USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot -178:sc= 0.601 USER MOD Set 1.2: A 95 ASN : amide:sc= -0.0414 K(o=0.56,f=-6.1!) USER MOD Set 2.1: A 29 SER OG : rot -179:sc= 0.216 USER MOD Set 2.2: A 51 HIS : no HE2:sc= 1.35 K(o=1.6,f=-4.2!) USER MOD Set 3.1: A 17 SER OG : rot -165:sc= -2.53! USER MOD Set 3.2: A 21 CYS SG : rot 172:sc= 1.34 USER MOD Set 3.3: A 42 HIS :FLIP no HD1:sc= 0.607 F(o=-3.9,f=-2.5) USER MOD Set 3.4: A 45 CYS SG : rot -156:sc= -1.64! USER MOD Set 3.5: A 53 HIS :FLIP no HE2:sc= -0.287 X(o=-3,f=-2.5) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.115 (180deg=-0.679) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0175 (180deg=-0.0802) USER MOD Single : A 2 THR OG1 : rot 98:sc= 1.2 USER MOD Single : A 3 MET CE :methyl -162:sc= -0.168 (180deg=-0.701) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -17:sc= -4.75! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.544 K(o=0.54,f=-5.6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.14 USER MOD Single : A 49 SER OG : rot 120:sc= 0.588 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 120:sc= -1.2 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -169:sc= 0.529 USER MOD Single : A 79 TYR OH : rot -140:sc= -1.05 USER MOD Single : A 84 MET CE :methyl 161:sc= -0.221 (180deg=-0.874) USER MOD Single : A 88 SER OG : rot -79:sc= 0.525 USER MOD Single : A 91 MET CE :methyl -159:sc= -0.178 (180deg=-0.777) USER MOD Single : A 92 THR OG1 : rot 93:sc= 1.17 USER MOD Single : A 94 HIS : no HE2:sc= 1.28 K(o=1.3,f=-4.1!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.675 1.618 -2.151 1.00 0.00 N ATOM 2 CA MET A 1 3.418 0.953 -1.746 1.00 0.00 C ATOM 3 C MET A 1 3.506 -0.549 -1.964 1.00 0.00 C ATOM 4 O MET A 1 4.178 -1.014 -2.885 1.00 0.00 O ATOM 5 CB MET A 1 2.226 1.516 -2.525 1.00 0.00 C ATOM 6 CG MET A 1 2.333 1.352 -4.033 1.00 0.00 C ATOM 7 SD MET A 1 0.899 2.010 -4.910 1.00 0.00 S ATOM 8 CE MET A 1 -0.403 0.953 -4.278 1.00 0.00 C ATOM 0 H1 MET A 1 4.454 2.467 -2.710 1.00 0.00 H new ATOM 0 H2 MET A 1 5.212 1.891 -1.303 1.00 0.00 H new ATOM 0 H3 MET A 1 5.244 0.964 -2.725 1.00 0.00 H new ATOM 0 HA MET A 1 3.269 1.149 -0.684 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.316 1.024 -2.181 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.122 2.576 -2.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.232 1.856 -4.386 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.446 0.295 -4.272 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.256 0.981 -4.956 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.035 -0.070 -4.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.711 1.304 -3.293 1.00 0.00 H new ATOM 20 N THR A 2 2.822 -1.299 -1.113 1.00 0.00 N ATOM 21 CA THR A 2 2.800 -2.750 -1.209 1.00 0.00 C ATOM 22 C THR A 2 1.463 -3.282 -0.700 1.00 0.00 C ATOM 23 O THR A 2 0.865 -2.703 0.210 1.00 0.00 O ATOM 24 CB THR A 2 3.949 -3.390 -0.394 1.00 0.00 C ATOM 25 OG1 THR A 2 5.193 -2.745 -0.699 1.00 0.00 O ATOM 26 CG2 THR A 2 4.073 -4.877 -0.692 1.00 0.00 C ATOM 0 H THR A 2 2.271 -0.922 -0.342 1.00 0.00 H new ATOM 0 HA THR A 2 2.934 -3.017 -2.257 1.00 0.00 H new ATOM 0 HB THR A 2 3.716 -3.261 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.393 -2.078 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.889 -5.299 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.141 -5.379 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.278 -5.020 -1.753 1.00 0.00 H new ATOM 34 N MET A 3 0.979 -4.353 -1.313 1.00 0.00 N ATOM 35 CA MET A 3 -0.244 -5.006 -0.865 1.00 0.00 C ATOM 36 C MET A 3 -0.045 -5.607 0.522 1.00 0.00 C ATOM 37 O MET A 3 0.943 -6.301 0.768 1.00 0.00 O ATOM 38 CB MET A 3 -0.651 -6.102 -1.854 1.00 0.00 C ATOM 39 CG MET A 3 -1.900 -6.870 -1.451 1.00 0.00 C ATOM 40 SD MET A 3 -2.330 -8.160 -2.637 1.00 0.00 S ATOM 41 CE MET A 3 -2.644 -7.181 -4.104 1.00 0.00 C ATOM 0 H MET A 3 1.416 -4.790 -2.125 1.00 0.00 H new ATOM 0 HA MET A 3 -1.037 -4.260 -0.816 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.815 -5.651 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.175 -6.804 -1.962 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.746 -7.320 -0.470 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.735 -6.176 -1.356 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.217 -7.771 -4.819 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.210 -6.290 -3.832 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.696 -6.886 -4.554 1.00 0.00 H new ATOM 51 N GLY A 4 -0.970 -5.314 1.427 1.00 0.00 N ATOM 52 CA GLY A 4 -0.921 -5.895 2.752 1.00 0.00 C ATOM 53 C GLY A 4 -1.021 -7.404 2.704 1.00 0.00 C ATOM 54 O GLY A 4 -1.981 -7.948 2.159 1.00 0.00 O ATOM 0 H GLY A 4 -1.755 -4.683 1.265 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.009 -5.607 3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.736 -5.495 3.355 1.00 0.00 H new ATOM 58 N CYS A 5 -0.024 -8.078 3.260 1.00 0.00 N ATOM 59 CA CYS A 5 0.029 -9.536 3.220 1.00 0.00 C ATOM 60 C CYS A 5 -1.035 -10.130 4.140 1.00 0.00 C ATOM 61 O CYS A 5 -1.632 -9.408 4.934 1.00 0.00 O ATOM 62 CB CYS A 5 1.419 -10.027 3.623 1.00 0.00 C ATOM 63 SG CYS A 5 1.858 -9.700 5.361 1.00 0.00 S ATOM 0 H CYS A 5 0.760 -7.640 3.744 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.172 -9.865 2.201 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.479 -11.100 3.442 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.159 -9.553 2.979 1.00 0.00 H new ATOM 68 N ARG A 6 -1.263 -11.440 4.047 1.00 0.00 N ATOM 69 CA ARG A 6 -2.299 -12.099 4.851 1.00 0.00 C ATOM 70 C ARG A 6 -2.073 -11.886 6.351 1.00 0.00 C ATOM 71 O ARG A 6 -3.018 -11.904 7.135 1.00 0.00 O ATOM 72 CB ARG A 6 -2.372 -13.597 4.528 1.00 0.00 C ATOM 73 CG ARG A 6 -1.068 -14.345 4.746 1.00 0.00 C ATOM 74 CD ARG A 6 -1.178 -15.801 4.324 1.00 0.00 C ATOM 75 NE ARG A 6 -2.073 -16.566 5.191 1.00 0.00 N ATOM 76 CZ ARG A 6 -2.909 -17.506 4.753 1.00 0.00 C ATOM 77 NH1 ARG A 6 -3.078 -17.697 3.449 1.00 0.00 N ATOM 78 NH2 ARG A 6 -3.602 -18.233 5.621 1.00 0.00 N ATOM 0 H ARG A 6 -0.749 -12.066 3.427 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.252 -11.640 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.147 -14.053 5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.678 -13.719 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.272 -13.861 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.789 -14.291 5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.540 -15.853 3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.188 -16.256 4.337 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.056 -16.368 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.567 -17.123 2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.719 -18.418 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.494 -18.072 6.622 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.242 -18.953 5.287 1.00 0.00 H new ATOM 92 N HIS A 7 -0.818 -11.662 6.738 1.00 0.00 N ATOM 93 CA HIS A 7 -0.481 -11.372 8.132 1.00 0.00 C ATOM 94 C HIS A 7 -1.131 -10.072 8.601 1.00 0.00 C ATOM 95 O HIS A 7 -1.365 -9.885 9.793 1.00 0.00 O ATOM 96 CB HIS A 7 1.033 -11.260 8.326 1.00 0.00 C ATOM 97 CG HIS A 7 1.789 -12.519 8.053 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.960 -12.501 7.338 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.521 -13.790 8.436 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.379 -13.752 7.301 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.539 -14.568 7.954 1.00 0.00 N ATOM 0 H HIS A 7 -0.017 -11.676 6.106 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.862 -12.203 8.726 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.413 -10.475 7.673 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.233 -10.947 9.351 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.670 -14.125 9.010 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.283 -14.077 6.808 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.639 -15.576 8.070 1.00 0.00 H new ATOM 109 N VAL A 8 -1.410 -9.173 7.661 1.00 0.00 N ATOM 110 CA VAL A 8 -1.980 -7.871 7.987 1.00 0.00 C ATOM 111 C VAL A 8 -3.389 -8.034 8.557 1.00 0.00 C ATOM 112 O VAL A 8 -3.860 -7.206 9.326 1.00 0.00 O ATOM 113 CB VAL A 8 -1.987 -6.914 6.764 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.331 -6.900 6.054 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.597 -5.509 7.186 1.00 0.00 C ATOM 0 H VAL A 8 -1.250 -9.324 6.665 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.344 -7.415 8.746 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.250 -7.291 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.287 -6.217 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.566 -7.904 5.700 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.105 -6.570 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.607 -4.852 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.307 -5.141 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.596 -5.523 7.618 1.00 0.00 H new ATOM 125 N ALA A 9 -4.063 -9.107 8.170 1.00 0.00 N ATOM 126 CA ALA A 9 -5.387 -9.398 8.697 1.00 0.00 C ATOM 127 C ALA A 9 -5.297 -9.978 10.109 1.00 0.00 C ATOM 128 O ALA A 9 -6.315 -10.225 10.756 1.00 0.00 O ATOM 129 CB ALA A 9 -6.122 -10.356 7.777 1.00 0.00 C ATOM 0 H ALA A 9 -3.716 -9.788 7.495 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.946 -8.464 8.749 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.111 -10.565 8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.224 -9.906 6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.560 -11.286 7.696 1.00 0.00 H new ATOM 135 N GLY A 10 -4.073 -10.192 10.579 1.00 0.00 N ATOM 136 CA GLY A 10 -3.866 -10.759 11.898 1.00 0.00 C ATOM 137 C GLY A 10 -3.392 -9.734 12.913 1.00 0.00 C ATOM 138 O GLY A 10 -3.230 -10.050 14.093 1.00 0.00 O ATOM 0 H GLY A 10 -3.217 -9.981 10.067 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.798 -11.205 12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.133 -11.563 11.832 1.00 0.00 H new ATOM 142 N ILE A 11 -3.162 -8.505 12.465 1.00 0.00 N ATOM 143 CA ILE A 11 -2.742 -7.442 13.370 1.00 0.00 C ATOM 144 C ILE A 11 -3.953 -6.746 13.969 1.00 0.00 C ATOM 145 O ILE A 11 -5.024 -6.701 13.360 1.00 0.00 O ATOM 146 CB ILE A 11 -1.843 -6.389 12.680 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.561 -5.774 11.475 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.518 -7.012 12.267 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.745 -4.748 10.717 1.00 0.00 C ATOM 0 H ILE A 11 -3.258 -8.222 11.490 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.155 -7.919 14.154 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.635 -5.589 13.391 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.845 -6.573 10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.484 -5.305 11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.103 -6.258 11.783 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.004 -7.393 13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.702 -7.831 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.329 -4.364 9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.483 -3.926 11.384 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.834 -5.214 10.340 1.00 0.00 H new ATOM 161 N ARG A 12 -3.786 -6.216 15.165 1.00 0.00 N ATOM 162 CA ARG A 12 -4.865 -5.521 15.842 1.00 0.00 C ATOM 163 C ARG A 12 -4.492 -4.067 16.079 1.00 0.00 C ATOM 164 O ARG A 12 -3.335 -3.675 15.900 1.00 0.00 O ATOM 165 CB ARG A 12 -5.203 -6.210 17.169 1.00 0.00 C ATOM 166 CG ARG A 12 -4.021 -6.333 18.120 1.00 0.00 C ATOM 167 CD ARG A 12 -4.438 -6.939 19.450 1.00 0.00 C ATOM 168 NE ARG A 12 -3.306 -7.094 20.363 1.00 0.00 N ATOM 169 CZ ARG A 12 -3.348 -6.809 21.665 1.00 0.00 C ATOM 170 NH1 ARG A 12 -4.464 -6.341 22.214 1.00 0.00 N ATOM 171 NH2 ARG A 12 -2.272 -6.993 22.418 1.00 0.00 N ATOM 0 H ARG A 12 -2.912 -6.253 15.689 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.748 -5.554 15.204 