USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 510 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 16 TYR OH : rot 15:sc= -0.263 USER MOD Set 1.2: A 42 MET CE :methyl -128:sc= -1.81 (180deg=-4.38!) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0306 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 145:sc= -3.41! (180deg=-4.29!) USER MOD Single : A 11 THR OG1 : rot 132:sc= 0.423 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 25 CYS SG : rot 26:sc= 0.0816 USER MOD Single : A 27 SER OG : rot -51:sc= 0.00653 USER MOD Single : A 28 GLN : amide:sc= -5.72! C(o=-5.7!,f=-11!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 38 ASN : amide:sc= -5.64! C(o=-5.6!,f=-18!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 40 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.06) USER MOD Single : A 41 ASN : amide:sc= -0.145 X(o=-0.15,f=-0.32) USER MOD Single : A 43 CYS SG : rot 180:sc= -3.63! USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00656 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.512 F(o=-1.8,f=-0.51) USER MOD Single : A 50 SER OG : rot -159:sc= 1.19 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.730 2.343 -23.416 1.00 0.00 N ATOM 2 CA GLY A 1 -8.003 1.450 -22.304 1.00 0.00 C ATOM 3 C GLY A 1 -7.799 2.119 -20.960 1.00 0.00 C ATOM 4 O GLY A 1 -7.948 3.335 -20.834 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.539 2.340 -24.070 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.578 3.307 -23.058 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.878 2.022 -23.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.029 1.090 -22.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.353 0.578 -22.375 1.00 0.00 H new ATOM 8 N SER A 2 -7.458 1.324 -19.951 1.00 0.00 N ATOM 9 CA SER A 2 -7.238 1.846 -18.607 1.00 0.00 C ATOM 10 C SER A 2 -5.938 2.641 -18.538 1.00 0.00 C ATOM 11 O SER A 2 -5.019 2.418 -19.326 1.00 0.00 O ATOM 12 CB SER A 2 -7.204 0.702 -17.592 1.00 0.00 C ATOM 13 OG SER A 2 -6.147 -0.199 -17.874 1.00 0.00 O ATOM 0 H SER A 2 -7.328 0.316 -20.038 1.00 0.00 H new ATOM 0 HA SER A 2 -8.065 2.514 -18.364 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.083 1.107 -16.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.155 0.169 -17.608 1.00 0.00 H new ATOM 0 HG SER A 2 -6.146 -0.920 -17.210 1.00 0.00 H new ATOM 19 N SER A 3 -5.869 3.570 -17.590 1.00 0.00 N ATOM 20 CA SER A 3 -4.683 4.402 -17.420 1.00 0.00 C ATOM 21 C SER A 3 -3.669 3.722 -16.506 1.00 0.00 C ATOM 22 O SER A 3 -3.845 3.676 -15.290 1.00 0.00 O ATOM 23 CB SER A 3 -5.070 5.767 -16.846 1.00 0.00 C ATOM 24 OG SER A 3 -3.990 6.680 -16.933 1.00 0.00 O ATOM 0 H SER A 3 -6.620 3.766 -16.928 1.00 0.00 H new ATOM 0 HA SER A 3 -4.225 4.544 -18.399 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.929 6.162 -17.387 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.373 5.655 -15.805 1.00 0.00 H new ATOM 0 HG SER A 3 -4.262 7.545 -16.562 1.00 0.00 H new ATOM 30 N GLY A 4 -2.604 3.193 -17.103 1.00 0.00 N ATOM 31 CA GLY A 4 -1.577 2.522 -16.329 1.00 0.00 C ATOM 32 C GLY A 4 -0.408 3.431 -16.005 1.00 0.00 C ATOM 33 O GLY A 4 0.515 3.577 -16.807 1.00 0.00 O ATOM 0 H GLY A 4 -2.435 3.218 -18.109 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.011 2.149 -15.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.217 1.655 -16.883 1.00 0.00 H new ATOM 37 N SER A 5 -0.447 4.046 -14.827 1.00 0.00 N ATOM 38 CA SER A 5 0.615 4.951 -14.402 1.00 0.00 C ATOM 39 C SER A 5 1.773 4.175 -13.781 1.00 0.00 C ATOM 40 O SER A 5 1.688 2.963 -13.585 1.00 0.00 O ATOM 41 CB SER A 5 0.073 5.971 -13.399 1.00 0.00 C ATOM 42 OG SER A 5 -0.174 5.367 -12.141 1.00 0.00 O ATOM 0 H SER A 5 -1.202 3.934 -14.150 1.00 0.00 H new ATOM 0 HA SER A 5 0.984 5.478 -15.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.788 6.785 -13.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.848 6.409 -13.783 1.00 0.00 H new ATOM 0 HG SER A 5 -0.518 6.040 -11.517 1.00 0.00 H new ATOM 48 N SER A 6 2.854 4.884 -13.474 1.00 0.00 N ATOM 49 CA SER A 6 4.032 4.263 -12.879 1.00 0.00 C ATOM 50 C SER A 6 3.752 3.833 -11.443 1.00 0.00 C ATOM 51 O SER A 6 3.931 2.669 -11.085 1.00 0.00 O ATOM 52 CB SER A 6 5.216 5.231 -12.912 1.00 0.00 C ATOM 53 OG SER A 6 6.446 4.537 -12.791 1.00 0.00 O ATOM 0 H SER A 6 2.939 5.889 -13.627 1.00 0.00 H new ATOM 0 HA SER A 6 4.280 3.377 -13.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.203 5.795 -13.845 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.121 5.954 -12.102 1.00 0.00 H new ATOM 0 HG SER A 6 7.187 5.178 -12.817 1.00 0.00 H new ATOM 59 N GLY A 7 3.311 4.782 -10.623 1.00 0.00 N ATOM 60 CA GLY A 7 3.013 4.483 -9.234 1.00 0.00 C ATOM 61 C GLY A 7 3.165 5.693 -8.335 1.00 0.00 C ATOM 62 O GLY A 7 3.871 6.643 -8.674 1.00 0.00 O ATOM 0 H GLY A 7 3.155 5.752 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.994 4.103 -9.158 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.675 3.690 -8.886 1.00 0.00 H new ATOM 66 N SER A 8 2.499 5.661 -7.184 1.00 0.00 N ATOM 67 CA SER A 8 2.559 6.767 -6.236 1.00 0.00 C ATOM 68 C SER A 8 3.374 6.383 -5.004 1.00 0.00 C ATOM 69 O SER A 8 3.099 5.375 -4.352 1.00 0.00 O ATOM 70 CB SER A 8 1.148 7.184 -5.817 1.00 0.00 C ATOM 71 OG SER A 8 0.543 8.001 -6.805 1.00 0.00 O ATOM 0 H SER A 8 1.912 4.881 -6.886 1.00 0.00 H new ATOM 0 HA SER A 8 3.049 7.608 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.537 6.297 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.191 7.723 -4.871 1.00 0.00 H new ATOM 0 HG SER A 8 -0.358 8.253 -6.514 1.00 0.00 H new ATOM 77 N THR A 9 4.379 7.194 -4.691 1.00 0.00 N ATOM 78 CA THR A 9 5.236 6.940 -3.540 1.00 0.00 C ATOM 79 C THR A 9 4.725 7.669 -2.303 1.00 0.00 C ATOM 80 O THR A 9 4.534 8.884 -2.322 1.00 0.00 O ATOM 81 CB THR A 9 6.689 7.374 -3.814 1.00 0.00 C ATOM 82 OG1 THR A 9 7.130 6.844 -5.069 1.00 0.00 O ATOM 83 CG2 THR A 9 7.614 6.899 -2.704 1.00 0.00 C ATOM 0 H THR A 9 4.620 8.033 -5.219 1.00 0.00 H new ATOM 0 HA THR A 9 5.214 5.865 -3.361 1.00 0.00 H new ATOM 0 HB THR A 9 6.719 8.463 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.054 7.126 -5.237 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.634 7.217 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.293 7.328 -1.755 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.579 5.811 -2.641 1.00 0.00 H new ATOM 91 N MET A 10 4.505 6.919 -1.228 1.00 0.00 N ATOM 92 CA MET A 10 4.018 7.495 0.020 1.00 0.00 C ATOM 93 C MET A 10 4.924 7.113 1.186 1.00 0.00 C ATOM 94 O MET A 10 5.472 6.011 1.225 1.00 0.00 O ATOM 95 CB MET A 10 2.587 7.030 0.296 1.00 0.00 C ATOM 96 CG MET A 10 1.623 7.318 -0.843 1.00 0.00 C ATOM 97 SD MET A 10 0.829 8.929 -0.691 1.00 0.00 S ATOM 98 CE MET A 10 -0.487 8.551 0.464 1.00 0.00 C ATOM 0 H MET A 10 4.656 5.911 -1.196 1.00 0.00 H new ATOM 0 HA MET A 10 4.027 8.580 -0.082 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.594 5.958 0.493 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.224 7.518 1.201 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.161 7.270 -1.790 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.858 6.542 -0.872 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.656 9.408 1.116 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.401 8.328 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.206 7.687 1.066 1.00 0.00 H new ATOM 108 N THR A 11 5.078 8.031 2.135 1.00 0.00 N ATOM 109 CA THR A 11 5.918 7.791 3.301 1.00 0.00 C ATOM 110 C THR A 11 5.074 7.536 4.544 1.00 0.00 C ATOM 111 O THR A 11 4.192 8.326 4.881 1.00 0.00 O ATOM 112 CB THR A 11 6.860 8.980 3.569 1.00 0.00 C ATOM 113 OG1 THR A 11 7.693 9.213 2.428 1.00 0.00 O ATOM 114 CG2 THR A 11 7.728 8.719 4.791 1.00 0.00 C ATOM 0 H THR A 11 4.632 8.948 2.119 1.00 0.00 H new ATOM 0 HA THR A 11 6.515 6.906 3.083 1.00 0.00 H new ATOM 0 HB THR A 11 6.249 9.862 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.682 10.167 2.204 