USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 641 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 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0612 (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 9 GLN : amide:sc= -0.053 X(o=-0.053,f=-0.053) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.22 F(o=-2.5,f=-1.2) USER MOD Single : A 18 HIS : no HD1:sc= 0.16 K(o=0.16,f=-3.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 58:sc= 0.502 USER MOD Single : A 27 MET CE :methyl 142:sc= -2.5! (180deg=-3.93!) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.156 F(o=-1.3,f=-0.16) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0833 F(o=-0.6,f=-0.083) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000809) USER MOD Single : A 46 SER OG : rot -75:sc= 0.136 USER MOD Single : A 53 ASN : amide:sc= 0.162 K(o=0.16,f=-2.3!) USER MOD Single : A 56 HIS : no HD1:sc= -0.377 X(o=-0.38,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= -0.117 (180deg=-0.487) USER MOD Single : A 59 ASN : amide:sc= -2.91 X(o=-2.9,f=-2.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 173:sc= -0.0543 (180deg=-0.144) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 97:sc= 0.0288 USER MOD Single : A 81 LYS NZ :NH3+ -123:sc= -0.798 (180deg=-4.21!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 53:sc= 0.394 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.527 3.196 21.218 1.00 0.00 N ATOM 2 CA GLY A 1 -5.597 2.951 20.131 1.00 0.00 C ATOM 3 C GLY A 1 -4.837 1.651 20.299 1.00 0.00 C ATOM 4 O GLY A 1 -5.264 0.766 21.040 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.477 3.366 20.830 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.552 2.368 21.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.219 4.030 21.757 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.143 2.929 19.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.888 3.777 20.070 1.00 0.00 H new ATOM 8 N SER A 2 -3.707 1.534 19.609 1.00 0.00 N ATOM 9 CA SER A 2 -2.888 0.329 19.681 1.00 0.00 C ATOM 10 C SER A 2 -1.873 0.430 20.816 1.00 0.00 C ATOM 11 O SER A 2 -1.514 1.526 21.247 1.00 0.00 O ATOM 12 CB SER A 2 -2.165 0.098 18.353 1.00 0.00 C ATOM 13 OG SER A 2 -3.052 -0.408 17.371 1.00 0.00 O ATOM 0 H SER A 2 -3.338 2.259 18.994 1.00 0.00 H new ATOM 0 HA SER A 2 -3.546 -0.517 19.879 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.728 1.034 18.005 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.343 -0.602 18.500 1.00 0.00 H new ATOM 0 HG SER A 2 -2.566 -0.545 16.531 1.00 0.00 H new ATOM 19 N SER A 3 -1.413 -0.722 21.294 1.00 0.00 N ATOM 20 CA SER A 3 -0.442 -0.765 22.381 1.00 0.00 C ATOM 21 C SER A 3 0.898 -1.307 21.891 1.00 0.00 C ATOM 22 O SER A 3 0.952 -2.112 20.962 1.00 0.00 O ATOM 23 CB SER A 3 -0.967 -1.630 23.528 1.00 0.00 C ATOM 24 OG SER A 3 0.047 -1.872 24.489 1.00 0.00 O ATOM 0 H SER A 3 -1.697 -1.638 20.946 1.00 0.00 H new ATOM 0 HA SER A 3 -0.292 0.252 22.742 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.813 -1.134 24.004 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.333 -2.578 23.135 1.00 0.00 H new ATOM 0 HG SER A 3 -0.314 -2.426 25.213 1.00 0.00 H new ATOM 30 N GLY A 4 1.978 -0.859 22.524 1.00 0.00 N ATOM 31 CA GLY A 4 3.303 -1.309 22.140 1.00 0.00 C ATOM 32 C GLY A 4 4.402 -0.566 22.872 1.00 0.00 C ATOM 33 O GLY A 4 4.505 0.657 22.776 1.00 0.00 O ATOM 0 H GLY A 4 1.959 -0.192 23.