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.998 -5.653 17.664 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.594 -7.206 16.961 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.248 -6.951 17.664 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.584 -5.349 18.288 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.194 -6.306 19.915 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.899 -7.911 19.276 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.428 -7.443 19.979 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.294 -6.198 21.639 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.490 -6.125 23.210 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.413 -7.352 22.001 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.303 -6.775 23.414 1.00 0.00 H new ATOM 185 N THR A 13 -5.473 -3.264 16.452 1.00 0.00 N ATOM 186 CA THR A 13 -5.227 -1.876 16.786 1.00 0.00 C ATOM 187 C THR A 13 -4.691 -1.778 18.207 1.00 0.00 C ATOM 188 O THR A 13 -5.439 -1.864 19.184 1.00 0.00 O ATOM 189 CB THR A 13 -6.502 -1.029 16.623 1.00 0.00 C ATOM 190 OG1 THR A 13 -7.016 -1.208 15.297 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.216 0.447 16.866 1.00 0.00 C ATOM 0 H THR A 13 -6.448 -3.552 16.531 1.00 0.00 H new ATOM 0 HA THR A 13 -4.482 -1.480 16.097 1.00 0.00 H new ATOM 0 HB THR A 13 -7.236 -1.357 17.359 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.829 -0.673 15.186 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.135 1.021 16.744 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.836 0.582 17.879 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.472 0.796 16.150 1.00 0.00 H new ATOM 199 N VAL A 14 -3.381 -1.644 18.306 1.00 0.00 N ATOM 200 CA VAL A 14 -2.699 -1.629 19.586 1.00 0.00 C ATOM 201 C VAL A 14 -2.467 -0.199 20.059 1.00 0.00 C ATOM 202 O VAL A 14 -2.634 0.748 19.295 1.00 0.00 O ATOM 203 CB VAL A 14 -1.349 -2.373 19.490 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.572 -3.843 19.180 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.461 -1.738 18.430 1.00 0.00 C ATOM 0 H VAL A 14 -2.761 -1.543 17.502 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.334 -2.139 20.310 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.846 -2.294 20.454 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.610 -4.351 19.116 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.169 -4.295 19.972 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.097 -3.939 18.230 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.485 -2.276 18.378 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.959 -1.785 17.462 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.272 -0.697 18.690 1.00 0.00 H new ATOM 215 N THR A 15 -2.104 -0.048 21.320 1.00 0.00 N ATOM 216 CA THR A 15 -1.818 1.261 21.879 1.00 0.00 C ATOM 217 C THR A 15 -0.341 1.362 22.260 1.00 0.00 C ATOM 218 O THR A 15 0.190 0.478 22.934 1.00 0.00 O ATOM 219 CB THR A 15 -2.705 1.531 23.111 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.083 1.314 22.769 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.526 2.955 23.621 1.00 0.00 C ATOM 0 H THR A 15 -2.000 -0.820 21.979 1.00 0.00 H new ATOM 0 HA THR A 15 -2.039 2.014 21.123 1.00 0.00 H new ATOM 0 HB THR A 15 -2.404 0.845 23.903 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.645 1.484 23.553 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.165 3.113 24.490 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.485 3.112 23.903 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.800 3.660 22.836 1.00 0.00 H new ATOM 229 N PRO A 16 0.340 2.435 21.813 1.00 0.00 N ATOM 230 CA PRO A 16 1.774 2.636 22.062 1.00 0.00 C ATOM 231 C PRO A 16 2.131 2.597 23.545 1.00 0.00 C ATOM 232 O PRO A 16 1.475 3.237 24.370 1.00 0.00 O ATOM 233 CB PRO A 16 2.050 4.030 21.492 1.00 0.00 C ATOM 234 CG PRO A 16 0.966 4.264 20.500 1.00 0.00 C ATOM 235 CD PRO A 16 -0.239 3.539 21.024 1.00 0.00 C ATOM 0 HA PRO A 16 2.369 1.844 21.607 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.037 4.787 22.277 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.032 4.076 21.021 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.763 5.329 20.389 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.250 3.889 19.517 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.862 4.188 21.639 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.867 3.167 20.215 1.00 0.00 H new ATOM 243 N SER A 17 3.165 1.830 23.874 1.00 0.00 N ATOM 244 CA SER A 17 3.661 1.742 25.242 1.00 0.00 C ATOM 245 C SER A 17 4.153 3.104 25.724 1.00 0.00 C ATOM 246 O SER A 17 3.922 3.498 26.869 1.00 0.00 O ATOM 247 CB SER A 17 4.812 0.741 25.304 1.00 0.00 C ATOM 248 OG SER A 17 4.591 -0.337 24.412 1.00 0.00 O ATOM 0 H SER A 17 3.679 1.256 23.206 1.00 0.00 H new ATOM 0 HA SER A 17 2.846 1.413 25.887 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.748 1.240 25.053 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.916 0.362 26.321 1.00 0.00 H new ATOM 0 HG SER A 17 5.198 -1.074 24.633 1.00 0.00 H new ATOM 254 N ALA A 18 4.830 3.813 24.832 1.00 0.00 N ATOM 255 CA ALA A 18 5.397 5.115 25.136 1.00 0.00 C ATOM 256 C ALA A 18 5.538 5.920 23.854 1.00 0.00 C ATOM 257 O ALA A 18 5.176 5.438 22.778 1.00 0.00 O ATOM 258 CB ALA A 18 6.746 4.962 25.827 1.00 0.00 C ATOM 0 H ALA A 18 5.001 3.500 23.876 1.00 0.00 H new ATOM 0 HA ALA A 18 4.730 5.645 25.816 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.156 5.948 26.047 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.618 4.406 26.756 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.431 4.422 25.173 1.00 0.00 H new ATOM 264 N LEU A 19 6.062 7.132 23.965 1.00 0.00 N ATOM 265 CA LEU A 19 6.240 7.993 22.803 1.00 0.00 C ATOM 266 C LEU A 19 7.474 7.558 22.026 1.00 0.00 C ATOM 267 O LEU A 19 7.437 7.399 20.808 1.00 0.00 O ATOM 268 CB LEU A 19 6.380 9.468 23.215 1.00 0.00 C ATOM 269 CG LEU A 19 5.137 10.122 23.837 1.00 0.00 C ATOM 270 CD1 LEU A 19 4.894 9.616 25.252 1.00 0.00 C ATOM 271 CD2 LEU A 19 5.284 11.635 23.834 1.00 0.00 C ATOM 0 H LEU A 19 6.371 7.542 24.846 1.00 0.00 H new ATOM 0 HA LEU A 19 5.355 7.900 22.173 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.201 9.548 23.927 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.665 10.044 22.334 1.00 0.00 H new ATOM 0 HG LEU A 19 4.273 9.847 23.232 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.007 10.098 25.664 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.744 8.537 25.232 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.757 9.850 25.875 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.397 12.088 24.277 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.163 11.916 24.414 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.397 11.988 22.809 1.00 0.00 H new ATOM 283 N GLY A 20 8.564 7.362 22.749 1.00 0.00 N ATOM 284 CA GLY A 20 9.796 6.923 22.134 1.00 0.00 C ATOM 285 C GLY A 20 10.157 5.514 22.548 1.00 0.00 C ATOM 286 O GLY A 20 9.323 4.787 23.092 1.00 0.00 O ATOM 0 H GLY A 20 8.617 7.500 23.758 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.698 6.970 21.049 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.603 7.602 22.411 1.00 0.00 H new ATOM 290 N CYS A 21 11.397 5.120 22.301 1.00 0.00 N ATOM 291 CA CYS A 21 11.854 3.800 22.693 1.00 0.00 C ATOM 292 C CYS A 21 12.176 3.790 24.184 1.00 0.00 C ATOM 293 O CYS A 21 13.202 4.318 24.611 1.00 0.00 O ATOM 294 CB CYS A 21 13.080 3.384 21.875 1.00 0.00 C ATOM 295 SG CYS A 21 13.606 1.672 22.142 1.00 0.00 S ATOM 0 H CYS A 21 12.100 5.693 21.834 1.00 0.00 H new ATOM 0 HA CYS A 21 11.060 3.080 22.496 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.861 3.524 20.816 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.908 4.049 22.119 1.00 0.00 H new ATOM 0 HG CYS A 21 14.539 1.367 21.290 1.00 0.00 H new ATOM 301 N GLU A 22 11.279 3.195 24.961 1.00 0.00 N ATOM 302 CA GLU A 22 11.391 3.155 26.418 1.00 0.00 C ATOM 303 C GLU A 22 12.779 2.678 26.863 1.00 0.00 C ATOM 304 O GLU A 22 13.376 3.256 27.772 1.00 0.00 O ATOM 305 CB GLU A 22 10.278 2.251 26.970 1.00 0.00 C ATOM 306 CG GLU A 22 10.147 2.238 28.486 1.00 0.00 C ATOM 307 CD GLU A 22 11.075 1.244 29.150 1.00 0.00 C ATOM 308 OE1 GLU A 22 11.000 0.039 28.815 1.00 0.00 O ATOM 309 OE2 GLU A 22 11.881 1.657 30.006 1.00 0.00 O ATOM 0 H GLU A 22 10.450 2.724 24.599 1.00 0.00 H new ATOM 0 HA GLU A 22 11.271 4.161 26.819 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.327 2.569 26.542 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.456 1.232 26.628 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.356 3.236 28.872 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.117 2.001 28.754 1.00 0.00 H new ATOM 316 N GLU A 23 13.289 1.643 26.199 1.00 0.00 N ATOM 317 CA GLU A 23 14.607 1.090 26.510 1.00 0.00 C ATOM 318 C GLU A 23 15.696 2.168 26.508 1.00 0.00 C ATOM 319 O GLU A 23 16.373 2.373 27.511 1.00 0.00 O ATOM 320 CB GLU A 23 14.968 -0.013 25.510 1.00 0.00 C ATOM 321 CG GLU A 23 16.324 -0.649 25.773 1.00 0.00 C ATOM 322 CD GLU A 23 16.665 -1.738 24.778 1.00 0.00 C ATOM 323 OE1 GLU A 23 17.143 -1.410 23.670 1.00 0.00 O ATOM 324 OE2 GLU A 23 16.468 -2.927 25.101 1.00 0.00 O ATOM 0 H GLU A 23 12.806 1.167 25.437 1.00 0.00 H new ATOM 0 HA GLU A 23 14.554 0.671 27.515 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.200 -0.786 25.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.960 0.404 24.503 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.094 0.122 25.739 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.335 -1.067 26.780 1.00 0.00 H new ATOM 331 N CYS A 24 15.852 2.872 25.393 1.00 0.00 N ATOM 332 CA CYS A 24 16.937 3.838 25.260 1.00 0.00 C ATOM 333 C CYS A 24 16.700 5.059 26.148 1.00 0.00 C ATOM 334 O CYS A 24 17.649 5.708 26.590 1.00 0.00 O ATOM 335 CB CYS A 24 17.126 4.251 23.797 1.00 0.00 C ATOM 336 SG CYS A 24 15.690 5.032 23.037 1.00 0.00 S ATOM 0 H CYS A 24 15.248 2.794 24.575 1.00 0.00 H new ATOM 0 HA CYS A 24 17.856 3.357 25.595 1.00 0.00 H new ATOM 0 HB2 CYS A 24 17.970 4.938 23.735 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.390 3.367 23.216 1.00 0.00 H new ATOM 0 HG CYS A 24 14.631 4.777 23.746 1.00 0.00 H new ATOM 342 N LEU A 25 15.431 5.360 26.406 1.00 0.00 N ATOM 343 CA LEU A 25 15.053 6.493 27.249 1.00 0.00 C ATOM 344 C LEU A 25 15.626 6.383 28.661 1.00 0.00 C ATOM 345 O LEU A 25 15.883 7.399 29.305 1.00 0.00 O ATOM 346 CB LEU A 25 13.528 6.612 27.324 1.00 0.00 C ATOM 347 CG LEU A 25 12.864 7.227 26.092 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.352 7.088 26.175 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.252 8.691 25.968 1.00 0.00 C ATOM 0 H LEU A 25 14.640 4.831 26.040 1.00 0.00 H new ATOM 0 HA LEU A 25 15.474 7.387 26.788 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.109 5.619 27.486 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.268 7.213 28.196 1.00 0.00 H new ATOM 0 HG LEU A 25 13.210 6.693 25.207 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.897 7.531 25.289 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.086 6.032 26.230 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.988 7.600 27.065 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.774 9.121 25.088 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.926 9.230 26.857 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.334 8.773 25.870 1.00 0.00 H new ATOM 361 N LYS A 26 15.849 5.157 29.134 1.00 0.00 N ATOM 362 CA LYS A 26 16.304 4.950 30.509 1.00 0.00 C ATOM 363 C LYS A 26 17.738 5.449 30.697 1.00 0.00 C ATOM 364 O LYS A 26 18.152 5.776 31.808 1.00 0.00 O ATOM 365 CB LYS A 26 16.208 3.469 30.900 1.00 0.00 C ATOM 366 CG LYS A 26 17.305 2.599 30.309 1.00 0.00 C ATOM 367 CD LYS A 26 17.109 1.130 30.647 1.00 0.00 C ATOM 368 CE LYS A 26 17.075 0.894 32.148 1.00 0.00 C ATOM 369 NZ LYS A 26 16.953 -0.550 32.475 1.00 0.00 N ATOM 0 H LYS A 26 15.724 4.301 28.593 1.00 0.00 H new ATOM 0 HA LYS A 26 15.649 5.527 31.162 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.241 3.388 31.987 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.240 3.082 30.581 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.323 2.723 29.226 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.273 2.931 30.684 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.179 0.776 30.203 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.916 0.545 30.206 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.983 1.294 32.600 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.236 1.438 32.