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.385 9.573 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.092 8.572 5.664 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.330 7.825 4.626 1.00 0.00 H new ATOM 122 N VAL A 12 5.350 6.427 5.224 1.00 0.00 N ATOM 123 CA VAL A 12 4.616 6.069 6.432 1.00 0.00 C ATOM 124 C VAL A 12 4.687 7.184 7.469 1.00 0.00 C ATOM 125 O VAL A 12 5.750 7.757 7.708 1.00 0.00 O ATOM 126 CB VAL A 12 5.160 4.769 7.054 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.332 4.369 8.266 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.181 3.653 6.021 1.00 0.00 C ATOM 0 H VAL A 12 6.076 5.762 4.959 1.00 0.00 H new ATOM 0 HA VAL A 12 3.578 5.916 6.138 1.00 0.00 H new ATOM 0 HB VAL A 12 6.183 4.946 7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.731 3.449 8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.373 5.162 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.297 4.209 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.568 2.742 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.169 3.475 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.821 3.941 5.187 1.00 0.00 H new ATOM 138 N ILE A 13 3.548 7.487 8.083 1.00 0.00 N ATOM 139 CA ILE A 13 3.481 8.532 9.096 1.00 0.00 C ATOM 140 C ILE A 13 3.242 7.941 10.481 1.00 0.00 C ATOM 141 O ILE A 13 3.631 8.525 11.493 1.00 0.00 O ATOM 142 CB ILE A 13 2.366 9.548 8.784 1.00 0.00 C ATOM 143 CG1 ILE A 13 1.026 8.829 8.611 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.710 10.346 7.536 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.151 9.770 8.477 1.00 0.00 C ATOM 0 H ILE A 13 2.659 7.023 7.896 1.00 0.00 H new ATOM 0 HA ILE A 13 4.443 9.045 9.084 1.00 0.00 H new ATOM 0 HB ILE A 13 2.281 10.240 9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.075 8.193 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.861 8.173 9.466 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.912 11.059 7.329 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.645 10.883 7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.819 9.668 6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.067 9.192 8.358 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.226 10.388 9.371 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.009 10.409 7.605 1.00 0.00 H new ATOM 157 N LYS A 14 2.601 6.778 10.520 1.00 0.00 N ATOM 158 CA LYS A 14 2.312 6.104 11.780 1.00 0.00 C ATOM 159 C LYS A 14 2.492 4.596 11.644 1.00 0.00 C ATOM 160 O LYS A 14 2.126 4.007 10.627 1.00 0.00 O ATOM 161 CB LYS A 14 0.886 6.420 12.236 1.00 0.00 C ATOM 162 CG LYS A 14 0.607 7.906 12.377 1.00 0.00 C ATOM 163 CD LYS A 14 -0.882 8.186 12.489 1.00 0.00 C ATOM 164 CE LYS A 14 -1.179 9.674 12.380 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.904 10.390 13.656 1.00 0.00 N ATOM 0 H LYS A 14 2.271 6.282 9.692 1.00 0.00 H new ATOM 0 HA LYS A 14 3.015 6.470 12.528 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.182 5.993 11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.703 5.932 13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.118 8.291 13.260 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.014 8.437 11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.414 7.649 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.254 7.808 13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.575 10.107 11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.223 9.816 12.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.119 11.401 13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.499 9.994 14.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.098 10.276 13.909 1.00 0.00 H new ATOM 179 N ASP A 15 3.054 3.976 12.676 1.00 0.00 N ATOM 180 CA ASP A 15 3.280 2.535 12.672 1.00 0.00 C ATOM 181 C ASP A 15 1.982 1.783 12.392 1.00 0.00 C ATOM 182 O ASP A 15 0.890 2.314 12.593 1.00 0.00 O ATOM 183 CB ASP A 15 3.866 2.086 14.012 1.00 0.00 C ATOM 184 CG ASP A 15 4.495 0.709 13.935 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.742 -0.286 13.889 1.00 0.00 O ATOM 186 OD2 ASP A 15 5.742 0.626 13.922 1.00 0.00 O ATOM 0 H ASP A 15 3.361 4.449 13.526 1.00 0.00 H new ATOM 0 HA ASP A 15 3.991 2.305 11.878 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.616 2.807 14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.079 2.081 14.766 1.00 0.00 H new ATOM 191 N TYR A 16 2.111 0.546 11.927 1.00 0.00 N ATOM 192 CA TYR A 16 0.949 -0.278 11.616 1.00 0.00 C ATOM 193 C TYR A 16 1.290 -1.762 11.719 1.00 0.00 C ATOM 194 O TYR A 16 2.285 -2.222 11.159 1.00 0.00 O ATOM 195 CB TYR A 16 0.431 0.042 10.213 1.00 0.00 C ATOM 196 CG TYR A 16 -0.629 -0.920 9.724 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.957 -0.772 10.104 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.301 -1.976 8.882 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.928 -1.648 9.660 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.267 -2.856 8.433 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.578 -2.689 8.825 1.00 0.00 C ATOM 202 OH TYR A 16 -3.543 -3.563 8.380 1.00 0.00 O ATOM 0 H TYR A 16 3.008 0.092 11.757 1.00 0.00 H new ATOM 0 HA TYR A 16 0.170 -0.052 12.344 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.023 1.053 10.207 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.268 0.032 9.515 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.235 0.042 10.758 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.725 -2.111 8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.956 -1.519 9.965 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.996 -3.671 7.778 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.431 -3.180 8.542 1.00 0.00 H new ATOM 212 N TYR A 17 0.456 -2.505 12.437 1.00 0.00 N ATOM 213 CA TYR A 17 0.668 -3.937 12.616 1.00 0.00 C ATOM 214 C TYR A 17 -0.059 -4.734 11.537 1.00 0.00 C ATOM 215 O TYR A 17 -1.245 -4.521 11.286 1.00 0.00 O ATOM 216 CB TYR A 17 0.190 -4.376 14.001 1.00 0.00 C ATOM 217 CG TYR A 17 0.529 -3.393 15.098 1.00 0.00 C ATOM 218 CD1 TYR A 17 1.837 -3.240 15.542 1.00 0.00 C ATOM 219 CD2 TYR A 17 -0.458 -2.616 15.692 1.00 0.00 C ATOM 220 CE1 TYR A 17 2.151 -2.344 16.545 1.00 0.00 C ATOM 221 CE2 TYR A 17 -0.153 -1.716 16.694 1.00 0.00 C ATOM 222 CZ TYR A 17 1.153 -1.584 17.118 1.00 0.00 C ATOM 223 OH TYR A 17 1.462 -0.689 18.116 1.00 0.00 O ATOM 0 H TYR A 17 -0.374 -2.140 12.905 1.00 0.00 H new ATOM 0 HA TYR A 17 1.737 -4.134 12.530 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.890 -4.520 13.975 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.634 -5.342 14.240 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.622 -3.832 15.095 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.482 -2.718 15.364 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.173 -2.239 16.879 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.933 -1.119 17.143 1.00 0.00 H new ATOM 0 HH TYR A 17 0.646 -0.233 18.411 1.00 0.00 H new ATOM 233 N ALA A 18 0.661 -5.654 10.904 1.00 0.00 N ATOM 234 CA ALA A 18 0.085 -6.486 9.855 1.00 0.00 C ATOM 235 C ALA A 18 -0.867 -7.524 10.438 1.00 0.00 C ATOM 236 O ALA A 18 -0.516 -8.697 10.573 1.00 0.00 O ATOM 237 CB ALA A 18 1.187 -7.167 9.057 1.00 0.00 C ATOM 0 H ALA A 18 1.644 -5.842 11.099 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.487 -5.842 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.743 -7.785 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.826 -6.411 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.783 -7.793 9.721 1.00 0.00 H new ATOM 243 N LEU A 19 -2.073 -7.087 10.784 1.00 0.00 N ATOM 244 CA LEU A 19 -3.076 -7.979 11.354 1.00 0.00 C ATOM 245 C LEU A 19 -3.456 -9.075 10.364 1.00 0.00 C ATOM 246 O LEU A 19 -3.749 -10.205 10.754 1.00 0.00 O ATOM 247 CB LEU A 19 -4.321 -7.187 11.758 1.00 0.00 C ATOM 248 CG LEU A 19 -4.085 -5.990 12.680 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.318 -5.101 12.728 1.00 0.00 C ATOM 250 CD2 LEU A 19 -3.709 -6.459 14.078 1.00 0.00 C ATOM 0 H LEU A 19 -2.380 -6.120 10.680 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.648 -8.448 12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.811 -6.831 10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.016 -7.867 12.250 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.257 -5.406 12.279 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.131 -4.255 13.389 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.543 -4.736 11.726 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.166 -5.674 13.