458 5.293 -18.738 1.00 0.00 C ATOM 1508 O GLN A 101 8.268 6.098 -17.828 1.00 0.00 O ATOM 1509 CB GLN A 101 6.495 3.959 -17.873 1.00 0.00 C ATOM 1510 CG GLN A 101 5.682 2.664 -17.874 1.00 0.00 C ATOM 1511 CD GLN A 101 5.280 2.208 -19.278 1.00 0.00 C ATOM 1512 OE1 GLN A 101 5.844 1.266 -19.831 1.00 0.00 O ATOM 1513 NE2 GLN A 101 4.311 2.865 -19.896 1.00 0.00 N ATOM 0 H GLN A 101 8.625 2.810 -17.151 1.00 0.00 H new ATOM 0 HA GLN A 101 7.485 3.594 -19.704 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.754 4.206 -16.843 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.864 4.766 -18.246 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.264 1.876 -17.396 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.783 2.806 -17.273 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.847 3.646 -19.431 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.028 2.591 -20.837 1.00 0.00 H new ATOM 1522 N HIS A 102 9.276 5.567 -19.754 1.00 0.00 N ATOM 1523 CA HIS A 102 9.998 6.836 -19.866 1.00 0.00 C ATOM 1524 C HIS A 102 9.052 8.049 -19.908 1.00 0.00 C ATOM 1525 O HIS A 102 9.488 9.163 -19.626 1.00 0.00 O ATOM 1526 CB HIS A 102 10.937 6.797 -21.075 1.00 0.00 C ATOM 1527 CG HIS A 102 11.843 5.591 -21.069 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.779 4.480 -21.884 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.798 5.336 -20.128 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.672 3.586 -21.423 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.341 4.074 -20.370 1.00 0.00 N ATOM 0 H HIS A 102 9.457 4.919 -20.520 1.00 0.00 H new ATOM 0 HA HIS A 102 10.599 6.962 -18.966 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.345 6.797 -21.990 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.544 7.702 -21.088 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.086 6.002 -19.328 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.829 2.605 -21.846 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.092 3.617 -19.852 1.00 0.00 H new ATOM 1539 N ALA A 103 7.760 7.838 -20.194 1.00 0.00 N ATOM 1540 CA ALA A 103 6.711 8.842 -20.056 1.00 0.00 C ATOM 1541 C ALA A 103 6.649 9.417 -18.628 1.00 0.00 C ATOM 1542 O ALA A 103 6.398 10.609 -18.448 1.00 0.00 O ATOM 1543 CB ALA A 103 5.368 8.194 -20.415 1.00 0.00 C ATOM 0 H ALA A 103 7.413 6.942 -20.535 1.00 0.00 H new ATOM 0 HA ALA A 103 6.932 9.671 -20.728 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.571 8.931 -20.317 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.402 7.831 -21.442 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.175 7.359 -19.741 1.00 0.00 H new ATOM 1549 N ILE A 104 6.871 8.576 -17.608 1.00 0.00 N ATOM 1550 CA ILE A 104 6.917 8.989 -16.207 1.00 0.00 C ATOM 1551 C ILE A 104 8.089 9.962 -16.048 1.00 0.00 C ATOM 1552 O ILE A 104 7.926 11.049 -15.490 1.00 0.00 O ATOM 1553 CB ILE A 104 7.078 7.751 -15.283 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.997 6.665 -15.487 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.140 8.158 -13.801 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.600 6.997 -14.959 1.00 0.00 C ATOM 0 H ILE A 104 7.025 7.576 -17.740 1.00 0.00 H new ATOM 0 HA ILE A 104 5.988 9.482 -15.919 1.00 0.00 H new ATOM 0 HB ILE A 104 8.027 7.304 -15.578 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.919 6.455 -16.554 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.337 5.748 -15.005 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.253 7.267 -13.183 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.991 8.821 -13.641 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.221 8.675 -13.527 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.928 6.162 -15.159 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.650 7.174 -13.885 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.226 7.891 -15.457 1.00 0.00 H new ATOM 1568 N SER A 105 9.258 9.585 -16.572 1.00 0.00 N ATOM 1569 CA SER A 105 10.464 10.382 -16.504 1.00 0.00 C ATOM 1570 C SER A 105 10.266 11.742 -17.154 1.00 0.00 C ATOM 1571 O SER A 105 10.579 12.746 -16.524 1.00 0.00 O ATOM 1572 CB SER A 105 11.607 9.629 -17.178 1.00 0.00 C ATOM 1573 OG SER A 105 11.687 8.322 -16.647 1.00 0.00 O ATOM 0 H SER A 105 9.385 8.700 -17.062 1.00 0.00 H new ATOM 0 HA SER A 105 10.709 10.553 -15.456 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.444 9.586 -18.255 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.548 10.156 -17.019 1.00 0.00 H new ATOM 0 HG SER A 105 12.276 8.323 -15.864 1.00 0.00 H new ATOM 1579 N THR A 106 9.739 11.802 -18.379 1.00 0.00 N ATOM 1580 CA THR A 106 9.571 13.070 -19.077 1.00 0.00 C ATOM 1581 C THR A 106 8.665 14.022 -18.294 1.00 0.00 C ATOM 1582 O THR A 106 9.025 15.185 -18.125 1.00 0.00 O ATOM 1583 CB THR A 106 9.105 12.857 -20.529 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.088 11.883 -20.635 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.270 12.388 -21.402 1.00 0.00 C ATOM 0 H THR A 106 9.423 10.987 -18.904 1.00 0.00 H new ATOM 0 HA THR A 106 10.546 13.553 -19.137 1.00 0.00 H new ATOM 0 HB THR A 106 8.719 13.820 -20.863 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.660 11.760 -19.762 1.00 0.00 H new ATOM 0 HG21 THR A 106 9.923 12.242 -22.425 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.059 13.140 -21.390 1.00 0.00 H new ATOM 0 HG23 THR A 106 10.660 11.447 -21.014 1.00 0.00 H new ATOM 1593 N GLU A 107 7.540 13.541 -17.752 1.00 0.00 N ATOM 1594 CA GLU A 107 6.637 14.383 -16.978 1.00 0.00 C ATOM 1595 C GLU A 107 7.346 14.915 -15.728 1.00 0.00 C ATOM 1596 O GLU A 107 7.320 16.120 -15.465 1.00 0.00 O ATOM 1597 CB GLU A 107 5.370 13.596 -16.598 1.00 0.00 C ATOM 1598 CG GLU A 107 4.420 13.367 -17.785 1.00 0.00 C ATOM 1599 CD GLU A 107 3.754 14.669 -18.267 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.754 15.110 -17.656 1.00 0.00 O ATOM 1601 OE2 GLU A 107 4.208 15.256 -19.276 1.00 0.00 O ATOM 0 H GLU A 107 7.238 12.571 -17.839 1.00 0.00 H new ATOM 0 HA GLU A 107 6.339 15.235 -17.589 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.661 12.631 -16.182 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.838 14.134 -15.814 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.975 12.920 -18.610 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.648 12.653 -17.496 1.00 0.00 H new ATOM 1608 N LYS A 108 8.019 14.035 -14.977 1.00 0.00 N ATOM 1609 CA LYS A 108 8.700 14.422 -13.745 1.00 0.00 C ATOM 1610 C LYS A 108 9.844 15.389 -14.029 1.00 0.00 C ATOM 1611 O LYS A 108 9.941 16.418 -13.367 1.00 0.00 O ATOM 1612 CB LYS A 108 9.214 13.173 -13.017 1.00 0.00 C ATOM 1613 CG LYS A 108 8.087 12.390 -12.334 1.00 0.00 C ATOM 1614 CD LYS A 108 8.638 11.099 -11.716 1.00 0.00 C ATOM 1615 CE LYS A 108 7.558 10.415 -10.869 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.524 10.953 -9.491 1.00 0.00 N ATOM 0 H LYS A 108 8.104 13.045 -15.207 1.00 0.00 H new ATOM 0 HA LYS A 108 7.985 14.936 -13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.723 12.524 -13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.952 13.468 -12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.625 13.004 -11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.309 12.151 -13.059 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.974 10.425 -12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.507 11.325 -11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.584 10.554 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.746 9.342 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.539 10.999 -9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.072 10.332 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.937 11.907 -9.481 1.00 0.00 H new ATOM 1630 N ILE A 109 10.703 15.097 -15.004 1.00 0.00 N ATOM 1631 CA ILE A 109 11.848 15.933 -15.348 1.00 0.00 C ATOM 1632 C ILE A 109 11.336 17.304 -15.811 1.00 0.00 C ATOM 1633 O ILE A 109 11.845 18.312 -15.330 1.00 0.00 O ATOM 1634 CB ILE A 109 12.735 15.205 -16.388 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.440 13.971 -15.765 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.809 16.110 -17.030 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.027 13.012 -16.813 1.00 0.00 C ATOM 0 H ILE A 109 10.621 14.262 -15.584 1.00 0.00 H new ATOM 0 HA ILE A 109 12.488 16.109 -14.483 1.00 0.00 H new ATOM 0 HB ILE A 109 12.046 14.893 -17.173 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.239 14.312 -15.107 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.726 13.428 -15.145 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.391 15.531 -17.747 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.325 16.942 -17.542 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.470 16.497 -16.254 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.505 12.172 -16.310 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.228 12.643 -17.456 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.765 13.540 -17.417 1.00 0.00 H new ATOM 1649 N LYS A 110 10.313 17.391 -16.675 1.00 0.00 N ATOM 1650 CA LYS A 110 9.805 18.702 -17.099 1.00 0.00 C ATOM 1651 C LYS A 110 9.266 19.494 -15.904 1.00 0.00 C ATOM 1652 O LYS A 110 9.492 20.703 -15.840 1.00 0.00 O ATOM 1653 CB LYS A 110 8.741 18.571 -18.205 1.00 0.00 C ATOM 1654 CG LYS A 110 9.357 18.143 -19.549 1.00 0.00 C ATOM 1655 CD LYS A 110 8.330 17.987 -20.679 1.00 0.00 C ATOM 1656 CE LYS A 110 7.707 19.333 -21.084 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.757 19.196 -22.217 1.00 0.00 N ATOM 0 H LYS A 110 9.832 16.590 -17.085 1.00 0.00 H new ATOM 0 HA LYS A 110 10.643 19.256 -17.521 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.990 17.841 -17.901 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.227 19.524 -18.329 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.103 18.880 -19.847 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.881 17.197 -19.413 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.812 17.535 -21.546 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.542 17.304 -20.361 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.188 19.763 -20.227 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.499 20.029 -21.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.363 20.129 -22.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.256 18.811 -23.