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.933 -0.672 33.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.074 -0.926 32.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.766 -1.065 32.082 1.00 0.00 H new ATOM 383 N ILE A 27 18.493 5.511 29.608 1.00 0.00 N ATOM 384 CA ILE A 27 19.880 5.958 29.666 1.00 0.00 C ATOM 385 C ILE A 27 20.093 7.207 28.820 1.00 0.00 C ATOM 386 O ILE A 27 21.209 7.714 28.712 1.00 0.00 O ATOM 387 CB ILE A 27 20.853 4.858 29.195 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.422 4.314 27.829 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.935 3.743 30.225 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.344 3.248 27.278 1.00 0.00 C ATOM 0 H ILE A 27 18.169 5.258 28.674 1.00 0.00 H new ATOM 0 HA ILE A 27 20.089 6.190 30.710 1.00 0.00 H new ATOM 0 HB ILE A 27 21.847 5.293 29.089 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.416 3.903 27.913 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.371 5.140 27.119 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.626 2.976 29.876 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.291 4.148 31.172 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.947 3.305 30.366 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.974 2.912 26.309 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.347 3.659 27.161 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.377 2.404 27.967 1.00 0.00 H new ATOM 402 N GLY A 28 19.014 7.704 28.227 1.00 0.00 N ATOM 403 CA GLY A 28 19.105 8.874 27.375 1.00 0.00 C ATOM 404 C GLY A 28 19.863 8.595 26.092 1.00 0.00 C ATOM 405 O GLY A 28 20.750 9.357 25.705 1.00 0.00 O ATOM 0 H GLY A 28 18.075 7.316 28.322 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.101 9.223 27.133 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.600 9.679 27.919 1.00 0.00 H new ATOM 409 N SER A 29 19.525 7.492 25.443 1.00 0.00 N ATOM 410 CA SER A 29 20.148 7.119 24.182 1.00 0.00 C ATOM 411 C SER A 29 19.280 7.594 23.017 1.00 0.00 C ATOM 412 O SER A 29 18.095 7.261 22.942 1.00 0.00 O ATOM 413 CB SER A 29 20.351 5.599 24.128 1.00 0.00 C ATOM 414 OG SER A 29 20.921 5.182 22.896 1.00 0.00 O ATOM 0 H SER A 29 18.817 6.835 25.771 1.00 0.00 H new ATOM 0 HA SER A 29 21.124 7.598 24.104 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.997 5.290 24.950 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.393 5.100 24.271 1.00 0.00 H new ATOM 0 HG SER A 29 21.016 4.207 22.893 1.00 0.00 H new ATOM 420 N PRO A 30 19.857 8.396 22.108 1.00 0.00 N ATOM 421 CA PRO A 30 19.131 8.960 20.969 1.00 0.00 C ATOM 422 C PRO A 30 18.746 7.899 19.944 1.00 0.00 C ATOM 423 O PRO A 30 19.582 7.102 19.509 1.00 0.00 O ATOM 424 CB PRO A 30 20.121 9.959 20.349 1.00 0.00 C ATOM 425 CG PRO A 30 21.226 10.101 21.341 1.00 0.00 C ATOM 426 CD PRO A 30 21.263 8.817 22.114 1.00 0.00 C ATOM 0 HA PRO A 30 18.192 9.416 21.284 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.497 9.595 19.393 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.641 10.919 20.158 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.177 10.281 20.841 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.048 10.949 22.003 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.909 8.078 21.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.637 8.965 23.127 1.00 0.00 H new ATOM 434 N TRP A 31 17.478 7.892 19.564 1.00 0.00 N ATOM 435 CA TRP A 31 16.993 6.967 18.557 1.00 0.00 C ATOM 436 C TRP A 31 17.007 7.626 17.185 1.00 0.00 C ATOM 437 O TRP A 31 17.066 8.852 17.073 1.00 0.00 O ATOM 438 CB TRP A 31 15.577 6.485 18.897 1.00 0.00 C ATOM 439 CG TRP A 31 14.575 7.591 19.067 1.00 0.00 C ATOM 440 CD1 TRP A 31 13.967 8.313 18.080 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.051 8.086 20.303 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.109 9.234 18.629 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.139 9.112 19.991 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.265 7.762 21.644 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.446 9.815 20.972 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.577 8.460 22.615 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.675 9.475 22.276 1.00 0.00 C ATOM 0 H TRP A 31 16.766 8.519 19.940 1.00 0.00 H new ATOM 0 HA TRP A 31 17.656 6.102 18.541 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.233 5.817 18.108 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.615 5.900 19.816 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.136 8.179 17.022 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.541 9.901 18.106 1.00 0.00 H new ATOM 0 HE3 TRP A 31 14.957 6.979 21.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.752 10.601 20.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.737 8.219 23.655 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.150 10.000 23.060 1.00 0.00 H new ATOM 458 N VAL A 32 16.962 6.811 16.147 1.00 0.00 N ATOM 459 CA VAL A 32 16.892 7.323 14.791 1.00 0.00 C ATOM 460 C VAL A 32 15.481 7.154 14.248 1.00 0.00 C ATOM 461 O VAL A 32 14.870 8.100 13.765 1.00 0.00 O ATOM 462 CB VAL A 32 17.885 6.608 13.856 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.890 7.262 12.483 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.284 6.606 14.455 1.00 0.00 C ATOM 0 H VAL A 32 16.973 5.793 16.217 1.00 0.00 H new ATOM 0 HA VAL A 32 17.159 8.379 14.825 1.00 0.00 H new ATOM 0 HB VAL A 32 17.563 5.573 13.742 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.597 6.744 11.836 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.892 7.205 12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.184 8.307 12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.969 6.096 13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.618 7.633 14.603 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.269 6.088 15.414 1.00 0.00 H new ATOM 474 N HIS A 33 14.964 5.938 14.343 1.00 0.00 N ATOM 475 CA HIS A 33 13.618 5.645 13.877 1.00 0.00 C ATOM 476 C HIS A 33 12.903 4.735 14.864 1.00 0.00 C ATOM 477 O HIS A 33 13.537 3.923 15.542 1.00 0.00 O ATOM 478 CB HIS A 33 13.639 5.003 12.487 1.00 0.00 C ATOM 479 CG HIS A 33 14.025 5.948 11.386 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.271 7.049 11.033 1.00 0.00 N ATOM 481 CD2 HIS A 33 15.098 5.952 10.563 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.865 7.684 10.041 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.975 7.041 9.738 1.00 0.00 N ATOM 0 H HIS A 33 15.457 5.138 14.739 1.00 0.00 H new ATOM 0 HA HIS A 33 13.076 6.588 13.806 1.00 0.00 H new ATOM 0 HB2 HIS A 33 14.337 4.166 12.495 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.652 4.594 12.272 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.393 7.328 11.470 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.903 5.231 10.556 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.503 8.580 9.558 1.00 0.00 H new ATOM 492 N LEU A 34 11.587 4.865 14.924 1.00 0.00 N ATOM 493 CA LEU A 34 10.774 4.138 15.888 1.00 0.00 C ATOM 494 C LEU A 34 9.673 3.368 15.181 1.00 0.00 C ATOM 495 O LEU A 34 9.018 3.889 14.276 1.00 0.00 O ATOM 496 CB LEU A 34 10.137 5.101 16.894 1.00 0.00 C ATOM 497 CG LEU A 34 11.113 5.949 17.704 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.356 6.901 18.614 1.00 0.00 C ATOM 499 CD2 LEU A 34 12.040 5.062 18.515 1.00 0.00 C ATOM 0 H LEU A 34 11.052 5.476 14.307 1.00 0.00 H new ATOM 0 HA LEU A 34 11.427 3.442 16.416 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.464 5.768 16.355 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.525 4.523 17.586 1.00 0.00 H new ATOM 0 HG LEU A 34 11.717 6.537 17.014 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.065 7.499 19.186 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.729 7.559 18.012 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.730 6.329 19.298 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.730 5.683 19.087 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.452 4.449 19.198 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.605 4.416 17.843 1.00 0.00 H new ATOM 511 N ARG A 35 9.478 2.126 15.581 1.00 0.00 N ATOM 512 CA ARG A 35 8.398 1.320 15.043 1.00 0.00 C ATOM 513 C ARG A 35 7.557 0.742 16.171 1.00 0.00 C ATOM 514 O ARG A 35 8.082 0.331 17.209 1.00 0.00 O ATOM 515 CB ARG A 35 8.925 0.190 14.149 1.00 0.00 C ATOM 516 CG ARG A 35 9.297 0.627 12.735 1.00 0.00 C ATOM 517 CD ARG A 35 10.670 1.276 12.672 1.00 0.00 C ATOM 518 NE ARG A 35 10.608 2.653 12.179 1.00 0.00 N ATOM 519 CZ ARG A 35 11.082 3.048 10.997 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.598 2.167 10.148 1.00 0.00 N ATOM 521 NH2 ARG A 35 11.029 4.329 10.663 1.00 0.00 N ATOM 0 H ARG A 35 10.054 1.653 16.277 1.00 0.00 H new ATOM 0 HA ARG A 35 7.777 1.971 14.428 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.802 -0.252 14.622 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.168 -0.591 14.087 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.276 -0.239 12.073 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.549 1.329 12.366 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.120 1.267 13.665 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.319 0.688 12.023 1.00 0.00 H new ATOM 0 HE ARG A 35 10.174 3.355 12.778 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.634 1.179 10.398 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.958 2.479 9.246 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.627 5.008 11.309 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.390 4.636 9.760 1.00 0.00 H new ATOM 535 N ILE A 36 6.252 0.727 15.966 1.00 0.00 N ATOM 536 CA ILE A 36 5.329 0.170 16.938 1.00 0.00 C ATOM 537 C ILE A 36 4.870 -1.205 16.483 1.00 0.00 C ATOM 538 O ILE A 36 4.388 -1.391 15.368 1.00 0.00 O ATOM 539 CB ILE A 36 4.111 1.093 17.189 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.144 0.435 18.179 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.404 1.438 15.883 1.00 0.00 C ATOM 542 CD1 ILE A 36 1.955 1.298 18.535 1.00 0.00 C ATOM 0 H ILE A 36 5.805 1.098 15.127 1.00 0.00 H new ATOM 0 HA ILE A 36 5.861 0.082 17.886 1.00 0.00 H new ATOM 0 HB ILE A 36 4.471 2.026 17.624 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.786 -0.503 17.754 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.686 0.186 19.091 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.553 2.087 16.090 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.098 1.951 15.218 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.054 0.523 15.406 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.316 0.765 19.239 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.302 2.226 18.990 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.388 1.526 17.633 1.00 0.00 H new ATOM 554 N CYS A 37 5.065 -2.170 17.348 1.00 0.00 N ATOM 555 CA CYS A 37 4.723 -3.545 17.058 1.00 0.00 C ATOM 556 C CYS A 37 3.210 -3.736 17.101 1.00 0.00 C ATOM 557 O CYS A 37 2.611 -3.711 18.176 1.00 0.00 O ATOM 558 CB CYS A 37 5.411 -4.424 18.087 1.00 0.00 C ATOM 559 SG CYS A 37 5.214 -6.202 17.846 1.00 0.00 S ATOM 0 H CYS A 37 5.466 -2.026 18.275 1.00 0.00 H new ATOM 0 HA CYS A 37 5.057 -3.817 16.057 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.476 -4.190 18.085 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.029 -4.164 19.074 1.00 0.00 H new ATOM 564 N ARG A 38 2.605 -3.951 15.932 1.00 0.00 N ATOM 565 CA ARG A 38 1.144 -3.985 15.791 1.00 0.00 C ATOM 566 C ARG A 38 0.506 -5.203 16.457 1.00 0.00 C ATOM 567 O ARG A 38 -0.708 -5.384 16.386 1.00 0.00 O ATOM 568 CB ARG A 38 0.750 -3.965 14.311 1.00 0.00 C ATOM 569 CG ARG A 38 0.951 -2.622 13.627 1.00 0.00 C ATOM 570 CD ARG A 38 0.082 -1.538 14.249 1.00 0.00 C ATOM 571 NE ARG A 38 -1.335 -1.914 14.291 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.319 -1.162 13.797 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.045 -0.059 13.117 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.582 -1.537 13.958 1.00 0.00 N ATOM 0 H ARG A 38 3.109 -4.106 15.059 1.00 0.00 H new ATOM 0 HA ARG A 38 0.770 -3.096 16.298 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.332 -4.719 13.