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.545 -5.594 14.720 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.516 -7.067 14.487 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.796 -7.053 14.029 1.00 0.00 H new ATOM 262 N LYS A 20 -3.448 -8.733 9.080 1.00 0.00 N ATOM 263 CA LYS A 20 -3.788 -9.688 8.031 1.00 0.00 C ATOM 264 C LYS A 20 -2.531 -10.310 7.433 1.00 0.00 C ATOM 265 O LYS A 20 -1.540 -9.621 7.194 1.00 0.00 O ATOM 266 CB LYS A 20 -4.602 -9.001 6.932 1.00 0.00 C ATOM 267 CG LYS A 20 -6.103 -9.073 7.152 1.00 0.00 C ATOM 268 CD LYS A 20 -6.860 -9.088 5.835 1.00 0.00 C ATOM 269 CE LYS A 20 -8.356 -8.919 6.049 1.00 0.00 C ATOM 270 NZ LYS A 20 -9.027 -10.218 6.334 1.00 0.00 N ATOM 0 H LYS A 20 -3.210 -7.801 8.740 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.388 -10.481 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.302 -7.955 6.869 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.361 -9.459 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.345 -9.970 7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.426 -8.219 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.491 -8.288 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.670 -10.027 5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.529 -8.232 6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.801 -8.468 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.045 -10.059 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.884 -10.866 5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.621 -10.637 7.195 1.00 0.00 H new ATOM 284 N GLU A 21 -2.579 -11.617 7.193 1.00 0.00 N ATOM 285 CA GLU A 21 -1.443 -12.330 6.622 1.00 0.00 C ATOM 286 C GLU A 21 -0.901 -11.599 5.397 1.00 0.00 C ATOM 287 O GLU A 21 0.301 -11.368 5.280 1.00 0.00 O ATOM 288 CB GLU A 21 -1.847 -13.756 6.241 1.00 0.00 C ATOM 289 CG GLU A 21 -1.999 -14.685 7.434 1.00 0.00 C ATOM 290 CD GLU A 21 -2.552 -16.043 7.049 1.00 0.00 C ATOM 291 OE1 GLU A 21 -3.760 -16.128 6.745 1.00 0.00 O ATOM 292 OE2 GLU A 21 -1.776 -17.022 7.052 1.00 0.00 O ATOM 0 H GLU A 21 -3.392 -12.203 7.385 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.657 -12.371 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.789 -13.724 5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.099 -14.168 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.029 -14.815 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.659 -14.223 8.168 1.00 0.00 H new ATOM 299 N ASN A 22 -1.799 -11.239 4.485 1.00 0.00 N ATOM 300 CA ASN A 22 -1.412 -10.535 3.268 1.00 0.00 C ATOM 301 C ASN A 22 -0.724 -9.214 3.599 1.00 0.00 C ATOM 302 O ASN A 22 0.303 -8.874 3.012 1.00 0.00 O ATOM 303 CB ASN A 22 -2.638 -10.279 2.390 1.00 0.00 C ATOM 304 CG ASN A 22 -2.281 -10.143 0.922 1.00 0.00 C ATOM 305 OD1 ASN A 22 -1.322 -9.458 0.567 1.00 0.00 O ATOM 306 ND2 ASN A 22 -3.053 -10.796 0.062 1.00 0.00 N ATOM 0 H ASN A 22 -2.799 -11.423 4.566 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.708 -11.164 2.723 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.347 -11.097 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.138 -9.370 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.861 -10.742 -0.938 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.838 -11.352 0.402 1.00 0.00 H new ATOM 313 N GLU A 23 -1.298 -8.474 4.542 1.00 0.00 N ATOM 314 CA GLU A 23 -0.740 -7.190 4.950 1.00 0.00 C ATOM 315 C GLU A 23 0.671 -7.362 5.505 1.00 0.00 C ATOM 316 O GLU A 23 1.096 -8.475 5.814 1.00 0.00 O ATOM 317 CB GLU A 23 -1.637 -6.530 6.000 1.00 0.00 C ATOM 318 CG GLU A 23 -2.837 -5.810 5.410 1.00 0.00 C ATOM 319 CD GLU A 23 -3.903 -6.766 4.909 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.567 -7.663 4.109 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.073 -6.616 5.319 1.00 0.00 O ATOM 0 H GLU A 23 -2.149 -8.741 5.038 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.690 -6.548 4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.987 -7.292 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.045 -5.819 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.269 -5.153 6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.507 -5.176 4.587 1.00 0.00 H new ATOM 328 N ILE A 24 1.391 -6.252 5.629 1.00 0.00 N ATOM 329 CA ILE A 24 2.753 -6.279 6.147 1.00 0.00 C ATOM 330 C ILE A 24 2.962 -5.196 7.200 1.00 0.00 C ATOM 331 O ILE A 24 2.291 -4.164 7.185 1.00 0.00 O ATOM 332 CB ILE A 24 3.787 -6.092 5.021 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.646 -4.703 4.395 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.622 -7.174 3.964 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.670 -4.418 3.319 1.00 0.00 C ATOM 0 H ILE A 24 1.054 -5.323 5.378 1.00 0.00 H new ATOM 0 HA ILE A 24 2.898 -7.258 6.603 1.00 0.00 H new ATOM 0 HB ILE A 24 4.786 -6.178 5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.647 -4.605 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.735 -3.950 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.360 -7.028 3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.767 -8.153 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.620 -7.117 3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.510 -3.416 2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.672 -4.484 3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.568 -5.149 2.517 1.00 0.00 H new ATOM 347 N CYS A 25 3.898 -5.438 8.111 1.00 0.00 N ATOM 348 CA CYS A 25 4.198 -4.483 9.171 1.00 0.00 C ATOM 349 C CYS A 25 5.068 -3.345 8.648 1.00 0.00 C ATOM 350 O CYS A 25 5.977 -3.563 7.846 1.00 0.00 O ATOM 351 CB CYS A 25 4.899 -5.185 10.335 1.00 0.00 C ATOM 352 SG CYS A 25 6.467 -5.967 9.889 1.00 0.00 S ATOM 0 H CYS A 25 4.462 -6.287 8.137 1.00 0.00 H new ATOM 0 HA CYS A 25 3.257 -4.062 9.524 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.080 -4.459 11.127 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.231 -5.943 10.744 1.00 0.00 H new ATOM 0 HG CYS A 25 6.980 -5.356 8.863 1.00 0.00 H new ATOM 358 N VAL A 26 4.784 -2.130 9.107 1.00 0.00 N ATOM 359 CA VAL A 26 5.541 -0.958 8.685 1.00 0.00 C ATOM 360 C VAL A 26 5.790 -0.014 9.856 1.00 0.00 C ATOM 361 O VAL A 26 5.067 -0.039 10.852 1.00 0.00 O ATOM 362 CB VAL A 26 4.810 -0.190 7.568 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.641 -1.069 6.338 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.462 0.314 8.063 1.00 0.00 C ATOM 0 H VAL A 26 4.035 -1.932 9.771 1.00 0.00 H new ATOM 0 HA VAL A 26 6.496 -1.319 8.303 1.00 0.00 H new ATOM 0 HB VAL A 26 5.414 0.673 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.123 -0.509 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.621 -1.376 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.058 -1.952 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.959 0.854 7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.848 -0.532 8.