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.986 18.553 -21.947 1.00 0.00 H new ATOM 1671 N ALA A 111 8.594 18.841 -14.948 1.00 0.00 N ATOM 1672 CA ALA A 111 8.082 19.507 -13.755 1.00 0.00 C ATOM 1673 C ALA A 111 9.217 19.986 -12.836 1.00 0.00 C ATOM 1674 O ALA A 111 9.195 21.129 -12.377 1.00 0.00 O ATOM 1675 CB ALA A 111 7.136 18.561 -13.003 1.00 0.00 C ATOM 0 H ALA A 111 8.393 17.842 -14.984 1.00 0.00 H new ATOM 0 HA ALA A 111 7.531 20.393 -14.070 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.755 19.060 -12.112 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.303 18.289 -13.651 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.678 17.661 -12.711 1.00 0.00 H new ATOM 1681 N LYS A 112 10.201 19.124 -12.549 1.00 0.00 N ATOM 1682 CA LYS A 112 11.283 19.406 -11.592 1.00 0.00 C ATOM 1683 C LYS A 112 12.388 20.272 -12.212 1.00 0.00 C ATOM 1684 O LYS A 112 13.196 20.843 -11.479 1.00 0.00 O ATOM 1685 CB LYS A 112 11.837 18.088 -11.007 1.00 0.00 C ATOM 1686 CG LYS A 112 11.034 17.557 -9.800 1.00 0.00 C ATOM 1687 CD LYS A 112 9.547 17.263 -10.078 1.00 0.00 C ATOM 1688 CE LYS A 112 8.799 16.667 -8.878 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.688 17.603 -7.728 1.00 0.00 N ATOM 0 H LYS A 112 10.271 18.201 -12.978 1.00 0.00 H new ATOM 0 HA LYS A 112 10.866 19.990 -10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.844 17.329 -11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.872 18.243 -10.703 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.508 16.643 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.099 18.286 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.054 18.187 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.474 16.574 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 112 7.799 16.370 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.312 15.762 -8.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.173 17.140 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.640 17.868 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.173 18.457 -8.024 1.00 0.00 H new ATOM 1703 N TYR A 113 12.411 20.394 -13.540 1.00 0.00 N ATOM 1704 CA TYR A 113 13.321 21.222 -14.320 1.00 0.00 C ATOM 1705 C TYR A 113 14.832 20.932 -14.114 1.00 0.00 C ATOM 1706 O TYR A 113 15.602 21.889 -13.991 1.00 0.00 O ATOM 1707 CB TYR A 113 12.904 22.696 -14.120 1.00 0.00 C ATOM 1708 CG TYR A 113 13.249 23.653 -15.246 1.00 0.00 C ATOM 1709 CD1 TYR A 113 12.432 23.701 -16.392 1.00 0.00 C ATOM 1710 CD2 TYR A 113 14.327 24.552 -15.118 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.679 24.649 -17.399 1.00 0.00 C ATOM 1712 CE2 TYR A 113 14.587 25.498 -16.125 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.755 25.557 -17.268 1.00 0.00 C ATOM 1714 OH TYR A 113 13.970 26.487 -18.239 1.00 0.00 O ATOM 0 H TYR A 113 11.754 19.885 -14.132 1.00 0.00 H new ATOM 0 HA TYR A 113 13.217 20.959 -15.373 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.826 22.728 -13.963 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.370 23.062 -13.205 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.612 23.006 -16.497 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.957 24.514 -14.241 1.00 0.00 H new ATOM 0 HE1 TYR A 113 12.047 24.684 -18.274 1.00 0.00 H new ATOM 0 HE2 TYR A 113 15.420 26.178 -16.026 1.00 0.00 H new ATOM 0 HH TYR A 113 14.720 26.204 -18.803 1.00 0.00 H new ATOM 1724 N PRO A 114 15.328 19.667 -14.053 1.00 0.00 N ATOM 1725 CA PRO A 114 16.774 19.409 -14.093 1.00 0.00 C ATOM 1726 C PRO A 114 17.430 19.940 -15.382 1.00 0.00 C ATOM 1727 O PRO A 114 18.625 20.238 -15.397 1.00 0.00 O ATOM 1728 CB PRO A 114 16.960 17.887 -14.024 1.00 0.00 C ATOM 1729 CG PRO A 114 15.620 17.362 -13.531 1.00 0.00 C ATOM 1730 CD PRO A 114 14.625 18.393 -14.052 1.00 0.00 C ATOM 0 HA PRO A 114 17.251 19.923 -13.259 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.214 