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.298 -4.251 14.222 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.999 -2.332 13.696 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.715 -2.714 12.567 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.431 -1.332 15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.194 -0.615 13.680 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.582 -2.804 14.724 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.075 0.221 12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.804 0.511 12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.798 -2.399 14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.336 -0.963 13.581 1.00 0.00 H new ATOM 588 N THR A 39 1.309 -6.037 17.095 1.00 0.00 N ATOM 589 CA THR A 39 0.780 -7.223 17.746 1.00 0.00 C ATOM 590 C THR A 39 0.530 -6.972 19.230 1.00 0.00 C ATOM 591 O THR A 39 -0.575 -7.167 19.728 1.00 0.00 O ATOM 592 CB THR A 39 1.741 -8.416 17.591 1.00 0.00 C ATOM 593 OG1 THR A 39 2.251 -8.458 16.253 1.00 0.00 O ATOM 594 CG2 THR A 39 1.037 -9.726 17.914 1.00 0.00 C ATOM 0 H THR A 39 2.319 -5.917 17.176 1.00 0.00 H new ATOM 0 HA THR A 39 -0.166 -7.460 17.259 1.00 0.00 H new ATOM 0 HB THR A 39 2.566 -8.286 18.292 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.863 -9.218 16.160 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.737 -10.554 17.797 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.674 -9.700 18.941 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.195 -9.864 17.235 1.00 0.00 H new ATOM 602 N CYS A 40 1.559 -6.522 19.930 1.00 0.00 N ATOM 603 CA CYS A 40 1.469 -6.344 21.373 1.00 0.00 C ATOM 604 C CYS A 40 1.383 -4.861 21.741 1.00 0.00 C ATOM 605 O CYS A 40 0.978 -4.509 22.845 1.00 0.00 O ATOM 606 CB CYS A 40 2.668 -7.012 22.051 1.00 0.00 C ATOM 607 SG CYS A 40 4.271 -6.325 21.552 1.00 0.00 S ATOM 0 H CYS A 40 2.462 -6.274 19.526 1.00 0.00 H new ATOM 0 HA CYS A 40 0.555 -6.820 21.729 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.563 -6.915 23.132 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.654 -8.078 21.824 1.00 0.00 H new ATOM 612 N GLY A 41 1.745 -3.993 20.798 1.00 0.00 N ATOM 613 CA GLY A 41 1.645 -2.562 21.027 1.00 0.00 C ATOM 614 C GLY A 41 2.913 -1.946 21.583 1.00 0.00 C ATOM 615 O GLY A 41 2.900 -0.804 22.038 1.00 0.00 O ATOM 0 H GLY A 41 2.105 -4.256 19.881 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.393 -2.069 20.088 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.824 -2.370 21.718 1.00 0.00 H new ATOM 619 N HIS A 42 4.019 -2.677 21.532 1.00 0.00 N ATOM 620 CA HIS A 42 5.254 -2.182 22.121 1.00 0.00 C ATOM 621 C HIS A 42 6.065 -1.413 21.089 1.00 0.00 C ATOM 622 O HIS A 42 6.242 -1.871 19.957 1.00 0.00 O ATOM 623 CB HIS A 42 6.086 -3.323 22.709 1.00 0.00 C ATOM 624 CG HIS A 42 7.000 -2.874 23.809 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.724 -2.456 25.067 1.00 0.00 N flip ATOM 626 CD2 HIS A 42 8.370 -2.805 23.678 1.00 0.00 C flip ATOM 627 CE1 HIS A 42 7.918 -2.140 25.661 1.00 0.00 C flip ATOM 628 NE2 HIS A 42 8.894 -2.359 24.806 1.00 0.00 N flip ATOM 0 H HIS A 42 4.086 -3.597 21.097 1.00 0.00 H new ATOM 0 HA HIS A 42 4.988 -1.506 22.934 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.417 -4.094 23.092 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.678 -3.780 21.916 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.928 -3.073 22.793 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.038 -1.771 26.669 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.887 -2.210 24.984 1.00 0.00 H new ATOM 637 N VAL A 43 6.537 -0.241 21.485 1.00 0.00 N ATOM 638 CA VAL A 43 7.323 0.613 20.605 1.00 0.00 C ATOM 639 C VAL A 43 8.813 0.324 20.769 1.00 0.00 C ATOM 640 O VAL A 43 9.292 0.091 21.882 1.00 0.00 O ATOM 641 CB VAL A 43 7.056 2.108 20.895 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.798 2.999 19.910 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.564 2.404 20.862 1.00 0.00 C ATOM 0 H VAL A 43 6.388 0.144 22.418 1.00 0.00 H new ATOM 0 HA VAL A 43 7.022 0.395 19.580 1.00 0.00 H new ATOM 0 HB VAL A 43 7.430 2.326 21.895 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.591 4.045 20.138 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.869 2.815 19.989 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.465 2.776 18.896 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.398 3.461 21.069 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.166 2.160 19.877 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.057 1.803 21.617 1.00 0.00 H new ATOM 653 N GLY A 44 9.536 0.317 19.660 1.00 0.00 N ATOM 654 CA GLY A 44 10.963 0.092 19.709 1.00 0.00 C ATOM 655 C GLY A 44 11.688 0.783 18.575 1.00 0.00 C ATOM 656 O GLY A 44 11.121 0.988 17.502 1.00 0.00 O ATOM 0 H GLY A 44 9.157 0.464 18.724 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.354 0.452 20.661 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.162 -0.979 19.667 1.00 0.00 H new ATOM 660 N CYS A 45 12.936 1.159 18.813 1.00 0.00 N ATOM 661 CA CYS A 45 13.750 1.778 17.780 1.00 0.00 C ATOM 662 C CYS A 45 14.185 0.738 16.756 1.00 0.00 C ATOM 663 O CYS A 45 14.372 -0.434 17.092 1.00 0.00 O ATOM 664 CB CYS A 45 14.966 2.463 18.402 1.00 0.00 C ATOM 665 SG CYS A 45 15.911 1.409 19.527 1.00 0.00 S ATOM 0 H CYS A 45 13.406 1.046 19.711 1.00 0.00 H new ATOM 0 HA CYS A 45 13.153 2.534 17.270 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.624 2.806 17.604 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.633 3.348 18.944 1.00 0.00 H new ATOM 0 HG CYS A 45 16.572 2.151 20.365 1.00 0.00 H new ATOM 671 N CYS A 46 14.343 1.168 15.512 1.00 0.00 N ATOM 672 CA CYS A 46 14.660 0.257 14.422 1.00 0.00 C ATOM 673 C CYS A 46 16.110 -0.221 14.518 1.00 0.00 C ATOM 674 O CYS A 46 16.869 0.236 15.377 1.00 0.00 O ATOM 675 CB CYS A 46 14.406 0.945 13.078 1.00 0.00 C ATOM 676 SG CYS A 46 14.236 -0.193 11.685 1.00 0.00 S ATOM 0 H CYS A 46 14.256 2.145 15.232 1.00 0.00 H new ATOM 0 HA CYS A 46 14.013 -0.617 14.498 1.00 0.00 H new ATOM 0 HB2 CYS A 46 13.499 1.545 13.155 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.227 1.632 12.873 1.00 0.00 H new ATOM 0 HG CYS A 46 14.022 0.483 10.596 1.00 0.00 H new ATOM 682 N ASP A 47 16.492 -1.130 13.626 1.00 0.00 N ATOM 683 CA ASP A 47 17.830 -1.719 13.640 1.00 0.00 C ATOM 684 C ASP A 47 18.880 -0.694 13.228 1.00 0.00 C ATOM 685 O ASP A 47 20.068 -0.856 13.513 1.00 0.00 O ATOM 686 CB ASP A 47 17.894 -2.930 12.706 1.00 0.00 C ATOM 687 CG ASP A 47 17.813 -2.541 11.245 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.770 -2.006 10.826 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.800 -2.759 10.513 1.00 0.00 O ATOM 0 H ASP A 47 15.890 -1.478 12.879 1.00 0.00 H new ATOM 0 HA ASP A 47 18.041 -2.044 14.659 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.823 -3.473 12.883 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.077 -3.611 12.943 1.00 0.00 H new ATOM 694 N ASP A 48 18.433 0.356 12.546 1.00 0.00 N ATOM 695 CA ASP A 48 19.309 1.463 12.170 1.00 0.00 C ATOM 696 C ASP A 48 19.771 2.215 13.416 1.00 0.00 C ATOM 697 O ASP A 48 20.821 2.857 13.424 1.00 0.00 O ATOM 698 CB ASP A 48 18.580 2.410 11.211 1.00 0.00 C ATOM 699 CG ASP A 48 19.448 3.561 10.741 1.00 0.00 C ATOM 700 OD1 ASP A 48 20.472 3.310 10.070 1.00 0.00 O ATOM 701 OD2 ASP A 48 19.101 4.723 11.020 1.00 0.00 O ATOM 0 H ASP A 48 17.466 0.465 12.241 1.00 0.00 H new ATOM 0 HA ASP A 48 20.186 1.063 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.234 1.846 10.345 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.694 2.809 11.706 1.00 0.00 H new ATOM 706 N SER A 49 18.983 2.114 14.477 1.00 0.00 N ATOM 707 CA SER A 49 19.342 2.701 15.754 1.00 0.00 C ATOM 708 C SER A 49 20.200 1.714 16.546 1.00 0.00 C ATOM 709 O SER A 49 20.021 0.502 16.424 1.00 0.00 O ATOM 710 CB SER A 49 18.076 3.073 16.527 1.00 0.00 C ATOM 711 OG SER A 49 17.246 3.917 15.744 1.00 0.00 O ATOM 0 H SER A 49 18.086 1.628 14.475 1.00 0.00 H new ATOM 0 HA SER A 49 19.921 3.610 15.593 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.531 2.169 16.801 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.344 3.577 17.456 1.00 0.00 H new ATOM 0 HG SER A 49 16.377 3.486 15.608 1.00 0.00 H new ATOM 717 N PRO A 50 21.125 2.217 17.385 1.00 0.00 N ATOM 718 CA PRO A 50 22.144 1.386 18.060 1.00 0.00 C ATOM 719 C PRO A 50 21.577 0.384 19.069 1.00 0.00 C ATOM 720 O PRO A 50 22.328 -0.301 19.758 1.00 0.00 O ATOM 721 CB PRO A 50 23.016 2.416 18.784 1.00 0.00 C ATOM 722 CG PRO A 50 22.134 3.601 18.963 1.00 0.00 C ATOM 723 CD PRO A 50 21.263 3.642 17.743 1.00 0.00 C ATOM 0 HA PRO A 50 22.670 0.764 17.336 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.365 2.034 19.743 1.00 0.00 H new ATOM 0 HB3 PRO A 50 23.901 2.666 18.199 1.00 0.00 H new ATOM 0 HG2 PRO A 50 21.535 3.511 19.869 1.00 0.00 H new ATOM 0 HG3 PRO A 50 22.720 4.515 19.057 1.00 0.00 H new ATOM 0 HD2 PRO A 50 20.297 4.101 17.952 1.00 0.00 H new ATOM 0 HD3 PRO A 50 21.722 4.217 16.939 1.00 0.00 H new ATOM 731 N HIS A 51 20.260 0.303 19.169 1.00 0.00 N ATOM 732 CA HIS A 51 19.633 -0.637 20.086 1.00 0.00 C ATOM 733 C HIS A 51 18.940 -1.773 19.342 1.00 0.00 C ATOM 734 O HIS A 51 18.812 -2.871 19.879 1.00 0.00 O ATOM 735 CB HIS A 51 18.646 0.078 21.009 1.00 0.00 C ATOM 736 CG HIS A 51 19.306 0.783 22.154 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.094 0.434 23.466 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.176 1.819 22.178 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.804 1.223 24.250 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.472 2.073 23.494 1.00 0.00 N ATOM 0 H HIS A 51 19.607 0.873 18.631 1.00 0.00 H new ATOM 0 HA HIS A 51 20.425 -1.073 20.695 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.075 0.801 20.427 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.935 -0.649 21.401 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.483 -0.318 23.784 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.565 2.348 21.321 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.833 1.180 25.329 1.00 0.00 H new ATOM 749 N LYS A 52 18.499 -1.503 18.108 1.00 0.00 N ATOM 750 CA LYS A 52 17.786 -2.497 17.293 1.00 0.00 C ATOM 751 C LYS A 52 16.652 -3.140 18.092 1.00 0.00 C ATOM 752 O LYS A 52 16.419 -4.347 18.006 1.00 0.00 O ATOM 753 CB LYS A 52 18.751 -3.584 16.808 1.00 0.00 C ATOM 754 CG LYS A 52 19.987 -3.047 16.103 1.00 0.00 C ATOM 755 CD LYS A 52 20.911 -4.175 15.673 1.00 0.00 C ATOM 756 CE LYS A 52 21.396 -4.982 16.868 1.00 0.00 C ATOM 757 NZ LYS A 52 22.241 -6.132 16.459 1.00 0.00 N ATOM 0 H LYS A 52 18.624 -0.601 17.649 1.00 0.00 H new ATOM 0 HA LYS A 52 17.363 -1.982 16.430 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.065 -4.184 17.662 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.219 -4.250 16.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.687 -2.467 15.230 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.522 -2.369 16.768 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.387 -4.831 14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.767 -3.762 15.139 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.964 -4.334 17.536 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.537 -5.346 17.