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.612 0.981 8.912 1.00 0.00 H new ATOM 374 N SER A 27 6.818 0.819 9.730 1.00 0.00 N ATOM 375 CA SER A 27 7.166 1.769 10.780 1.00 0.00 C ATOM 376 C SER A 27 7.227 3.190 10.227 1.00 0.00 C ATOM 377 O SER A 27 7.747 3.421 9.136 1.00 0.00 O ATOM 378 CB SER A 27 8.509 1.397 11.411 1.00 0.00 C ATOM 379 OG SER A 27 8.438 0.135 12.052 1.00 0.00 O ATOM 0 H SER A 27 7.425 0.855 8.911 1.00 0.00 H new ATOM 0 HA SER A 27 6.391 1.727 11.545 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.282 1.375 10.643 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.799 2.160 12.134 1.00 0.00 H new ATOM 0 HG SER A 27 7.669 0.119 12.659 1.00 0.00 H new ATOM 385 N GLN A 28 6.692 4.138 10.990 1.00 0.00 N ATOM 386 CA GLN A 28 6.685 5.537 10.576 1.00 0.00 C ATOM 387 C GLN A 28 8.049 5.951 10.034 1.00 0.00 C ATOM 388 O GLN A 28 9.078 5.706 10.662 1.00 0.00 O ATOM 389 CB GLN A 28 6.295 6.436 11.751 1.00 0.00 C ATOM 390 CG GLN A 28 6.527 7.915 11.488 1.00 0.00 C ATOM 391 CD GLN A 28 7.989 8.303 11.585 1.00 0.00 C ATOM 392 OE1 GLN A 28 8.678 8.429 10.572 1.00 0.00 O ATOM 393 NE2 GLN A 28 8.472 8.494 12.807 1.00 0.00 N ATOM 0 H GLN A 28 6.258 3.964 11.897 1.00 0.00 H new ATOM 0 HA GLN A 28 5.949 5.651 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.242 6.278 11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.865 6.138 12.631 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.153 8.166 10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.951 8.502 12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.865 8.379 13.619 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.450 8.756 12.934 1.00 0.00 H new ATOM 402 N GLY A 29 8.049 6.580 8.863 1.00 0.00 N ATOM 403 CA GLY A 29 9.292 7.018 8.256 1.00 0.00 C ATOM 404 C GLY A 29 9.610 6.265 6.979 1.00 0.00 C ATOM 405 O GLY A 29 10.114 6.846 6.019 1.00 0.00 O ATOM 0 H GLY A 29 7.210 6.794 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.231 8.085 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.107 6.883 8.967 1.00 0.00 H new ATOM 409 N GLU A 30 9.317 4.969 6.970 1.00 0.00 N ATOM 410 CA GLU A 30 9.578 4.136 5.802 1.00 0.00 C ATOM 411 C GLU A 30 8.913 4.718 4.558 1.00 0.00 C ATOM 412 O GLU A 30 8.137 5.670 4.644 1.00 0.00 O ATOM 413 CB GLU A 30 9.076 2.710 6.042 1.00 0.00 C ATOM 414 CG GLU A 30 9.936 1.917 7.011 1.00 0.00 C ATOM 415 CD GLU A 30 11.420 2.138 6.791 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.941 3.171 7.259 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.059 1.278 6.149 1.00 0.00 O ATOM 0 H GLU A 30 8.899 4.473 7.757 1.00 0.00 H new ATOM 0 HA GLU A 30 10.655 4.112 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.056 2.752 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.037 2.183 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.678 2.197 8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.711 0.856 6.905 1.00 0.00 H new ATOM 424 N VAL A 31 9.224 4.141 3.402 1.00 0.00 N ATOM 425 CA VAL A 31 8.657 4.602 2.140 1.00 0.00 C ATOM 426 C VAL A 31 8.275 3.426 1.248 1.00 0.00 C ATOM 427 O VAL A 31 9.063 2.502 1.048 1.00 0.00 O ATOM 428 CB VAL A 31 9.643 5.509 1.380 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.029 5.987 0.073 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.057 6.689 2.247 1.00 0.00 C ATOM 0 H VAL A 31 9.866 3.353 3.313 1.00 0.00 H new ATOM 0 HA VAL A 31 7.763 5.175 2.385 1.00 0.00 H new ATOM 0 HB VAL A 31 10.536 4.930 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.740 6.627 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.787 5.127 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.120 6.551 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.754 7.320 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.175 7.271 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.539 6.323 3.153 1.00 0.00 H new ATOM 440 N VAL A 32 7.059 3.468 0.713 1.00 0.00 N ATOM 441 CA VAL A 32 6.571 2.407 -0.160 1.00 0.00 C ATOM 442 C VAL A 32 5.975 2.980 -1.441 1.00 0.00 C ATOM 443 O VAL A 32 6.026 4.187 -1.675 1.00 0.00 O ATOM 444 CB VAL A 32 5.509 1.543 0.545 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.137 0.744 1.677 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.373 2.413 1.062 1.00 0.00 C ATOM 0 H VAL A 32 6.394 4.225 0.869 1.00 0.00 H new ATOM 0 HA VAL A 32 7.429 1.783 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 32 5.097 0.840 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.372 0.139 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.913 0.093 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.577 1.427 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.631 1.786 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.766 3.140 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.907 2.936 0.227 1.00 0.00 H new ATOM 456 N GLN A 33 5.410 2.105 -2.267 1.00 0.00 N ATOM 457 CA GLN A 33 4.803 2.525 -3.525 1.00 0.00 C ATOM 458 C GLN A 33 3.425 1.897 -3.701 1.00 0.00 C ATOM 459 O GLN A 33 3.294 0.677 -3.797 1.00 0.00 O ATOM 460 CB GLN A 33 5.704 2.145 -4.702 1.00 0.00 C ATOM 461 CG GLN A 33 6.791 3.168 -4.992 1.00 0.00 C ATOM 462 CD GLN A 33 8.015 2.551 -5.639 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.905 1.779 -6.592 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.191 2.890 -5.124 1.00 0.00 N ATOM 0 H GLN A 33 5.360 1.102 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 33 4.687 3.609 -3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.170 1.181 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.089 2.018 -5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.391 3.943 -5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.083 3.656 -4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.235 3.533 -4.334 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.050 2.507 -5.519 1.00 0.00 H new ATOM 473 N VAL A 34 2.397 2.739 -3.742 1.00 0.00 N ATOM 474 CA VAL A 34 1.028 2.267 -3.908 1.00 0.00 C ATOM 475 C VAL A 34 0.831 1.618 -5.273 1.00 0.00 C ATOM 476 O VAL A 34 1.385 2.073 -6.275 1.00 0.00 O ATOM 477 CB VAL A 34 0.014 3.416 -3.747 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.402 2.916 -3.986 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.140 4.048 -2.369 1.00 0.00 C ATOM 0 H VAL A 34 2.487 3.752 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 34 0.853 1.526 -3.128 1.00 0.00 H new ATOM 0 HB VAL A 34 0.234 4.179 -4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.104 3.741 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.480 2.515 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.638 2.133 -3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.583 4.858 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.053 3.295 -1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.147 4.444 -2.241 1.00 0.00 H new ATOM 489 N LEU A 35 0.038 0.553 -5.307 1.00 0.00 N ATOM 490 CA LEU A 35 -0.233 -0.160 -6.550 1.00 0.00 C ATOM 491 C LEU A 35 -1.722 -0.137 -6.878 1.00 0.00 C ATOM 492 O LEU A 35 -2.111 0.015 -8.035 1.00 0.00 O ATOM 493 CB LEU A 35 0.256 -1.606 -6.449 1.00 0.00 C ATOM 494 CG LEU A 35 1.750 -1.793 -6.183 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.090 -3.270 -6.062 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.573 -1.142 -7.285 1.00 0.00 C ATOM 0 H LEU A 35 -0.429 0.164 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 35 0.305 0.344 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.299 -2.101 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.006 -2.119 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 35 1.995 -1.307 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.157 -3.383 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.527 -3.707 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.830 -3.780 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.634 -1.285 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.324 -1.599 -8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.351 -0.075 -7.323 1.00 0.00 H new ATOM 508 N ALA A 36 -2.552 -0.285 -5.850 1.00 0.00 N ATOM 509 CA ALA A 36 -3.998 -0.277 -6.028 1.00 0.00 C ATOM 510 C ALA A 36 -4.717 -0.252 -4.683 1.00 0.00 C ATOM 511 O ALA A 36 -4.083 -0.172 -3.630 1.00 0.00 O ATOM 512 CB ALA A 36 -4.437 -1.485 -6.841 1.00 0.00 C ATOM 0 H ALA A 36 -2.247 -0.412 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.267 