17.473 -15.000 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.767 17.616 -13.343 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.410 16.367 -13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.592 17.290 -12.444 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.285 18.135 -15.055 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.740 18.437 -13.417 1.00 0.00 H new ATOM 1738 N ASP A 115 16.650 20.045 -16.462 1.00 0.00 N ATOM 1739 CA ASP A 115 17.026 20.562 -17.775 1.00 0.00 C ATOM 1740 C ASP A 115 15.810 21.321 -18.324 1.00 0.00 C ATOM 1741 O ASP A 115 14.711 21.193 -17.773 1.00 0.00 O ATOM 1742 CB ASP A 115 17.434 19.402 -18.706 1.00 0.00 C ATOM 1743 CG ASP A 115 18.067 19.864 -20.030 1.00 0.00 C ATOM 1744 OD1 ASP A 115 18.511 21.033 -20.113 1.00 0.00 O ATOM 1745 OD2 ASP A 115 18.184 19.039 -20.963 1.00 0.00 O ATOM 0 H ASP A 115 15.674 19.750 -16.437 1.00 0.00 H new ATOM 0 HA ASP A 115 17.884 21.231 -17.707 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.140 18.758 -18.181 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.554 18.798 -18.926 1.00 0.00 H new ATOM 1750 N TYR A 116 15.995 22.115 -19.381 1.00 0.00 N ATOM 1751 CA TYR A 116 14.971 23.006 -19.929 1.00 0.00 C ATOM 1752 C TYR A 116 13.692 22.253 -20.319 1.00 0.00 C ATOM 1753 O TYR A 116 12.588 22.767 -20.139 1.00 0.00 O ATOM 1754 CB TYR A 116 15.527 23.744 -21.159 1.00 0.00 C ATOM 1755 CG TYR A 116 16.616 24.759 -20.859 1.00 0.00 C ATOM 1756 CD1 TYR A 116 17.970 24.373 -20.848 1.00 0.00 C ATOM 1757 CD2 TYR A 116 16.273 26.102 -20.607 1.00 0.00 C ATOM 1758 CE1 TYR A 116 18.977 25.315 -20.569 1.00 0.00 C ATOM 1759 CE2 TYR A 116 17.273 27.050 -20.328 1.00 0.00 C ATOM 1760 CZ TYR A 116 18.631 26.661 -20.305 1.00 0.00 C ATOM 1761 OH TYR A 116 19.592 27.590 -20.034 1.00 0.00 O ATOM 0 H TYR A 116 16.878 22.157 -19.890 1.00 0.00 H new ATOM 0 HA TYR A 116 14.709 23.719 -19.147 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.921 23.007 -21.859 1.00 0.00 H new ATOM 0 HB3 TYR A 116 14.705 24.253 -21.661 1.00 0.00 H new ATOM 0 HD1 TYR A 116 18.237 23.347 -21.055 1.00 0.00 H new ATOM 0 HD2 TYR A 116 15.237 26.405 -20.628 1.00 0.00 H new ATOM 0 HE1 TYR A 116 20.013 25.011 -20.556 1.00 0.00 H new ATOM 0 HE2 TYR A 116 17.003 28.077 -20.131 1.00 0.00 H new ATOM 0 HH TYR A 116 19.170 28.461 -19.879 1.00 0.00 H new ATOM 1771 N GLU A 117 13.844 21.048 -20.871 1.00 0.00 N ATOM 1772 CA GLU A 117 12.796 20.165 -21.366 1.00 0.00 C ATOM 1773 C GLU A 117 13.478 18.801 -21.595 1.00 0.00 C ATOM 1774 O GLU A 117 14.699 18.683 -21.451 1.00 0.00 O ATOM 1775 CB GLU A 117 12.181 20.805 -22.635 1.00 0.00 C ATOM 1776 CG GLU A 117 11.202 19.956 -23.458 1.00 0.00 C ATOM 1777 CD GLU A 117 10.641 20.760 -24.642 1.00 0.00 C ATOM 1778 OE1 GLU A 117 11.432 21.142 -25.537 1.00 0.00 O ATOM 1779 OE2 GLU A 117 9.414 21.003 -24.690 1.00 0.00 O ATOM 0 H GLU A 117 14.770 20.638 -20.991 1.00 0.00 H new ATOM 0 HA GLU A 117 11.962 20.018 -20.680 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.664 21.716 -22.334 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.999 21.104 -23.290 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.709 19.064 -23.826 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.384 19.618 -22.822 1.00 0.00 H new ATOM 1786 N VAL A 118 12.717 17.764 -21.939 1.00 0.00 N ATOM 1787 CA VAL A 118 13.219 16.427 -22.233 1.00 0.00 C ATOM 1788 C VAL A 118 12.237 15.757 -23.205 1.00 0.00 C ATOM 1789 O VAL A 118 11.101 16.215 -23.355 1.00 0.00 O ATOM 1790 