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.549 -6.654 17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.692 -6.764 15.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.075 -5.784 15.943 1.00 0.00 H new ATOM 771 N HIS A 53 15.933 -2.324 18.850 1.00 0.00 N ATOM 772 CA HIS A 53 14.948 -2.833 19.798 1.00 0.00 C ATOM 773 C HIS A 53 13.748 -3.445 19.077 1.00 0.00 C ATOM 774 O HIS A 53 13.022 -4.257 19.648 1.00 0.00 O ATOM 775 CB HIS A 53 14.495 -1.714 20.742 1.00 0.00 C ATOM 776 CG HIS A 53 13.787 -2.207 21.968 1.00 0.00 C ATOM 777 ND1 HIS A 53 14.060 -3.249 22.788 1.00 0.00 N flip ATOM 778 CD2 HIS A 53 12.671 -1.592 22.495 1.00 0.00 C flip ATOM 779 CE1 HIS A 53 13.117 -3.243 23.782 1.00 0.00 C flip ATOM 780 NE2 HIS A 53 12.293 -2.235 23.584 1.00 0.00 N flip ATOM 0 H HIS A 53 16.012 -1.307 18.828 1.00 0.00 H new ATOM 0 HA HIS A 53 15.419 -3.621 20.385 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.366 -1.133 21.046 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.834 -1.038 20.199 1.00 0.00 H new ATOM 0 HD1 HIS A 53 14.826 -3.915 22.685 1.00 0.00 H new ATOM 0 HD2 HIS A 53 12.183 -0.722 22.082 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.059 -3.950 24.596 1.00 0.00 H new ATOM 789 N ALA A 54 13.542 -3.048 17.829 1.00 0.00 N ATOM 790 CA ALA A 54 12.452 -3.584 17.026 1.00 0.00 C ATOM 791 C ALA A 54 12.768 -4.995 16.531 1.00 0.00 C ATOM 792 O ALA A 54 11.936 -5.901 16.634 1.00 0.00 O ATOM 793 CB ALA A 54 12.158 -2.661 15.852 1.00 0.00 C ATOM 0 H ALA A 54 14.117 -2.355 17.350 1.00 0.00 H new ATOM 0 HA ALA A 54 11.566 -3.644 17.658 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.341 -3.074 15.260 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.874 -1.677 16.225 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.048 -2.570 15.229 1.00 0.00 H new ATOM 799 N THR A 55 13.976 -5.180 16.009 1.00 0.00 N ATOM 800 CA THR A 55 14.385 -6.460 15.446 1.00 0.00 C ATOM 801 C THR A 55 14.611 -7.496 16.543 1.00 0.00 C ATOM 802 O THR A 55 14.151 -8.637 16.441 1.00 0.00 O ATOM 803 CB THR A 55 15.665 -6.301 14.607 1.00 0.00 C ATOM 804 OG1 THR A 55 16.640 -5.554 15.344 1.00 0.00 O ATOM 805 CG2 THR A 55 15.371 -5.592 13.296 1.00 0.00 C ATOM 0 H THR A 55 14.692 -4.455 15.965 1.00 0.00 H new ATOM 0 HA THR A 55 13.579 -6.809 14.800 1.00 0.00 H new ATOM 0 HB THR A 55 16.052 -7.296 14.386 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.444 -6.100 15.469 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.292 -5.492 12.722 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.647 -6.172 12.723 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.962 -4.603 13.501 1.00 0.00 H new ATOM 813 N ARG A 56 15.308 -7.080 17.598 1.00 0.00 N ATOM 814 CA ARG A 56 15.534 -7.926 18.766 1.00 0.00 C ATOM 815 C ARG A 56 14.214 -8.445 19.322 1.00 0.00 C ATOM 816 O ARG A 56 14.103 -9.603 19.726 1.00 0.00 O ATOM 817 CB ARG A 56 16.262 -7.138 19.853 1.00 0.00 C ATOM 818 CG ARG A 56 17.749 -6.951 19.602 1.00 0.00 C ATOM 819 CD ARG A 56 18.338 -5.922 20.554 1.00 0.00 C ATOM 820 NE ARG A 56 17.807 -6.063 21.911 1.00 0.00 N ATOM 821 CZ ARG A 56 17.521 -5.032 22.708 1.00 0.00 C ATOM 822 NH1 ARG A 56 17.802 -3.791 22.326 1.00 0.00 N ATOM 823 NH2 ARG A 56 16.963 -5.240 23.893 1.00 0.00 N ATOM 0 H ARG A 56 15.729 -6.154 17.667 1.00 0.00 H new ATOM 0 HA ARG A 56 16.145 -8.773 18.456 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.796 -6.157 19.948 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.128 -7.649 20.807 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.265 -7.903 19.726 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.910 -6.633 18.572 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.423 -6.028 20.576 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.123 -4.920 20.183 1.00 0.00 H new ATOM 0 HE ARG A 56 17.646 -7.005 22.268 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.238 -3.623 21.420 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.581 -3.006 22.939 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.751 -6.190 24.197 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.746 -4.450 24.500 1.00 0.00 H new ATOM 837 N HIS A 57 13.212 -7.577 19.322 1.00 0.00 N ATOM 838 CA HIS A 57 11.901 -7.919 19.842 1.00 0.00 C ATOM 839 C HIS A 57 11.253 -9.033 19.022 1.00 0.00 C ATOM 840 O HIS A 57 10.651 -9.952 19.582 1.00 0.00 O ATOM 841 CB HIS A 57 11.002 -6.683 19.860 1.00 0.00 C ATOM 842 CG HIS A 57 9.600 -6.981 20.276 1.00 0.00 C ATOM 843 ND1 HIS A 57 9.209 -7.168 21.580 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.492 -7.156 19.519 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.903 -7.448 21.577 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.421 -7.453 20.347 1.00 0.00 N ATOM 0 H HIS A 57 13.286 -6.625 18.964 1.00 0.00 H new ATOM 0 HA HIS A 57 12.027 -8.283 20.862 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.426 -5.943 20.539 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.992 -6.235 18.866 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.809 -7.104 22.403 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.449 -7.077 18.443 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.318 -7.644 22.463 1.00 0.00 H new ATOM 854 N PHE A 58 11.368 -8.942 17.702 1.00 0.00 N ATOM 855 CA PHE A 58 10.806 -9.957 16.819 1.00 0.00 C ATOM 856 C PHE A 58 11.417 -11.319 17.116 1.00 0.00 C ATOM 857 O PHE A 58 10.712 -12.323 17.171 1.00 0.00 O ATOM 858 CB PHE A 58 11.029 -9.589 15.351 1.00 0.00 C ATOM 859 CG PHE A 58 10.721 -10.711 14.394 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.466 -11.295 14.357 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.694 -11.179 13.535 1.00 0.00 C ATOM 862 CE1 PHE A 58 9.191 -12.327 13.480 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.427 -12.209 12.653 1.00 0.00 C ATOM 864 CZ PHE A 58 10.173 -12.783 12.626 1.00 0.00 C ATOM 0 H PHE A 58 11.844 -8.179 17.221 1.00 0.00 H new ATOM 0 HA PHE A 58 9.733 -10.005 17.002 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.407 -8.729 15.102 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.066 -9.282 15.216 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.693 -10.940 15.022 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.678 -10.734 13.552 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.209 -12.776 13.463 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.199 -12.564 11.986 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.961 -13.588 11.938 1.00 0.00 H new ATOM 874 N HIS A 59 12.723 -11.339 17.335 1.00 0.00 N ATOM 875 CA HIS A 59 13.434 -12.580 17.607 1.00 0.00 C ATOM 876 C HIS A 59 12.973 -13.199 18.929 1.00 0.00 C ATOM 877 O HIS A 59 13.022 -14.417 19.105 1.00 0.00 O ATOM 878 CB HIS A 59 14.944 -12.321 17.639 1.00 0.00 C ATOM 879 CG HIS A 59 15.771 -13.567 17.725 1.00 0.00 C ATOM 880 ND1 HIS A 59 16.112 -14.319 16.622 1.00 0.00 N ATOM 881 CD2 HIS A 59 16.323 -14.195 18.790 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.835 -15.354 17.004 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.977 -15.301 18.313 1.00 0.00 N ATOM 0 H HIS A 59 13.314 -10.508 17.330 1.00 0.00 H new ATOM 0 HA HIS A 59 13.210 -13.287 16.808 1.00 0.00 H new ATOM 0 HB2 HIS A 59 15.227 -11.770 16.743 1.00 0.00 H new ATOM 0 HB3 HIS A 59 15.176 -11.683 18.492 1.00 0.00 H new ATOM 0 HD2 HIS A 59 16.260 -13.883 19.822 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.241 -16.115 16.355 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.491 -15.975 18.880 1.00 0.00 H new ATOM 892 N ALA A 60 12.514 -12.358 19.846 1.00 0.00 N ATOM 893 CA ALA A 60 12.104 -12.817 21.168 1.00 0.00 C ATOM 894 C ALA A 60 10.638 -13.256 21.198 1.00 0.00 C ATOM 895 O ALA A 60 10.307 -14.296 21.763 1.00 0.00 O ATOM 896 CB ALA A 60 12.348 -11.724 22.197 1.00 0.00 C ATOM 0 H ALA A 60 12.416 -11.353 19.699 1.00 0.00 H new ATOM 0 HA ALA A 60 12.708 -13.690 21.414 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.039 -12.075 23.181 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.409 -11.474 22.218 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.771 -10.838 21.931 1.00 0.00 H new ATOM 902 N THR A 61 9.761 -12.467 20.591 1.00 0.00 N ATOM 903 CA THR A 61 8.326 -12.729 20.672 1.00 0.00 C ATOM 904 C THR A 61 7.797 -13.468 19.445 1.00 0.00 C ATOM 905 O THR A 61 6.859 -14.262 19.546 1.00 0.00 O ATOM 906 CB THR A 61 7.527 -11.423 20.843 1.00 0.00 C ATOM 907 OG1 THR A 61 7.991 -10.439 19.907 1.00 0.00 O ATOM 908 CG2 THR A 61 7.643 -10.885 22.262 1.00 0.00 C ATOM 0 H THR A 61 10.013 -11.646 20.041 1.00 0.00 H new ATOM 0 HA THR A 61 8.189 -13.364 21.547 1.00 0.00 H new ATOM 0 HB THR A 61 6.477 -11.642 20.650 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.612 -9.565 20.136 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.068 -9.963 22.350 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.255 -11.623 22.964 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.690 -10.683 22.490 1.00 0.00 H new ATOM 916 N GLY A 62 8.398 -13.214 18.295 1.00 0.00 N ATOM 917 CA GLY A 62 7.886 -13.768 17.058 1.00 0.00 C ATOM 918 C GLY A 62 6.781 -12.912 16.473 1.00 0.00 C ATOM 919 O GLY A 62 5.828 -13.425 15.892 1.00 0.00 O ATOM 0 H GLY A 62 9.231 -12.634 18.194 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.698 -13.857 16.336 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.509 -14.775 17.239 1.00 0.00 H new ATOM 923 N HIS A 63 6.911 -11.600 16.634 1.00 0.00 N ATOM 924 CA HIS A 63 5.920 -10.659 16.117 1.00 0.00 C ATOM 925 C HIS A 63 6.465 -10.008 14.849 1.00 0.00 C ATOM 926 O HIS A 63 7.255 -9.067 14.918 1.00 0.00 O ATOM 927 CB HIS A 63 5.573 -9.590 17.164 1.00 0.00 C ATOM 928 CG HIS A 63 4.860 -10.112 18.385 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.603 -9.300 19.468 1.00 0.00 N ATOM 930 CD2 HIS A 63 4.358 -11.346 18.635 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.960 -10.047 20.339 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.787 -11.297 19.882 1.00 0.00 N ATOM 0 H HIS A 63 7.694 -11.162 17.119 1.00 0.00 H new ATOM 0 HA HIS A 63 5.003 -11.201 15.885 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.493 -9.098 17.480 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.950 -8.829 16.694 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.399 -12.203 17.979 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.615 -9.698 21.301 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.321 -12.063 20.368 1.00 0.00 H new ATOM 940 N PRO A 64 6.052 -10.511 13.676 1.00 0.00 N ATOM 941 CA PRO A 64 6.701 -10.196 12.400 1.00 0.00 C ATOM 942 C PRO A 64 6.237 -8.896 11.740 1.00 0.00 C ATOM 943 O PRO A 64 6.624 -8.614 10.605 1.00 0.00 O ATOM 944 CB PRO A 64 6.304 -11.389 11.535 1.00 0.00 C ATOM 945 CG PRO A 64 4.952 -11.777 12.028 1.00 0.00 C ATOM 946 CD PRO A 64 4.918 -11.439 13.498 1.00 0.00 C ATOM 0 HA PRO A 64 7.771 -10.040 12.536 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.279 -11.122 10.479 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.015 -12.209 11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.173 -11.238 11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.772 -12.840 11.870 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.973 -10.974 13.779 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.030 -12.330 14.115 1.00 0.00 H new ATOM 954 N ILE A 65 5.419 -8.106 12.423 1.00 0.00 N ATOM 955 CA ILE A 65 4.924 -6.866 11.834 1.00 0.00 C ATOM 956 C ILE A 65 5.120 -5.673 12.764 1.00 0.00 C ATOM 957 O ILE A 65 4.680 -5.678 13.920 1.00 0.00 O ATOM 958 CB ILE A 65 3.434 -6.961 11.431 1.00 0.00 C ATOM 959 CG1 ILE A 65 3.237 -8.052 10.371 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.938 -5.615 10.907 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.809 -8.191 9.892 1.00 0.00 C ATOM 0 H ILE A 65 5.088 -8.295 13.369 1.00 0.00 H new ATOM 0 HA ILE A 65 5.518 -6.712 10.933 1.00 0.00 H new ATOM 0 HB ILE A 65 2.852 -7.225 12.314 