0.629 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.520 -1.466 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.958 -1.458 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.148 -2.398 -6.321 1.00 0.00 H new ATOM 518 N VAL A 37 -6.043 -0.322 -4.724 1.00 0.00 N ATOM 519 CA VAL A 37 -6.848 -0.308 -3.509 1.00 0.00 C ATOM 520 C VAL A 37 -7.844 -1.462 -3.496 1.00 0.00 C ATOM 521 O VAL A 37 -8.308 -1.907 -4.545 1.00 0.00 O ATOM 522 CB VAL A 37 -7.615 1.019 -3.358 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.693 0.895 -2.292 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.656 2.154 -3.029 1.00 0.00 C ATOM 0 H VAL A 37 -6.583 -0.389 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.158 -0.417 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.101 1.248 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.224 1.842 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.396 0.111 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.233 0.642 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.215 3.084 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.140 1.935 -2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.925 2.257 -3.831 1.00 0.00 H new ATOM 534 N ASN A 38 -8.170 -1.942 -2.300 1.00 0.00 N ATOM 535 CA ASN A 38 -9.112 -3.046 -2.151 1.00 0.00 C ATOM 536 C ASN A 38 -10.396 -2.576 -1.474 1.00 0.00 C ATOM 537 O ASN A 38 -10.540 -1.400 -1.142 1.00 0.00 O ATOM 538 CB ASN A 38 -8.479 -4.178 -1.339 1.00 0.00 C ATOM 539 CG ASN A 38 -8.332 -3.825 0.128 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.830 -2.795 0.584 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.645 -4.681 0.877 1.00 0.00 N ATOM 0 H ASN A 38 -7.796 -1.584 -1.421 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.360 -3.417 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.090 -5.076 -1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.499 -4.414 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.513 -4.497 1.871 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.250 -5.522 0.457 1.00 0.00 H new ATOM 548 N GLN A 39 -11.325 -3.505 -1.272 1.00 0.00 N ATOM 549 CA GLN A 39 -12.597 -3.186 -0.634 1.00 0.00 C ATOM 550 C GLN A 39 -12.424 -3.014 0.871 1.00 0.00 C ATOM 551 O GLN A 39 -13.342 -2.577 1.565 1.00 0.00 O ATOM 552 CB GLN A 39 -13.624 -4.283 -0.919 1.00 0.00 C ATOM 553 CG GLN A 39 -15.057 -3.867 -0.625 1.00 0.00 C ATOM 554 CD GLN A 39 -15.732 -3.217 -1.816 1.00 0.00 C ATOM 555 OE1 GLN A 39 -15.812 -3.804 -2.896 1.00 0.00 O ATOM 556 NE2 GLN A 39 -16.221 -1.997 -1.627 1.00 0.00 N ATOM 0 H GLN A 39 -11.221 -4.483 -1.541 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.956 -2.245 -1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.548 -4.578 -1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.380 -5.162 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.630 -4.743 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.065 -3.173 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.133 -1.548 -0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.685 -1.509 -2.393 1.00 0.00 H new ATOM 565 N GLN A 40 -11.241 -3.359 1.369 1.00 0.00 N ATOM 566 CA GLN A 40 -10.949 -3.244 2.793 1.00 0.00 C ATOM 567 C GLN A 40 -10.301 -1.899 3.108 1.00 0.00 C ATOM 568 O GLN A 40 -9.580 -1.763 4.095 1.00 0.00 O ATOM 569 CB GLN A 40 -10.031 -4.383 3.241 1.00 0.00 C ATOM 570 CG GLN A 40 -10.780 -5.622 3.702 1.00 0.00 C ATOM 571 CD GLN A 40 -11.476 -5.421 5.034 1.00 0.00 C ATOM 572 OE1 GLN A 40 -12.674 -5.673 5.166 1.00 0.00 O ATOM 573 NE2 GLN A 40 -10.726 -4.965 6.031 1.00 0.00 N ATOM 0 H GLN A 40 -10.470 -3.720 0.808 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.891 -3.310 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.372 -4.653 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.396 -4.029 4.053 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.518 -5.897 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.082 -6.455 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.737 -4.769 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.139 -4.810 6.951 1.00 0.00 H new ATOM 582 N ASN A 41 -10.564 -0.909 2.262 1.00 0.00 N ATOM 583 CA ASN A 41 -10.006 0.426 2.450 1.00 0.00 C ATOM 584 C ASN A 41 -8.490 0.364 2.606 1.00 0.00 C ATOM 585 O ASN A 41 -7.896 1.167 3.325 1.00 0.00 O ATOM 586 CB ASN A 41 -10.630 1.093 3.677 1.00 0.00 C ATOM 587 CG ASN A 41 -10.600 2.607 3.590 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.642 3.192 3.083 1.00 0.00 O ATOM 589 ND2 ASN A 41 -11.651 3.249 4.085 1.00 0.00 N ATOM 0 H ASN A 41 -11.160 -1.005 1.440 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.238 1.019 1.565 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.662 0.758 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.097 0.773 4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.687 4.268 4.054 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.423 2.723 4.496 1.00 0.00 H new ATOM 596 N MET A 42 -7.869 -0.595 1.927 1.00 0.00 N ATOM 597 CA MET A 42 -6.421 -0.760 1.989 1.00 0.00 C ATOM 598 C MET A 42 -5.772 -0.371 0.665 1.00 0.00 C ATOM 599 O MET A 42 -6.458 -0.185 -0.342 1.00 0.00 O ATOM 600 CB MET A 42 -6.066 -2.207 2.338 1.00 0.00 C ATOM 601 CG MET A 42 -6.661 -2.678 3.655 1.00 0.00 C ATOM 602 SD MET A 42 -5.640 -3.917 4.476 1.00 0.00 S ATOM 603 CE MET A 42 -4.351 -2.886 5.171 1.00 0.00 C ATOM 0 H MET A 42 -8.345 -1.269 1.328 1.00 0.00 H new ATOM 0 HA MET A 42 -6.038 -0.101 2.768 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.413 -2.861 1.538 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.981 -2.306 2.383 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.790 -1.822 4.318 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.653 -3.093 3.473 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.376 -3.278 4.882 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.458 -1.868 4.797 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.433 -2.884 6.258 1.00 0.00 H new ATOM 613 N CYS A 43 -4.450 -0.248 0.672 1.00 0.00 N ATOM 614 CA CYS A 43 -3.709 0.120 -0.529 1.00 0.00 C ATOM 615 C CYS A 43 -2.512 -0.802 -0.734 1.00 0.00 C ATOM 616 O CYS A 43 -1.584 -0.822 0.076 1.00 0.00 O ATOM 617 CB CYS A 43 -3.240 1.573 -0.438 1.00 0.00 C ATOM 618 SG CYS A 43 -4.564 2.790 -0.622 1.00 0.00 S ATOM 0 H CYS A 43 -3.869 -0.398 1.497 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.376 0.014 -1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.752 1.726 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.489 1.750 -1.208 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.068 3.988 -0.528 1.00 0.00 H new ATOM 624 N LEU A 44 -2.539 -1.566 -1.820 1.00 0.00 N ATOM 625 CA LEU A 44 -1.457 -2.493 -2.132 1.00 0.00 C ATOM 626 C LEU A 44 -0.153 -1.742 -2.385 1.00 0.00 C ATOM 627 O LEU A 44 0.089 -1.253 -3.489 1.00 0.00 O ATOM 628 CB LEU A 44 -1.818 -3.338 -3.354 1.00 0.00 C ATOM 629 CG LEU A 44 -0.789 -4.390 -3.771 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.454 -5.302 -2.601 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.304 -5.201 -4.951 1.00 0.00 C ATOM 0 H LEU A 44 -3.299 -1.562 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.316 -3.150 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.764 -3.843 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.985 -2.668 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 44 0.123 -3.877 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.280 -6.044 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.042 -4.709 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.359 -5.807 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.559 -5.945 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.230 -5.703 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.493 -4.537 -5.794 1.00 0.00 H new ATOM 643 N VAL A 45 0.684 -1.656 -1.357 1.00 0.00 N ATOM 644 CA VAL A 45 1.965 -0.968 -1.469 1.00 0.00 C ATOM 645 C VAL A 45 3.122 -1.961 -1.496 1.00 0.00 C ATOM 646 O VAL A 45 3.117 -2.956 -0.770 1.00 0.00 O ATOM 647 CB VAL A 45 2.176 0.018 -0.305 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.143 1.133 -0.356 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.119 -0.712 1.028 1.00 0.00 C ATOM 0 H VAL A 45 0.498 -2.054 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 45 1.945 -0.413 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 45 3.164 0.466 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.308 1.820 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.237 1.673 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.143 0.706 -0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.270 -0.000 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.145 -1.189 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.901 -1.471 1.061 1.00 0.00 H new ATOM 659 N TYR A 46 4.112 -1.684 -2.336 1.00 0.00 N ATOM 660 CA TYR A 46 5.276 -2.554 -2.459 1.00 0.00 C ATOM 661 C TYR A 46 6.404 -2.088 -1.544 1.00 0.00 C ATOM 662 O TYR A 46 6.989 -1.026 -1.755 1.00 0.00 O ATOM 663 CB TYR A 46 5.762 -2.589 -3.909 1.00 0.00 C ATOM 664 CG TYR A 46 6.971 -3.472 -4.121 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.239 -3.051 -3.738 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.846 -4.727 -4.704 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.346 -3.854 -3.931 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.948 -5.537 -4.899 1.00 0.00 C ATOM 669 CZ TYR A 46 9.196 -5.096 -4.511 1.00 0.00 C ATOM 670 OH TYR A 46 10.297 -5.899 -4.704 1.00 0.00 O ATOM 0 H TYR A 46 4.132 -0.864 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 46 4.980 -3.559 -2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.951 -2.939 -4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.003 -1.575 -4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.361 -2.080 -3.282 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.871 -5.075 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.324 -3.511 -3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.833 -6.510 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 46 10.019 -6.740 -5.123 1.00 0.00 H new ATOM 680 N GLN A 47 6.703 -2.891 -0.528 1.00 0.00 N ATOM 681 CA GLN A 47 7.761 -2.561 0.420 1.00 0.00 C ATOM 682 C GLN A 47 9.090 -3.172 -0.012 1.00 0.00 C ATOM 683 O GLN A 47 9.286 -4.386 0.033 1.00 0.00 O ATOM 684 CB GLN A 47 7.392 -3.053 1.821 1.00 0.00 C ATOM 685 CG GLN A 47 8.590 -3.227 2.740 1.00 0.00 C ATOM 686 CD GLN A 47 8.229 -3.074 4.204 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.791 -4.164 4.823 1.00 0.00 O flip ATOM 688 NE2 GLN A 47 8.341 -1.988 4.773 1.00 0.00 N flip ATOM 0 H GLN A 47 6.228 -3.774 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 47 7.870 -1.477 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.697 -2.346 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.868 -4.005 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.027 -4.212 2.578 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.353 -2.493 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.682 -1.176 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.093 -1.901 5.759 1.00 0.00 H new ATOM 697 N PRO A 48 10.025 -2.312 -0.443 1.00 0.00 N ATOM 698 CA PRO A 48 11.351 -2.744 -0.892 1.00 0.00 C ATOM 699 C PRO A 48 12.213 -3.258 0.256 1.00 0.00 C ATOM 700 O PRO A 48 11.889 -3.056 1.426 1.00 0.00 O ATOM 701 CB PRO A 48 11.957 -1.471 -1.488 1.00 0.00 C ATOM 702 CG PRO A 48 11.253 -0.356 -0.793 1.00 0.00 C ATOM 703 CD PRO A 48 9.859 -0.851 -0.525 1.00 0.00 C ATOM 0 HA PRO A 48 11.292 -3.574 -1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.033 -1.427 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.803 -1.426 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.759 -0.093 0.136 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.237 0.541 -1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.458 -0.440 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.172 -0.569 -1.323 1.00 0.00 H new ATOM 711 N ALA A 49 13.312 -3.923 -0.087 1.00 0.00 N ATOM 712 CA ALA A 49 14.221 -4.463 0.916 1.00 0.00 C ATOM 713 C ALA A 49 14.597 -3.402 1.945 1.00 0.00 C ATOM 714 O ALA A 49 15.339 -2.467 1.644 1.00 0.00 O ATOM 715 CB ALA A 49 15.470 -5.021 0.250 1.00 0.00 C ATOM 0 H ALA A 49 13.594 -4.100 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 49 13.708 -5.271 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.140 -5.421 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.190 -5.816 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.976 -4.226 -0.298 1.00 0.00 H new ATOM 721 N SER A 50 14.079 -3.553 3.160 1.00 0.00 N ATOM 722 CA SER A 50 14.357 -2.605 4.232 1.00 0.00 C ATOM 723 C SER A 50 14.878 -3.325 5.473 1.00 0.00 C ATOM 724 O SER A 50 14.683 -4.530 5.632 1.00 0.00 O ATOM 725 CB SER A 50 13.096 -1.813 4.581 1.00 0.00 C ATOM 726 OG SER A 50 13.423 -0.574 5.187 1.00 0.00 O ATOM 0 H SER A 50 13.465 -4.323 3.426 1.00 0.00 H new ATOM 0 HA SER A 50 15.126 -1.916 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.512 -1.637 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.471 -2.398 5.256 1.00 0.00 H new ATOM 0 HG SER A 50 12.651 -0.243 5.692 1.00 0.00 H new ATOM 732 N ASP A 51 15.542 -2.577 6.347 1.00 0.00 N ATOM 733 CA ASP A 51 16.091 -3.142 7.575 1.00 0.00 C ATOM 734 C ASP A 51 15.032 -3.943 8.326 1.00 0.00 C ATOM 735 O ASP A 51 15.307 -5.026 8.842 1.00 0.00 O ATOM 736 CB ASP A 51 16.640 -2.032 8.472 1.00 0.00 C ATOM 737 CG ASP A 51 17.818 -1.311 7.845 1.00 0.00 C ATOM 738 OD1 ASP A 51 17.636 -0.700 6.772 1.00 0.00 O ATOM 739 OD2 ASP A 51 18.922 -1.359 8.428 1.00 0.00 O ATOM 0 H ASP A 51 15.713 -1.578 6.229 1.00 0.00 H new ATOM 0 HA ASP A 51 16.905 -3.815 7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.848 -1.313 8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.945 -2.458 9.428 1.00 0.00 H new ATOM 744 N HIS A 52 13.819 -3.401 8.384 1.00 0.00 N ATOM 745 CA HIS A 52 12.718 -4.065 9.073 1.00 0.00 C ATOM 746 C HIS A 52 12.309 -5.340 8.341 1.00 0.00 C ATOM 747 O HIS A 52 12.362 -6.434 8.903 1.00 0.00 O ATOM 748 CB HIS A 52 11.519 -3.123 9.189 1.00 0.00 C ATOM 749 CG HIS A 52 11.758 -1.959 10.100 1.00 0.00 C ATOM 750 ND1 HIS A 52 11.968 -2.095 11.456 1.00 0.00 N ATOM 751 CD2 HIS A 52 11.823 -0.631 9.843 1.00 0.00 C ATOM 752 CE1 HIS A 52 12.149 -0.902 11.994 1.00 0.00 C ATOM 753 NE2 HIS A 52 12.066 0.003 11.036 1.00 0.00 N ATOM 0 H HIS A 52 13.574 -2.505 7.963 1.00 0.00 H new ATOM 0 HA HIS A 52 13.057 -4.334 10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.262 -2.751 8.197 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.659 -3.686 9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.706 -0.159 8.879 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.333 -0.701 13.039 1.00 0.00 H new ATOM 0 HE2 HIS A 52 12.166 1.010 11.162 1.00 0.00 H new ATOM 762 N SER A 53 11.899 -5.190 7.085 1.00 0.00 N ATOM 763 CA SER A 53 11.477 -6.329 6.278 1.00 0.00 C ATOM 764 C SER A 53 12.038 -6.230 4.863 1.00 0.00 C ATOM 765 O SER A 53 12.166 -5.147 4.292 1.00 0.00 O ATOM 766 CB SER A 53 9.949 -6.407 6.229 1.00 0.00 C ATOM 767 OG SER A 53 9.406 -6.594 7.524 1.00 0.00 O ATOM 0 H SER A 53 11.850 -4.291 6.605 1.00 0.00 H new ATOM 0 HA SER A 53 11.866 -7.236 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.549 -5.492 5.792 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.644 -7.229 5.581 1.00 0.00 H new ATOM 0 HG SER A 53 8.429 -6.639 7.466 1.00 0.00 H new ATOM 773 N PRO A 54 12.383 -7.389 4.282 1.00 0.00 N ATOM 774 CA PRO A 54 12.936 -7.461 2.927 1.00 0.00 C ATOM 775 C PRO A 54 11.902 -7.121 1.859 1.00 0.00 C ATOM 776 O PRO A 54 10.754 -6.804 2.172 1.00 0.00 O ATOM 777 CB PRO A 54 13.374 -8.922 2.800 1.00 0.00 C ATOM 778 CG PRO A 54 12.509 -9.662 3.760 1.00 0.00 C ATOM 779 CD PRO A 54 12.258 -8.718 