CB VAL A 118 13.419 15.673 -20.899 1.00 0.00 C ATOM 1791 CG1 VAL A 118 12.144 15.644 -20.052 1.00 0.00 C ATOM 1792 CG2 VAL A 118 13.969 14.250 -21.049 1.00 0.00 C ATOM 0 H VAL A 118 11.703 17.835 -22.023 1.00 0.00 H new ATOM 0 HA VAL A 118 14.192 16.435 -22.725 1.00 0.00 H new ATOM 0 HB VAL A 118 14.183 16.254 -20.383 1.00 0.00 H new ATOM 0 HG11 VAL A 118 12.335 15.103 -19.125 1.00 0.00 H new ATOM 0 HG12 VAL A 118 11.838 16.664 -19.820 1.00 0.00 H new ATOM 0 HG13 VAL A 118 11.350 15.144 -20.607 1.00 0.00 H new ATOM 0 HG21 VAL A 118 14.078 13.796 -20.064 1.00 0.00 H new ATOM 0 HG22 VAL A 118 13.280 13.655 -21.649 1.00 0.00 H new ATOM 0 HG23 VAL A 118 14.941 14.286 -21.541 1.00 0.00 H new ATOM 1802 N THR A 119 12.666 14.679 -23.859 1.00 0.00 N ATOM 1803 CA THR A 119 11.906 13.927 -24.856 1.00 0.00 C ATOM 1804 C THR A 119 12.169 12.424 -24.642 1.00 0.00 C ATOM 1805 O THR A 119 13.086 12.065 -23.895 1.00 0.00 O ATOM 1806 CB THR A 119 12.301 14.422 -26.269 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.673 14.787 -26.343 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.496 15.654 -26.692 1.00 0.00 C ATOM 0 H THR A 119 13.595 14.288 -23.701 1.00 0.00 H new ATOM 0 HA THR A 119 10.833 14.087 -24.752 1.00 0.00 H new ATOM 0 HB THR A 119 12.092 13.582 -26.931 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.772 15.736 -26.119 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.806 15.967 -27.689 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.434 15.409 -26.703 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.674 16.465 -25.986 1.00 0.00 H new ATOM 1816 N TRP A 120 11.383 11.531 -25.257 1.00 0.00 N ATOM 1817 CA TRP A 120 11.608 10.091 -25.140 1.00 0.00 C ATOM 1818 C TRP A 120 11.207 9.332 -26.397 1.00 0.00 C ATOM 1819 O TRP A 120 10.513 9.864 -27.271 1.00 0.00 O ATOM 1820 CB TRP A 120 10.854 9.492 -23.933 1.00 0.00 C ATOM 1821 CG TRP A 120 9.363 9.318 -24.047 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.451 10.310 -24.122 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.584 8.079 -24.073 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.175 9.785 -24.116 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.194 8.409 -24.084 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.904 6.703 -24.080 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.185 7.435 -24.065 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.901 5.716 -24.021 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.544 6.078 -24.016 1.00 0.00 C ATOM 0 H TRP A 120 10.586 11.784 -25.841 1.00 0.00 H new ATOM 0 HA TRP A 120 12.682 9.974 -24.993 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.289 8.516 -23.719 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.051 10.126 -23.068 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.686 11.363 -24.179 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.324 10.347 -24.133 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.940 6.402 -24.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.145 7.725 -24.