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.877 -7.834 9.516 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.567 -9.007 10.781 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.888 -5.698 10.627 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.048 -4.859 11.684 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.524 -5.326 10.034 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.751 -8.982 9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.165 -8.441 10.735 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.480 -7.250 9.451 1.00 0.00 H new ATOM 973 N ILE A 66 5.790 -4.657 12.241 1.00 0.00 N ATOM 974 CA ILE A 66 5.980 -3.404 12.950 1.00 0.00 C ATOM 975 C ILE A 66 5.509 -2.242 12.086 1.00 0.00 C ATOM 976 O ILE A 66 5.700 -2.244 10.873 1.00 0.00 O ATOM 977 CB ILE A 66 7.456 -3.178 13.346 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.362 -3.252 12.113 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.885 -4.195 14.394 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.794 -2.854 12.388 1.00 0.00 C ATOM 0 H ILE A 66 6.216 -4.679 11.315 1.00 0.00 H new ATOM 0 HA ILE A 66 5.390 -3.457 13.865 1.00 0.00 H new ATOM 0 HB ILE A 66 7.551 -2.181 13.777 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.345 -4.269 11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.957 -2.604 11.336 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.927 -4.023 14.663 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.260 -4.090 15.280 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.776 -5.202 13.990 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.376 -2.931 11.469 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.823 -1.827 12.751 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.218 -3.517 13.142 1.00 0.00 H new ATOM 992 N GLU A 67 4.883 -1.265 12.709 1.00 0.00 N ATOM 993 CA GLU A 67 4.373 -0.106 11.997 1.00 0.00 C ATOM 994 C GLU A 67 5.292 1.088 12.212 1.00 0.00 C ATOM 995 O GLU A 67 5.864 1.247 13.292 1.00 0.00 O ATOM 996 CB GLU A 67 2.963 0.216 12.488 1.00 0.00 C ATOM 997 CG GLU A 67 2.319 1.409 11.805 1.00 0.00 C ATOM 998 CD GLU A 67 0.939 1.689 12.351 1.00 0.00 C ATOM 999 OE1 GLU A 67 -0.014 1.021 11.918 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.806 2.560 13.230 1.00 0.00 O ATOM 0 H GLU A 67 4.713 -1.249 13.715 1.00 0.00 H new ATOM 0 HA GLU A 67 4.337 -0.327 10.930 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.330 -0.659 12.338 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.999 0.403 13.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.949 2.289 11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.255 1.223 10.733 1.00 0.00 H new ATOM 1007 N GLY A 68 5.450 1.908 11.182 1.00 0.00 N ATOM 1008 CA GLY A 68 6.263 3.101 11.304 1.00 0.00 C ATOM 1009 C GLY A 68 5.634 4.113 12.242 1.00 0.00 C ATOM 1010 O GLY A 68 4.672 4.786 11.880 1.00 0.00 O ATOM 0 H GLY A 68 5.029 1.768 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.253 2.831 11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.399 3.551 10.321 1.00 0.00 H new ATOM 1014 N TYR A 69 6.179 4.225 13.448 1.00 0.00 N ATOM 1015 CA TYR A 69 5.602 5.098 14.460 1.00 0.00 C ATOM 1016 C TYR A 69 6.258 6.476 14.434 1.00 0.00 C ATOM 1017 O TYR A 69 5.615 7.480 14.737 1.00 0.00 O ATOM 1018 CB TYR A 69 5.734 4.464 15.848 1.00 0.00 C ATOM 1019 CG TYR A 69 4.946 5.178 16.926 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.658 5.639 16.681 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.489 5.392 18.187 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.935 6.292 17.660 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.771 6.044 19.172 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.494 6.491 18.904 1.00 0.00 C ATOM 1025 OH TYR A 69 2.777 7.146 19.881 1.00 0.00 O ATOM 0 H TYR A 69 7.016 3.724 13.747 1.00 0.00 H new ATOM 0 HA TYR A 69 4.543 5.227 14.235 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.403 3.427 15.796 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.787 4.448 16.131 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.215 5.484 15.708 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.488 5.043 18.401 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.936 6.645 17.452 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.208 6.203 20.147 1.00 0.00 H new ATOM 0 HH TYR A 69 3.326 7.231 20.688 1.00 0.00 H new ATOM 1035 N ASP A 70 7.534 6.526 14.068 1.00 0.00 N ATOM 1036 CA ASP A 70 8.237 7.804 13.971 1.00 0.00 C ATOM 1037 C ASP A 70 7.902 8.547 12.662 1.00 0.00 C ATOM 1038 O ASP A 70 7.847 9.776 12.665 1.00 0.00 O ATOM 1039 CB ASP A 70 9.762 7.634 14.146 1.00 0.00 C ATOM 1040 CG ASP A 70 10.478 7.116 12.913 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.494 5.885 12.710 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.050 7.927 12.160 1.00 0.00 O ATOM 0 H ASP A 70 8.099 5.709 13.836 1.00 0.00 H new ATOM 0 HA ASP A 70 7.881 8.423 14.795 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.193 8.595 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.947 6.949 14.974 1.00 0.00 H new ATOM 1047 N PRO A 71 7.678 7.851 11.514 1.00 0.00 N ATOM 1048 CA PRO A 71 7.214 8.489 10.298 1.00 0.00 C ATOM 1049 C PRO A 71 5.704 8.327 10.103 1.00 0.00 C ATOM 1050 O PRO A 71 5.221 7.229 9.819 1.00 0.00 O ATOM 1051 CB PRO A 71 7.979 7.728 9.210 1.00 0.00 C ATOM 1052 CG PRO A 71 8.368 6.412 9.822 1.00 0.00 C ATOM 1053 CD PRO A 71 7.903 6.426 11.257 1.00 0.00 C ATOM 0 HA PRO A 71 7.386 9.565 10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.357 7.579 8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.859 8.285 8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.910 5.586 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.447 6.269 9.770 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.992 5.842 11.392 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.653 6.008 11.929 1.00 0.00 H new ATOM 1061 N PRO A 72 4.938 9.419 10.258 1.00 0.00 N ATOM 1062 CA PRO A 72 3.475 9.411 10.092 1.00 0.00 C ATOM 1063 C PRO A 72 3.037 9.239 8.632 1.00 0.00 C ATOM 1064 O PRO A 72 2.013 9.779 8.210 1.00 0.00 O ATOM 1065 CB PRO A 72 3.043 10.791 10.615 1.00 0.00 C ATOM 1066 CG PRO A 72 4.235 11.338 11.326 1.00 0.00 C ATOM 1067 CD PRO A 72 5.427 10.747 10.638 1.00 0.00 C ATOM 0 HA PRO A 72 3.022 8.573 10.621 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.740 11.444 9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.189 10.706 11.287 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.255 12.427 11.276 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.219 11.068 12.382 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.729 11.334 9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.291 10.689 11.299 1.00 0.00 H new ATOM 1075 N GLU A 73 3.808 8.468 7.876 1.00 0.00 N ATOM 1076 CA GLU A 73 3.495 8.186 6.484 1.00 0.00 C ATOM 1077 C GLU A 73 2.416 7.113 6.405 1.00 0.00 C ATOM 1078 O GLU A 73 1.620 7.072 5.464 1.00 0.00 O ATOM 1079 CB GLU A 73 4.752 7.713 5.752 1.00 0.00 C ATOM 1080 CG GLU A 73 5.934 8.656 5.902 1.00 0.00 C ATOM 1081 CD GLU A 73 7.212 8.090 5.323 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.888 7.304 6.019 1.00 0.00 O ATOM 1083 OE2 GLU A 73 7.565 8.446 4.182 1.00 0.00 O ATOM 0 H GLU A 73 4.663 8.023 8.210 1.00 0.00 H new ATOM 0 HA GLU A 73 3.129 9.097 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.033 6.729 6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.523 7.596 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.704 9.601 5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.085 8.876 6.959 1.00 0.00 H new ATOM 1090 N GLY A 74 2.398 6.248 7.411 1.00 0.00 N ATOM 1091 CA GLY A 74 1.424 5.181 7.457 1.00 0.00 C ATOM 1092 C GLY A 74 1.868 3.969 6.668 1.00 0.00 C ATOM 1093 O GLY A 74 1.400 3.737 5.553 1.00 0.00 O ATOM 0 H GLY A 74 3.045 6.269 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.251 4.894 8.494 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.474 5.541 7.063 1.00 0.00 H new ATOM 1097 N TRP A 75 2.781 3.197 7.234 1.00 0.00 N ATOM 1098 CA TRP A 75 3.238 1.976 6.595 1.00 0.00 C ATOM 1099 C TRP A 75 3.702 0.964 7.631 1.00 0.00 C ATOM 1100 O TRP A 75 4.031 1.325 8.765 1.00 0.00 O ATOM 1101 CB TRP A 75 4.353 2.262 5.577 1.00 0.00 C ATOM 1102 CG TRP A 75 5.508 3.053 6.115 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.712 4.394 5.976 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.624 2.553 6.864 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.887 4.760 6.582 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.463 3.649 7.139 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.995 1.287 7.329 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.648 3.515 7.855 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.171 1.157 8.040 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.984 2.266 8.297 1.00 0.00 C ATOM 0 H TRP A 75 3.219 3.395 8.134 1.00 0.00 H new ATOM 0 HA TRP A 75 2.394 1.549 6.054 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.728 1.313 5.194 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.925 2.800 4.732 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.045 5.071 5.463 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.269 5.705 6.613 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.372 0.426 7.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.280 4.368 8.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.468 0.184 8.403 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.898 2.132 8.857 1.00 0.00 H new ATOM 1121 N GLY A 76 3.720 -0.297 7.235 1.00 0.00 N ATOM 1122 CA GLY A 76 4.123 -1.355 8.130 1.00 0.00 C ATOM 1123 C GLY A 76 5.132 -2.281 7.491 1.00 0.00 C ATOM 1124 O GLY A 76 5.068 -2.548 6.289 1.00 0.00 O ATOM 0 H GLY A 76 3.459 -0.608 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.550 -0.922 9.035 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.246 -1.927 8.433 1.00 0.00 H new ATOM 1128 N TRP A 77 6.056 -2.777 8.294 1.00 0.00 N ATOM 1129 CA TRP A 77 7.103 -3.654 7.810 1.00 0.00 C ATOM 1130 C TRP A 77 6.869 -5.069 8.314 1.00 0.00 C ATOM 1131 O TRP A 77 6.597 -5.282 9.497 1.00 0.00 O ATOM 1132 CB TRP A 77 8.476 -3.149 8.269 1.00 0.00 C ATOM 1133 CG TRP A 77 9.615 -4.039 7.861 1.00 0.00 C ATOM 1134 CD1 TRP A 77 10.230 -4.991 8.627 1.00 0.00 C ATOM 1135 CD2 TRP A 77 10.273 -4.062 6.589 1.00 0.00 C ATOM 1136 NE1 TRP A 77 11.225 -5.605 7.905 1.00 0.00 N ATOM 1137 CE2 TRP A 77 11.273 -5.050 6.653 1.00 0.00 C ATOM 1138 CE3 TRP A 77 10.113 -3.343 5.402 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 12.108 -5.336 5.577 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.943 -3.627 4.334 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.929 -4.616 4.428 1.00 0.00 C ATOM 0 H TRP A 77 6.101 -2.584 9.295 1.00 0.00 H new ATOM 0 HA TRP A 77 7.082 -3.658 6.720 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.642 -2.152 7.861 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.473 -3.052 9.355 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.972 -5.226 9.649 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.830 -6.352 8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.354 -2.579 5.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.870 -6.099 5.