4.904 1.00 0.00 C ATOM 0 HA PRO A 54 13.744 -6.744 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.239 -9.288 1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.429 -9.042 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.573 -9.963 3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.999 -10.572 4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.270 -8.867 5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.983 -8.856 5.706 1.00 0.00 H new ATOM 787 N ALA A 55 12.315 -7.188 0.598 1.00 0.00 N ATOM 788 CA ALA A 55 11.423 -6.889 -0.515 1.00 0.00 C ATOM 789 C ALA A 55 10.171 -7.757 -0.463 1.00 0.00 C ATOM 790 O ALA A 55 10.251 -8.983 -0.529 1.00 0.00 O ATOM 791 CB ALA A 55 12.148 -7.083 -1.839 1.00 0.00 C ATOM 0 H ALA A 55 13.262 -7.447 0.322 1.00 0.00 H new ATOM 0 HA ALA A 55 11.114 -5.847 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.470 -6.856 -2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.009 -6.416 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.485 -8.116 -1.921 1.00 0.00 H new ATOM 797 N ALA A 56 9.014 -7.113 -0.345 1.00 0.00 N ATOM 798 CA ALA A 56 7.745 -7.827 -0.285 1.00 0.00 C ATOM 799 C ALA A 56 6.572 -6.883 -0.529 1.00 0.00 C ATOM 800 O ALA A 56 6.653 -5.690 -0.237 1.00 0.00 O ATOM 801 CB ALA A 56 7.593 -8.523 1.059 1.00 0.00 C ATOM 0 H ALA A 56 8.930 -6.098 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 56 7.743 -8.580 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.640 -9.052 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.408 -9.234 1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.622 -7.782 1.858 1.00 0.00 H new ATOM 807 N GLU A 57 5.484 -7.424 -1.068 1.00 0.00 N ATOM 808 CA GLU A 57 4.296 -6.628 -1.352 1.00 0.00 C ATOM 809 C GLU A 57 3.218 -6.865 -0.298 1.00 0.00 C ATOM 810 O GLU A 57 2.744 -7.986 -0.120 1.00 0.00 O ATOM 811 CB GLU A 57 3.750 -6.966 -2.741 1.00 0.00 C ATOM 812 CG GLU A 57 2.893 -5.864 -3.342 1.00 0.00 C ATOM 813 CD GLU A 57 2.370 -6.218 -4.720 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.404 -7.005 -4.804 1.00 0.00 O ATOM 815 OE2 GLU A 57 2.926 -5.707 -5.715 1.00 0.00 O ATOM 0 H GLU A 57 5.401 -8.410 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 57 4.579 -5.576 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.585 -7.171 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.160 -7.880 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.052 -5.661 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.478 -4.947 -3.404 1.00 0.00 H new ATOM 822 N GLY A 58 2.836 -5.798 0.398 1.00 0.00 N ATOM 823 CA GLY A 58 1.817 -5.910 1.426 1.00 0.00 C ATOM 824 C GLY A 58 0.832 -4.758 1.393 1.00 0.00 C ATOM 825 O GLY A 58 1.145 -3.679 0.890 1.00 0.00 O ATOM 0 H GLY A 58 3.213 -4.859 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.278 -6.849 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.295 -5.947 2.405 1.00 0.00 H new ATOM 829 N TRP A 59 -0.362 -4.988 1.928 1.00 0.00 N ATOM 830 CA TRP A 59 -1.397 -3.961 1.956 1.00 0.00 C ATOM 831 C TRP A 59 -1.279 -3.103 3.211 1.00 0.00 C ATOM 832 O TRP A 59 -0.806 -3.566 4.249 1.00 0.00 O ATOM 833 CB TRP A 59 -2.784 -4.604 1.891 1.00 0.00 C ATOM 834 CG TRP A 59 -3.105 -5.189 0.549 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.675 -6.387 0.054 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.922 -4.601 -0.469 1.00 0.00 C ATOM 837 NE1 TRP A 59 -3.176 -6.579 -1.212 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.944 -5.499 -1.555 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.638 -3.405 -0.569 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.654 -5.235 -2.723 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.341 -3.145 -1.729 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.346 -4.057 -2.794 1.00 0.00 C ATOM 0 H TRP A 59 -0.637 -5.876 2.348 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.261 -3.319 1.086 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.849 -5.388 2.646 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.536 -3.856 2.142 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.036 -7.081 0.579 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.003 -7.394 -1.800 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.642 -2.697 0.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.658 -5.936 -3.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.897 -2.223 -1.817 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.907 -3.825 -3.687 1.00 0.00 H new ATOM 853 N VAL A 60 -1.713 -1.851 3.110 1.00 0.00 N ATOM 854 CA VAL A 60 -1.657 -0.929 4.238 1.00 0.00 C ATOM 855 C VAL A 60 -2.725 0.152 4.117 1.00 0.00 C ATOM 856 O VAL A 60 -3.105 0.565 3.021 1.00 0.00 O ATOM 857 CB VAL A 60 -0.274 -0.259 4.347 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.832 -1.276 4.109 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.165 0.900 3.368 1.00 0.00 C ATOM 0 H VAL A 60 -2.107 -1.452 2.258 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.839 -1.517 5.137 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.159 0.137 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.802 -0.785 4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.764 -2.069 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.724 -1.704 3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.818 1.362 3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.300 0.531 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.935 1.639 3.592 1.00 0.00 H new ATOM 869 N PRO A 61 -3.222 0.624 5.270 1.00 0.00 N ATOM 870 CA PRO A 61 -4.253 1.665 5.321 1.00 0.00 C ATOM 871 C PRO A 61 -3.725 3.025 4.878 1.00 0.00 C ATOM 872 O PRO A 61 -2.895 3.630 5.556 1.00 0.00 O ATOM 873 CB PRO A 61 -4.649 1.700 6.799 1.00 0.00 C ATOM 874 CG PRO A 61 -3.452 1.191 7.524 1.00 0.00 C ATOM 875 CD PRO A 61 -2.816 0.178 6.613 1.00 0.00 C ATOM 0 HA PRO A 61 -5.083 1.450 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.904 2.711 7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.522 1.076 6.990 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.759 2.001 7.751 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.735 0.738 8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.731 0.165 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.169 -0.831 6.825 1.00 0.00 H new ATOM 883 N GLY A 62 -4.213 3.502 3.737 1.00 0.00 N ATOM 884 CA GLY A 62 -3.779 4.788 3.224 1.00 0.00 C ATOM 885 C GLY A 62 -3.731 5.855 4.300 1.00 0.00 C ATOM 886 O GLY A 62 -3.042 6.864 4.153 1.00 0.00 O ATOM 0 H GLY A 62 -4.901 3.020 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.791 4.683 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.455 5.106 2.431 1.00 0.00 H new ATOM 890 N SER A 63 -4.467 5.633 5.385 1.00 0.00 N ATOM 891 CA SER A 63 -4.510 6.586 6.488 1.00 0.00 C ATOM 892 C SER A 63 -3.106 6.878 7.008 1.00 0.00 C ATOM 893 O SER A 63 -2.770 8.024 7.309 1.00 0.00 O ATOM 894 CB SER A 63 -5.384 6.047 7.621 1.00 0.00 C ATOM 895 OG SER A 63 -5.645 7.052 8.586 1.00 0.00 O ATOM 0 H SER A 63 -5.041 4.802 5.523 1.00 0.00 H new ATOM 0 HA SER A 63 -4.942 7.515 6.117 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.325 5.676 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.887 5.202 8.097 1.00 0.00 H new ATOM 0 HG SER A 63 -6.207 6.683 9.299 1.00 0.00 H new ATOM 901 N ILE A 64 -2.291 5.834 7.111 1.00 0.00 N ATOM 902 CA ILE A 64 -0.923 5.978 7.593 1.00 0.00 C ATOM 903 C ILE A 64 0.038 6.263 6.444 1.00 0.00 C ATOM 904 O ILE A 64 1.247 6.060 6.566 1.00 0.00 O ATOM 905 CB ILE A 64 -0.453 4.716 8.340 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.292 3.549 7.363 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.437 4.357 9.444 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.427 2.358 7.957 1.00 0.00 C ATOM 0 H ILE A 64 -2.554 4.879 6.867 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.919 6.821 8.284 1.00 0.00 H new ATOM 0 HB ILE A 64 0.516 