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.177 4.673 -23.979 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.780 5.316 -23.975 1.00 0.00 H new ATOM 1840 N ALA A 121 11.609 8.061 -26.436 1.00 0.00 N ATOM 1841 CA ALA A 121 11.170 7.070 -27.399 1.00 0.00 C ATOM 1842 C ALA A 121 11.088 5.736 -26.664 1.00 0.00 C ATOM 1843 O ALA A 121 11.914 5.445 -25.797 1.00 0.00 O ATOM 1844 CB ALA A 121 12.135 6.950 -28.586 1.00 0.00 C ATOM 0 H ALA A 121 12.279 7.685 -25.765 1.00 0.00 H new ATOM 0 HA ALA A 121 10.204 7.366 -27.809 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.765 6.196 -29.281 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.205 7.911 -29.096 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.121 6.658 -28.225 1.00 0.00 H new ATOM 1850 N ASN A 122 10.097 4.922 -27.016 1.00 0.00 N ATOM 1851 CA ASN A 122 9.867 3.598 -26.437 1.00 0.00 C ATOM 1852 C ASN A 122 10.770 2.524 -27.069 1.00 0.00 C ATOM 1853 O ASN A 122 10.428 1.340 -27.056 1.00 0.00 O ATOM 1854 CB ASN A 122 8.374 3.236 -26.568 1.00 0.00 C ATOM 1855 CG ASN A 122 7.978 2.771 -27.971 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.358 3.373 -28.973 1.00 0.00 O ATOM 1857 ND2 ASN A 122 7.194 1.711 -28.083 1.00 0.00 N ATOM 0 H ASN A 122 9.413 5.170 -27.731 1.00 0.00 H new ATOM 0 HA ASN A 122 10.133 3.631 -25.380 1.00 0.00 H new ATOM 0 HB2 ASN A 122 8.135 2.449 -25.852 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.773 4.105 -26.299 1.00 0.00 H new ATOM 0 HD21 ASN A 122 6.901 1.388 -29.005 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.883 1.216 -27.247 1.00 0.00 H new ATOM 1864 N ASP A 123 11.898 2.921 -27.663 1.00 0.00 N ATOM 1865 CA ASP A 123 12.784 2.072 -28.456 1.00 0.00 C ATOM 1866 C ASP A 123 14.231 2.526 -28.261 1.00 0.00 C ATOM 1867 O ASP A 123 14.473 3.627 -27.765 1.00 0.00 O ATOM 1868 CB ASP A 123 12.373 2.110 -29.944 1.00 0.00 C ATOM 1869 CG ASP A 123 13.289 2.959 -30.850 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.130 4.198 -30.891 1.00 0.00 O ATOM 1871 OD2 ASP A 123 14.133 2.379 -31.569 1.00 0.00 O ATOM 0 H ASP A 123 12.231 3.883 -27.601 1.00 0.00 H new ATOM 0 HA ASP A 123 12.700 1.038 -28.120 1.00 0.00 H new ATOM 0 HB2 ASP A 123 12.353 1.089 -30.326 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.356 2.497 -30.015 1.00 0.00 H new ATOM 1876 N GLY A 124 15.187 1.682 -28.641 1.00 0.00 N ATOM 1877 CA GLY A 124 16.609 2.002 -28.662 1.00 0.00 C ATOM 1878 C GLY A 124 17.454 0.772 -28.335 1.00 0.00 C ATOM 1879 O GLY A 124 16.925 -0.268 -27.933 1.00 0.00 O ATOM 0 H GLY A 124 14.987 0.731 -28.951 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.884 2.385 -29.645 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.818 2.793 -27.941 1.00 0.00 H new ATOM 1883 N TYR A 125 18.771 0.916 -28.474 1.00 0.00 N ATOM 1884 CA TYR A 125 19.785 -0.076 -28.142 1.00 0.00 C ATOM 1885 C TYR A 125 20.979 0.711 -27.621 1.00 0.00 C ATOM 1886 O TYR A 125 21.526 0.356 -26.559 1.00 0.00 O ATOM 1887 CB TYR A 125 20.185 -0.897 -29.379 1.00 0.00 C ATOM 1888 CG TYR A 125 19.088 -1.786 -29.934 1.00 0.00 C ATOM 1889 CD1 TYR A 125 18.880 -3.068 -29.389 1.00 0.00 C ATOM 1890 CD2 TYR A 125 18.272 -1.333 -30.989 1.00 0.00 C ATOM 1891 CE1 TYR A 125 17.855 -3.893 -29.886 1.00 0.00 C ATOM 1892 CE2 TYR A 125 17.244 -2.151 -31.491 1.00 0.00 C ATOM 1893 CZ TYR A 125 17.029 -3.435 -30.940 1.00 0.00 C ATOM 1894 OH TYR A 125 16.029 -4.218 -31.434 1.00 0.00 O ATOM 1895 OXT TYR A 125 21.323 1.740 -28.239 1.00 0.00 O ATOM 0 H TYR A 125 19.178 1.776 -28.842 1.00 0.00 H new ATOM 0 HA TYR A 125 19.412 -0.786 -27.404 1.00 0.00 H new ATOM 0 HB2 TYR A 125 20.510 -0.212 -30.163 1.00 0.00 H new ATOM 0 HB3 TYR A 125 21.043 -1.519 -29.123 1.00 0.00 H new ATOM 0 HD1 TYR A 125 19.511 -3.419 -28.586 1.00 0.00 H new ATOM 0 HD2 TYR A 125 18.436 -0.354 -31.414 1.00 0.00 H new ATOM 0 HE1 TYR A 125 17.698 -4.875 -29.464 1.00 0.00 H new ATOM 0 HE2 TYR A 125 16.619 -1.798 -32.298 1.00 0.00 H new ATOM 0 HH TYR A 125 15.565 -3.741 -32.153 1.00 0.00 H new TER 1905 TYR A 125