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.829 -3.077 3.412 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.562 -4.815 3.576 1.00 0.00 H new ATOM 1152 N CYS A 78 6.960 -6.031 7.415 1.00 0.00 N ATOM 1153 CA CYS A 78 6.799 -7.425 7.783 1.00 0.00 C ATOM 1154 C CYS A 78 8.132 -8.140 7.624 1.00 0.00 C ATOM 1155 O CYS A 78 8.599 -8.329 6.505 1.00 0.00 O ATOM 1156 CB CYS A 78 5.733 -8.081 6.909 1.00 0.00 C ATOM 1157 SG CYS A 78 4.945 -9.543 7.655 1.00 0.00 S ATOM 0 H CYS A 78 7.145 -5.873 6.424 1.00 0.00 H new ATOM 0 HA CYS A 78 6.476 -7.493 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.963 -7.344 6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.186 -8.371 5.961 1.00 0.00 H new ATOM 1162 N TYR A 79 8.735 -8.521 8.747 1.00 0.00 N ATOM 1163 CA TYR A 79 10.084 -9.094 8.762 1.00 0.00 C ATOM 1164 C TYR A 79 10.236 -10.267 7.794 1.00 0.00 C ATOM 1165 O TYR A 79 11.044 -10.212 6.871 1.00 0.00 O ATOM 1166 CB TYR A 79 10.452 -9.549 10.176 1.00 0.00 C ATOM 1167 CG TYR A 79 10.649 -8.415 11.156 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.784 -7.617 11.098 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.710 -8.149 12.145 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.978 -6.587 11.997 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.896 -7.119 13.045 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.032 -6.342 12.967 1.00 0.00 C ATOM 1173 OH TYR A 79 11.224 -5.322 13.866 1.00 0.00 O ATOM 0 H TYR A 79 8.307 -8.443 9.670 1.00 0.00 H new ATOM 0 HA TYR A 79 10.762 -8.306 8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.668 -10.207 10.550 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.368 -10.139 10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.527 -7.805 10.337 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.820 -8.758 12.211 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.867 -5.977 11.940 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.155 -6.923 13.806 1.00 0.00 H new ATOM 0 HH TYR A 79 10.935 -5.612 14.756 1.00 0.00 H new ATOM 1183 N VAL A 80 9.446 -11.312 7.999 1.00 0.00 N ATOM 1184 CA VAL A 80 9.572 -12.541 7.214 1.00 0.00 C ATOM 1185 C VAL A 80 9.192 -12.336 5.743 1.00 0.00 C ATOM 1186 O VAL A 80 9.579 -13.122 4.880 1.00 0.00 O ATOM 1187 CB VAL A 80 8.728 -13.688 7.816 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.300 -14.123 9.156 1.00 0.00 C ATOM 1189 CG2 VAL A 80 7.273 -13.273 7.973 1.00 0.00 C ATOM 0 H VAL A 80 8.708 -11.337 8.703 1.00 0.00 H new ATOM 0 HA VAL A 80 10.625 -12.818 7.255 1.00 0.00 H new ATOM 0 HB VAL A 80 8.768 -14.532 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.694 -14.931 9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.324 -14.471 9.019 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.293 -13.279 9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.703 -14.099 8.398 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.210 -12.410 8.635 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.862 -13.013 6.998 1.00 0.00 H new ATOM 1199 N ASP A 81 8.433 -11.284 5.464 1.00 0.00 N ATOM 1200 CA ASP A 81 7.992 -10.997 4.098 1.00 0.00 C ATOM 1201 C ASP A 81 8.995 -10.095 3.398 1.00 0.00 C ATOM 1202 O ASP A 81 9.154 -10.159 2.180 1.00 0.00 O ATOM 1203 CB ASP A 81 6.629 -10.301 4.087 1.00 0.00 C ATOM 1204 CG ASP A 81 5.532 -11.084 4.777 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.765 -11.620 5.871 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.402 -11.114 4.261 1.00 0.00 O ATOM 0 H ASP A 81 8.109 -10.614 6.162 1.00 0.00 H new ATOM 0 HA ASP A 81 7.913 -11.951 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.725 -9.328 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.335 -10.117 3.054 1.00 0.00 H new ATOM 1211 N GLU A 82 9.637 -9.231 4.189 1.00 0.00 N ATOM 1212 CA GLU A 82 10.628 -8.275 3.689 1.00 0.00 C ATOM 1213 C GLU A 82 9.962 -7.205 2.829 1.00 0.00 C ATOM 1214 O GLU A 82 10.616 -6.530 2.033 1.00 0.00 O ATOM 1215 CB GLU A 82 11.729 -8.991 2.905 1.00 0.00 C ATOM 1216 CG GLU A 82 12.514 -9.979 3.746 1.00 0.00 C ATOM 1217 CD GLU A 82 13.478 -10.801 2.923 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.634 -10.365 2.739 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.084 -11.893 2.462 1.00 0.00 O ATOM 0 H GLU A 82 9.484 -9.175 5.196 1.00 0.00 H new ATOM 0 HA GLU A 82 11.087 -7.785 4.548 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.282 -9.516 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.414 -8.250 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.067 -9.439 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.821 -10.645 4.260 1.00 0.00 H new ATOM 1226 N VAL A 83 8.660 -7.039 3.015 1.00 0.00 N ATOM 1227 CA VAL A 83 7.903 -6.042 2.273 1.00 0.00 C ATOM 1228 C VAL A 83 7.388 -4.949 3.201 1.00 0.00 C ATOM 1229 O VAL A 83 7.065 -5.204 4.369 1.00 0.00 O ATOM 1230 CB VAL A 83 6.712 -6.666 1.508 1.00 0.00 C ATOM 1231 CG1 VAL A 83 7.198 -7.701 0.506 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.700 -7.280 2.465 1.00 0.00 C ATOM 0 H VAL A 83 8.105 -7.584 3.675 1.00 0.00 H new ATOM 0 HA VAL A 83 8.589 -5.609 1.545 1.00 0.00 H new ATOM 0 HB VAL A 83 6.213 -5.866 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.344 -8.127 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.867 -7.226 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.732 -8.493 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.876 -7.710 1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.182 -8.062 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.317 -6.509 3.133 1.00 0.00 H new ATOM 1242 N MET A 84 7.333 -3.736 2.678 1.00 0.00 N ATOM 1243 CA MET A 84 6.800 -2.599 3.409 1.00 0.00 C ATOM 1244 C MET A 84 5.478 -2.167 2.787 1.00 0.00 C ATOM 1245 O MET A 84 5.449 -1.607 1.691 1.00 0.00 O ATOM 1246 CB MET A 84 7.806 -1.445 3.389 1.00 0.00 C ATOM 1247 CG MET A 84 7.337 -0.198 4.122 1.00 0.00 C ATOM 1248 SD MET A 84 8.601 1.091 4.175 1.00 0.00 S ATOM 1249 CE MET A 84 8.951 1.300 2.430 1.00 0.00 C ATOM 0 H MET A 84 7.656 -3.512 1.737 1.00 0.00 H new ATOM 0 HA MET A 84 6.625 -2.885 4.446 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.741 -1.785 3.834 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.023 -1.184 2.353 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.445 0.193 3.633 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.052 -0.465 5.140 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.440 2.261 2.269 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.607 0.498 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.019 1.268 1.866 1.00 0.00 H new ATOM 1259 N PHE A 85 4.389 -2.437 3.486 1.00 0.00 N ATOM 1260 CA PHE A 85 3.054 -2.175 2.961 1.00 0.00 C ATOM 1261 C PHE A 85 2.460 -0.922 3.586 1.00 0.00 C ATOM 1262 O PHE A 85 2.978 -0.409 4.576 1.00 0.00 O ATOM 1263 CB PHE A 85 2.138 -3.382 3.203 1.00 0.00 C ATOM 1264 CG PHE A 85 2.156 -3.892 4.618 1.00 0.00 C ATOM 1265 CD1 PHE A 85 1.383 -3.292 5.599 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.945 -4.977 4.966 1.00 0.00 C ATOM 1267 CE1 PHE A 85 1.399 -3.764 6.897 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.964 -5.451 6.263 1.00 0.00 C ATOM 1269 CZ PHE A 85 2.190 -4.844 7.229 1.00 0.00 C ATOM 0 H PHE A 85 4.400 -2.839 4.423 1.00 0.00 H new ATOM 0 HA PHE A 85 3.137 -2.010 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.116 -3.108 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 85 2.434 -4.189 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.761 -2.446 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.553 -5.458 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.792 -3.287 7.652 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.585 -6.297 6.520 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.203 -5.213 8.244 1.00 0.00 H new ATOM 1279 N ASP A 86 1.370 -0.441 3.011 1.00 0.00 N ATOM 1280 CA ASP A 86 0.756 0.803 3.452 1.00 0.00 C ATOM 1281 C ASP A 86 -0.232 0.565 4.583 1.00 0.00 C ATOM 1282 O ASP A 86 -1.082 -0.324 4.509 1.00 0.00 O ATOM 1283 CB ASP A 86 0.040 1.489 2.290 1.00 0.00 C ATOM 1284 CG ASP A 86 0.964 1.785 1.130 1.00 0.00 C ATOM 1285 OD1 ASP A 86 1.219 0.863 0.324 1.00 0.00 O ATOM 1286 OD2 ASP A 86 1.430 2.940 1.012 1.00 0.00 O ATOM 0 H ASP A 86 0.889 -0.895 2.234 1.00 0.00 H new ATOM 0 HA ASP A 86 1.555 1.447 3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.777 0.854 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.406 2.420 2.641 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.117 1.373 5.622 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.028 1.317 6.753 1.00 0.00 C ATOM 1293 C LEU A 87 -1.614 2.694 7.018 1.00 0.00 C ATOM 1294 O LEU A 87 -2.016 3.003 8.133 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.312 0.803 8.006 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.032 -0.700 8.031 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.701 -1.083 9.307 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.330 -1.484 7.912 1.00 0.00 C ATOM 0 H LEU A 87 0.608 2.085 5.706 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.834 0.624 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.635 1.334 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.914 1.058 8.878 1.00 0.00 H new ATOM 0 HG LEU A 87 0.602 -0.947 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.892 -2.156 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.648 -0.545 9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.089 -0.822 10.170 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.113 -2.552 7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.985 -1.232 8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.823 -1.231 6.973 1.00 0.00 H new ATOM 1310 N SER A 88 -1.692 3.508 5.975 1.00 0.00 N ATOM 1311 CA SER A 88 -2.159 4.882 6.105 1.00 0.00 C ATOM 1312 C SER A 88 -3.635 4.940 6.508 1.00 0.00 C ATOM 1313 O SER A 88 -4.126 5.983 6.936 1.00 0.00 O ATOM 1314 CB SER A 88 -1.942 5.630 4.788 1.00 0.00 C ATOM 1315 OG SER A 88 -0.602 5.497 4.341 1.00 0.00 O ATOM 0 H SER A 88 -1.437 3.239 5.025 1.00 0.00 H new ATOM 0 HA SER A 88 -1.582 5.361 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.622 5.242 4.029 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.181 6.685 4.921 1.00 0.00 H new ATOM 0 HG SER A 88 -0.027 6.111 4.844 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.341 3.823 6.376 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.754 3.776 6.730 1.00 0.00 C ATOM 1323 C ASP A 89 -5.966 3.076 8.064 1.00 0.00 C ATOM 1324 O ASP A 89 -7.084 3.037 8.579 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.567 3.061 5.648 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.570 3.802 4.328 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.301 4.807 4.204 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -5.836 3.383 3.405 1.00 0.00 O ATOM 0 H ASP A 89 -3.961 2.943 6.028 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.098 4.807 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.161 2.061 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.594 2.939 5.993 1.00 0.00 H new ATOM 1333 N ARG A 90 -4.898 2.523 8.629 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.012 1.754 9.866 1.00 0.00 C ATOM 1335 C ARG A 90 -3.954 2.165 10.882 1.00 0.00 C ATOM 1336 O ARG A 90 -3.811 1.521 11.920 1.00 0.00 O ATOM 1337 CB ARG A 90 -4.867 0.255 9.585 1.00 0.00 C ATOM 1338 CG ARG A 90 -5.834 -0.284 8.545 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.756 -1.798 8.458 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.590 -2.337 7.387 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.628 -3.147 7.586 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -8.050 -3.408 8.818 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.263 -3.671 6.548 1.00 0.00 N ATOM 0 H ARG A 90 -3.951 2.591 8.255 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.999 1.962 10.279 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.848 0.057 9.253 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.011 -0.293 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.850 0.017 8.799 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.606 0.151 7.572 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.721 -2.097 8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.066 -2.231 9.409 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.363 -2.077 6.427 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.578 -2.987 9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.846 -4.029 8.964 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.956 -3.454 5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.058 -4.292 6.697 1.00 0.00 H new ATOM 1357 N MET A 91 -3.228 3.238 10.583 1.00 0.00 N ATOM 1358 CA MET A 91 -2.084 3.655 11.398 1.00 0.00 C ATOM 1359 C MET A 91 -2.486 3.970 12.837 1.00 0.00 C ATOM 1360 O MET A 91 -3.576 4.489 13.100 1.00 0.00 O ATOM 1361 CB MET A 91 -1.377 4.860 10.765 1.00 0.00 C ATOM 1362 CG MET A 91 -2.262 6.083 10.590 1.00 0.00 C ATOM 1363 SD MET A 91 -1.384 7.466 9.834 1.00 0.00 S ATOM 1364 CE MET A 91 -0.101 7.757 11.051 1.00 0.00 C ATOM 0 H MET A 91 -3.410 3.839 9.779 1.00 0.00 H new ATOM 0 HA MET A 91 -1.391 2.814 11.430 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.521 5.131 11.384 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.986 4.567 9.791 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.121 5.821 9.973 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.649 6.390 11.562 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.282 8.771 10.940 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.514 7.633 12.052 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.710 7.044 10.902 1.00 0.00 H new ATOM 1374 N THR A 92 -1.587 3.652 13.757 1.00 0.00 N ATOM 1375 CA THR A 92 -1.831 3.807 15.181 1.00 0.00 C ATOM 1376 C THR A 92 -1.843 5.281 15.585 1.00 0.00 C ATOM 1377 O THR A 92 -0.968 6.050 15.182 1.00 0.00 O ATOM 1378 CB THR A 92 -0.743 3.073 15.991 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.496 1.784 15.416 1.00 0.00 O ATOM 1380 CG2 THR A 92 -1.160 2.908 17.443 1.00 0.00 C ATOM 0 H THR A 92 -0.665 3.278 13.534 1.00 0.00 H new ATOM 0 HA THR A 92 -2.809 3.376 15.396 1.00 0.00 H new ATOM 0 HB THR A 92 0.167 3.673 15.958 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.240 1.849 14.772 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.374 2.387 17.990 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.323 3.889 17.888 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.082 2.329 17.493 1.00 0.00 H new ATOM 1388 N PRO A 93 -2.851 5.702 16.364 1.00 0.00 N ATOM 1389 CA PRO A 93 -2.922 7.064 16.897 1.00 0.00 C ATOM 1390 C PRO A 93 -1.804 7.333 17.901 1.00 0.00 C ATOM 1391 O PRO A 93 -1.723 6.675 18.943 1.00 0.00 O ATOM 1392 CB PRO A 93 -4.290 7.121 17.594 1.00 0.00 C ATOM 1393 CG PRO A 93 -5.041 5.933 17.092 1.00 0.00 C ATOM 1394 CD PRO A 93 -4.008 4.894 16.774 1.00 0.00 C ATOM 0 HA PRO A 93 -2.807 7.814 16.115 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.180 7.087 18.678 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.814 8.047 17.356 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.742 5.569 17.843 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.625 6.186 16.207 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.781 4.271 17.639 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.338 4.226 15.978 1.00 0.00 H new ATOM 1402 N HIS A 94 -0.937 8.288 17.576 1.00 0.00 N ATOM 1403 CA HIS A 94 0.194 8.622 18.438 1.00 0.00 C ATOM 1404 C HIS A 94 -0.290 9.121 19.798 1.00 0.00 C ATOM 1405 O HIS A 94 -1.286 9.842 19.887 1.00 0.00 O ATOM 1406 CB HIS A 94 1.117 9.662 17.772 1.00 0.00 C ATOM 1407 CG HIS A 94 0.569 11.062 17.712 1.00 0.00 C ATOM 1408 ND1 HIS A 94 1.199 12.136 18.302 1.00 0.00 N ATOM 1409 CD2 HIS A 94 -0.534 11.566 17.108 1.00 0.00 C ATOM 1410 CE1 HIS A 94 0.509 13.236 18.063 1.00 0.00 C ATOM 1411 NE2 HIS A 94 -0.544 12.917 17.341 1.00 0.00 N ATOM 0 H HIS A 94 -0.995 8.844 16.723 1.00 0.00 H new ATOM 0 HA HIS A 94 0.774 7.712 18.593 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.063 9.683 18.312 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.337 9.331 16.757 1.00 0.00 H new ATOM 0 HD1 HIS A 94 2.064 12.089 18.840 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.269 11.007 16.547 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.765 14.229 18.402 1.00 0.00 H new ATOM 1420 N ASN A 95 0.420 8.734 20.848 1.00 0.00 N ATOM 1421 CA ASN A 95 0.019 9.064 22.214 1.00 0.00 C ATOM 1422 C ASN A 95 0.630 10.387 22.674 1.00 0.00 C ATOM 1423 O ASN A 95 0.396 10.832 23.798 1.00 0.00 O ATOM 1424 CB ASN A 95 0.423 7.940 23.176 1.00 0.00 C ATOM 1425 CG ASN A 95 1.927 7.818 23.361 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.712 8.142 22.468 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.338 7.343 24.524 1.00 0.00 N ATOM 0 H ASN A 95 1.280 8.189 20.783 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.066 9.172 22.221 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.042 8.117 24.146 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.032 6.994 22.803 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.336 7.234 24.707 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.658 7.086 25.239 1.00 0.00 H new ATOM 1434 N GLY A 96 1.420 11.003 21.809 1.00 0.00 N ATOM 1435 CA GLY A 96 2.020 12.279 22.136 1.00 0.00 C ATOM 1436 C GLY A 96 3.031 12.718 21.097 1.00 0.00 C ATOM 1437 O GLY A 96 3.252 12.008 20.112 1.00 0.00 O ATOM 0 H GLY A 96 1.657 10.642 20.885 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.239 13.034 22.223 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.507 12.211 23.109 1.00 0.00 H new ATOM 1441 N PRO A 97 3.645 13.897 21.279 1.00 0.00 N ATOM 1442 CA PRO A 97 4.673 14.413 20.377 1.00 0.00 C ATOM 1443 C PRO A 97 6.023 13.744 20.616 1.00 0.00 C ATOM 1444 O PRO A 97 6.616 13.880 21.688 1.00 0.00 O ATOM 1445 CB PRO A 97 4.749 15.913 20.717 1.00 0.00 C ATOM 1446 CG PRO A 97 3.679 16.161 21.736 1.00 0.00 C ATOM 1447 CD PRO A 97 3.383 14.835 22.373 1.00 0.00 C ATOM 0 HA PRO A 97 4.430 14.221 19.332 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.731 16.174 21.111 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.590 16.523 19.828 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.012 16.884 22.481 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.786 16.575 21.268 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.024 14.645 23.234 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.353 14.773 22.724 1.00 0.00 H new ATOM 1455 N ILE A 98 6.500 13.018 19.619 1.00 0.00 N ATOM 1456 CA ILE A 98 7.759 12.297 19.734 1.00 0.00 C ATOM 1457 C ILE A 98 8.942 13.220 19.448 1.00 0.00 C ATOM 1458 O ILE A 98 8.963 13.909 18.428 1.00 0.00 O ATOM 1459 CB ILE A 98 7.804 11.097 18.764 1.00 0.00 C ATOM 1460 CG1 ILE A 98 6.614 10.167 19.020 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.121 10.341 18.905 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.582 8.956 18.114 1.00 0.00 C ATOM 0 H ILE A 98 6.034 12.911 18.718 1.00 0.00 H new ATOM 0 HA ILE A 98 7.829 11.928 20.757 1.00 0.00 H new ATOM 0 HB ILE A 98 7.738 11.471 17.742 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.642 9.833 20.057 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.690 10.730 18.891 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.133 9.499 18.213 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.951 11.010 18.677 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.222 9.973 19.926 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.712 8.345 18.354 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.522 9.280 17.075 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.489 8.369 18.259 1.00 0.00 H new ATOM 1474 N PRO A 99 9.929 13.262 20.360 1.00 0.00 N ATOM 1475 CA PRO A 99 11.152 14.046 20.167 1.00 0.00 C ATOM 1476 C PRO A 99 11.909 13.613 18.915 1.00 0.00 C ATOM 1477 O PRO A 99 12.415 12.490 18.833 1.00 0.00 O ATOM 1478 CB PRO A 99 11.979 13.754 21.424 1.00 0.00 C ATOM 1479 CG PRO A 99 10.993 13.274 22.433 1.00 0.00 C ATOM 1480 CD PRO A 99 9.922 12.564 21.656 1.00 0.00 C ATOM 0 HA PRO A 99 10.941 15.106 20.029 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.742 13.000 21.228 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.496 14.648 21.772 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.464 12.603 23.151 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.577 14.107 23.000 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.143 11.503 21.543 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.952 12.637 22.148 1.00 0.00 H new ATOM 1488 N ARG A 100 11.971 14.498 17.937 1.00 0.00 N ATOM 1489 CA ARG A 100 12.611 14.190 16.673 1.00 0.00 C ATOM 1490 C ARG A 100 14.076 14.600 16.709 1.00 0.00 C ATOM 1491 O ARG A 100 14.400 15.788 16.683 1.00 0.00 O ATOM 1492 CB ARG A 100 11.893 14.902 15.524 1.00 0.00 C ATOM 1493 CG ARG A 100 12.334 14.434 14.147 1.00 0.00 C ATOM 1494 CD ARG A 100 11.947 12.983 13.911 1.00 0.00 C ATOM 1495 NE ARG A 100 12.399 12.493 12.613 1.00 0.00 N ATOM 1496 CZ ARG A 100 11.712 11.630 11.866 1.00 0.00 C ATOM 1497 NH1 ARG A 100 10.498 11.236 12.236 1.00 0.00 N ATOM 1498 NH2 ARG A 100 12.225 11.189 10.727 1.00 0.00 N ATOM 0 H ARG A 100 11.584 15.440 17.995 1.00 0.00 H new ATOM 0 HA ARG A 100 12.552 13.114 16.509 1.00 0.00 H new ATOM 0 HB2 ARG A 100 10.819 14.745 15.625 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.068 15.975 15.607 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.879 15.064 13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.414 14.546 14.050 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.373 12.363 14.699 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.864 12.883 13.977 1.00 0.00 H new ATOM 0 HE ARG A 100 13.293 12.831 12.257 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.086 11.595 13.097 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.978 10.575 11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.144 11.510 10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.701 10.528 10.154 1.00 0.00 H new ATOM 1512 N TYR A 101 14.957 13.614 16.796 1.00 0.00 N ATOM 1513 CA TYR A 101 16.389 13.876 16.790 1.00 0.00 C ATOM 1514 C TYR A 101 16.901 13.996 15.360 1.00 0.00 C ATOM 1515 O TYR A 101 17.871 14.703 15.093 1.00 0.00 O ATOM 1516 CB TYR A 101 17.147 12.765 17.522 1.00 0.00 C ATOM 1517 CG TYR A 101 16.756 12.609 18.974 1.00 0.00 C ATOM 1518 CD1 TYR A 101 17.072 13.588 19.907 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.074 11.482 19.412 1.00 0.00 C ATOM 1520 CE1 TYR A 101 16.719 13.447 21.235 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.718 11.335 20.738 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.042 12.319 21.645 1.00 0.00 C ATOM 1523 OH TYR A 101 15.688 12.176 22.967 1.00 0.00 O ATOM 0 H TYR A 101 14.707 12.628 16.871 1.00 0.00 H new ATOM 0 HA TYR A 101 16.563 14.818 17.310 1.00 0.00 H new ATOM 0 HB2 TYR A 101 16.974 11.820 17.006 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.216 12.969 17.464 1.00 0.00 H new ATOM 0 HD1 TYR A 101 17.602 14.474 19.589 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.818 10.708 18.704 1.00 0.00 H new ATOM 0 HE1 TYR A 101 16.972 14.217 21.949 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.188 10.452 21.062 1.00 0.00 H new ATOM 0 HH TYR A 101 15.216 11.326 23.089 1.00 0.00 H new ATOM 1533 N VAL A 102 16.236 13.302 14.444 1.00 0.00 N ATOM 1534 CA VAL A 102 16.624 13.312 13.041 1.00 0.00 C ATOM 1535 C VAL A 102 15.595 14.058 12.188 1.00 0.00 C ATOM 1536 O VAL A 102 14.707 13.407 11.596 1.00 0.00 O ATOM 1537 CB VAL A 102 16.830 11.876 12.499 1.00 0.00 C ATOM 1538 CG1 VAL A 102 18.137 11.297 13.015 1.00 0.00 C ATOM 1539 CG2 VAL A 102 15.671 10.969 12.892 1.00 0.00 C ATOM 1540 OXT VAL A 102 15.670 15.303 12.127 1.00 0.00 O ATOM 0 H VAL A 102 15.422 12.723 14.650 1.00 0.00 H new ATOM 0 HA VAL A 102 17.575 13.840 12.974 1.00 0.00 H new ATOM 0 HB VAL A 102 16.869 11.932 11.411 1.00 0.00 H new ATOM 0 HG11 VAL A 102 18.267 10.287 12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 102 18.967 11.923 12.686 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.116 11.265 14.104 1.00 0.00 H new ATOM 0 HG21 VAL A 102 15.843 9.967 12.498 1.00 0.00 H new ATOM 0 HG22 VAL A 102 15.597 10.924 13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 102 14.743 11.366 12.481 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.701 -10.910 6.194 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.416 -7.418 19.817 1.00 0.00 ZN