4.921 8.795 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.278 3.234 7.020 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.256 3.893 6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.091 3.463 9.963 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.507 5.183 10.152 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.418 4.167 9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.505 1.570 7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.426 2.657 8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.131 1.988 8.817 1.00 0.00 H new ATOM 920 N LEU A 65 -0.506 6.735 5.328 1.00 0.00 N ATOM 921 CA LEU A 65 0.304 7.050 4.156 1.00 0.00 C ATOM 922 C LEU A 65 0.096 8.498 3.724 1.00 0.00 C ATOM 923 O LEU A 65 -1.018 9.017 3.774 1.00 0.00 O ATOM 924 CB LEU A 65 -0.045 6.107 3.003 1.00 0.00 C ATOM 925 CG LEU A 65 0.286 4.630 3.220 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.186 3.798 2.038 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.780 4.445 3.443 1.00 0.00 C ATOM 0 H LEU A 65 -1.504 6.908 5.210 1.00 0.00 H new ATOM 0 HA LEU A 65 1.352 6.917 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.112 6.193 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.478 6.448 2.110 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.239 4.287 4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.058 2.750 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.265 3.905 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.310 4.142 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.997 3.388 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.325 4.805 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.089 5.010 4.323 1.00 0.00 H new ATOM 939 N ALA A 66 1.177 9.144 3.299 1.00 0.00 N ATOM 940 CA ALA A 66 1.113 10.530 2.854 1.00 0.00 C ATOM 941 C ALA A 66 1.831 10.713 1.521 1.00 0.00 C ATOM 942 O ALA A 66 2.729 9.951 1.163 1.00 0.00 O ATOM 943 CB ALA A 66 1.710 11.451 3.908 1.00 0.00 C ATOM 0 H ALA A 66 2.108 8.729 3.254 1.00 0.00 H new ATOM 0 HA ALA A 66 0.065 10.791 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.656 12.483 3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.151 11.350 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.752 11.180 4.080 1.00 0.00 H new ATOM 949 N PRO A 67 1.427 11.747 0.768 1.00 0.00 N ATOM 950 CA PRO A 67 2.019 12.053 -0.538 1.00 0.00 C ATOM 951 C PRO A 67 3.448 12.571 -0.419 1.00 0.00 C ATOM 952 O PRO A 67 3.671 13.751 -0.146 1.00 0.00 O ATOM 953 CB PRO A 67 1.100 13.142 -1.097 1.00 0.00 C ATOM 954 CG PRO A 67 0.500 13.785 0.105 1.00 0.00 C ATOM 955 CD PRO A 67 0.362 12.696 1.132 1.00 0.00 C ATOM 0 HA PRO A 67 2.089 11.169 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.658 13.863 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.332 12.718 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.134 14.591 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.469 14.224 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.494 13.079 2.144 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.622 12.230 1.093 1.00 0.00 H new ATOM 963 N PHE A 68 4.414 11.683 -0.627 1.00 0.00 N ATOM 964 CA PHE A 68 5.823 12.051 -0.542 1.00 0.00 C ATOM 965 C PHE A 68 6.240 12.886 -1.749 1.00 0.00 C ATOM 966 O PHE A 68 6.381 12.368 -2.857 1.00 0.00 O ATOM 967 CB PHE A 68 6.695 10.797 -0.449 1.00 0.00 C ATOM 968 CG PHE A 68 8.154 11.095 -0.251 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.579 11.852 0.828 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.099 10.617 -1.144 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.920 12.128 1.015 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.442 10.889 -0.963 1.00 0.00 C ATOM 973 CZ PHE A 68 10.853 11.646 0.117 1.00 0.00 C ATOM 0 H PHE A 68 4.247 10.703 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 68 5.963 12.650 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.343 10.180 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.572 10.210 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.853 12.231 1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.783 10.026 -1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.238 12.719 1.861 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.170 10.510 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.902 11.861 0.259 1.00 0.00 H new ATOM 983 N SER A 69 6.435 14.182 -1.526 1.00 0.00 N ATOM 984 CA SER A 69 6.831 15.090 -2.595 1.00 0.00 C ATOM 985 C SER A 69 8.342 15.304 -2.594 1.00 0.00 C ATOM 986 O SER A 69 8.864 16.119 -1.834 1.00 0.00 O ATOM 987 CB SER A 69 6.115 16.434 -2.444 1.00 0.00 C ATOM 988 OG SER A 69 6.631 17.392 -3.351 1.00 0.00 O ATOM 0 H SER A 69 6.325 14.626 -0.614 1.00 0.00 H new ATOM 0 HA SER A 69 6.545 14.639 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.047 16.302 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.229 16.797 -1.423 1.00 0.00 H new ATOM 0 HG SER A 69 6.156 18.241 -3.235 1.00 0.00 H new ATOM 994 N GLY A 70 9.039 14.566 -3.452 1.00 0.00 N ATOM 995 CA GLY A 70 10.483 14.688 -3.535 1.00 0.00 C ATOM 996 C GLY A 70 10.968 14.877 -4.958 1.00 0.00 C ATOM 997 O GLY A 70 10.315 14.469 -5.919 1.00 0.00 O ATOM 0 H GLY A 70 8.629 13.885 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.809 15.533 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.945 13.796 -3.113 1.00 0.00 H new ATOM 1001 N PRO A 71 12.140 15.511 -5.109 1.00 0.00 N ATOM 1002 CA PRO A 71 12.738 15.769 -6.422 1.00 0.00 C ATOM 1003 C PRO A 71 13.231 14.493 -7.095 1.00 0.00 C ATOM 1004 O PRO A 71 13.438 14.460 -8.308 1.00 0.00 O ATOM 1005 CB PRO A 71 13.915 16.693 -6.101 1.00 0.00 C ATOM 1006 CG PRO A 71 14.266 16.382 -4.687 1.00 0.00 C ATOM 1007 CD PRO A 71 12.973 16.025 -4.008 1.00 0.00 C ATOM 0 HA PRO A 71 12.019 16.199 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.757 16.508 -6.768 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.639 17.741 -6.219 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.976 15.556 -4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.737 17.239 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.121 15.274 -3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.517 16.892 -3.530 1.00 0.00 H new ATOM 1015 N SER A 72 13.416 13.444 -6.301 1.00 0.00 N ATOM 1016 CA SER A 72 13.888 12.165 -6.820 1.00 0.00 C ATOM 1017 C SER A 72 13.277 11.876 -8.187 1.00 0.00 C ATOM 1018 O SER A 72 12.115 12.193 -8.440 1.00 0.00 O ATOM 1019 CB SER A 72 13.544 11.037 -5.846 1.00 0.00 C ATOM 1020 OG SER A 72 14.398 11.061 -4.715 1.00 0.00 O ATOM 0 H SER A 72 13.246 13.454 -5.295 1.00 0.00 H new ATOM 0 HA SER A 72 14.971 12.222 -6.930 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.507 11.134 -5.525 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.633 10.076 -6.352 1.00 0.00 H new ATOM 0 HG SER A 72 14.156 10.331 -4.107 1.00 0.00 H new ATOM 1026 N SER A 73 14.070 11.271 -9.067 1.00 0.00 N ATOM 1027 CA SER A 73 13.609 10.941 -10.410 1.00 0.00 C ATOM 1028 C SER A 73 13.736 9.444 -10.676 1.00 0.00 C ATOM 1029 O SER A 73 12.758 8.776 -11.008 1.00 0.00 O ATOM 1030 CB SER A 73 14.408 11.725 -11.453 1.00 0.00 C ATOM 1031 OG SER A 73 14.212 11.193 -12.752 1.00 0.00 O ATOM 0 H SER A 73 15.034 11.000 -8.873 1.00 0.00 H new ATOM 0 HA SER A 73 12.557 11.218 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.105 12.772 -11.436 1.00 0.00 H new ATOM 0 HB3 SER A 73 15.468 11.696 -11.201 1.00 0.00 H new ATOM 0 HG SER A 73 14.732 11.712 -13.400 1.00 0.00 H new ATOM 1037 N GLY A 74 14.951 8.924 -10.528 1.00 0.00 N ATOM 1038 CA GLY A 74 15.185 7.510 -10.755 1.00 0.00 C ATOM 1039 C GLY A 74 15.366 6.737 -9.464 1.00 0.00 C ATOM 1040 O GLY A 74 14.391 6.392 -8.797 1.00 0.00 O ATOM 0 H GLY A 74 15.777 9.457 -10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.346 7.091 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.072 7.387 -11.376 1.00 0.00 H new TER 1044 GLY A 74