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.394 -2.376 22.342 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.432 -1.176 21.066 1.00 0.00 H new ATOM 37 N SER A 5 5.226 -1.306 23.608 1.00 0.00 N ATOM 38 CA SER A 5 6.321 -0.709 24.364 1.00 0.00 C ATOM 39 C SER A 5 7.534 -0.472 23.470 1.00 0.00 C ATOM 40 O SER A 5 8.346 -1.372 23.256 1.00 0.00 O ATOM 41 CB SER A 5 6.707 -1.608 25.539 1.00 0.00 C ATOM 42 OG SER A 5 5.647 -1.708 26.475 1.00 0.00 O ATOM 0 H SER A 5 5.156 -2.320 23.697 1.00 0.00 H new ATOM 0 HA SER A 5 5.982 0.253 24.748 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.966 -2.601 25.171 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.594 -1.208 26.031 1.00 0.00 H new ATOM 0 HG SER A 5 5.918 -2.290 27.216 1.00 0.00 H new ATOM 48 N SER A 6 7.649 0.745 22.949 1.00 0.00 N ATOM 49 CA SER A 6 8.760 1.101 22.074 1.00 0.00 C ATOM 50 C SER A 6 9.134 2.571 22.240 1.00 0.00 C ATOM 51 O SER A 6 8.500 3.302 22.999 1.00 0.00 O ATOM 52 CB SER A 6 8.399 0.816 20.615 1.00 0.00 C ATOM 53 OG SER A 6 7.350 1.660 20.175 1.00 0.00 O ATOM 0 H SER A 6 6.986 1.502 23.118 1.00 0.00 H new ATOM 0 HA SER A 6 9.620 0.492 22.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.276 0.962 19.985 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.100 -0.227 20.508 1.00 0.00 H new ATOM 0 HG SER A 6 7.139 1.459 19.239 1.00 0.00 H new ATOM 59 N GLY A 7 10.169 2.996 21.522 1.00 0.00 N ATOM 60 CA GLY A 7 10.610 4.376 21.603 1.00 0.00 C ATOM 61 C GLY A 7 10.876 4.981 20.239 1.00 0.00 C ATOM 62 O GLY A 7 10.370 6.057 19.920 1.00 0.00 O ATOM 0 H GLY A 7 10.710 2.410 20.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.852 4.967 22.117 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.518 4.429 22.204 1.00 0.00 H new ATOM 66 N ASP A 8 11.673 4.289 19.432 1.00 0.00 N ATOM 67 CA ASP A 8 12.007 4.764 18.094 1.00 0.00 C ATOM 68 C ASP A 8 11.641 3.724 17.041 1.00 0.00 C ATOM 69 O ASP A 8 12.414 3.461 16.120 1.00 0.00 O ATOM 70 CB ASP A 8 13.497 5.096 18.005 1.00 0.00 C ATOM 71 CG ASP A 8 14.375 3.949 18.464 1.00 0.00 C ATOM 72 OD1 ASP A 8 14.292 2.860 17.858 1.00 0.00 O ATOM 73 OD2 ASP A 8 15.143 4.139 19.430 1.00 0.00 O ATOM 0 H ASP A 8 12.100 3.397 19.681 1.00 0.00 H new ATOM 0 HA ASP A 8 11.429 5.668 17.901 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.748 5.352 16.976 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.707 5.976 18.613 1.00 0.00 H new ATOM 78 N GLN A 9 10.458 3.135 17.184 1.00 0.00 N ATOM 79 CA GLN A 9 9.991 2.122 16.246 1.00 0.00 C ATOM 80 C GLN A 9 8.796 2.630 15.445 1.00 0.00 C ATOM 81 O GLN A 9 7.645 2.404 15.818 1.00 0.00 O ATOM 82 CB GLN A 9 9.611 0.841 16.992 1.00 0.00 C ATOM 83 CG GLN A 9 9.076 -0.255 16.085 1.00 0.00 C ATOM 84 CD GLN A 9 10.003 -0.557 14.924 1.00 0.00 C ATOM 85 OE1 GLN A 9 9.601 -0.494 13.762 1.00 0.00 O ATOM 86 NE2 GLN A 9 11.251 -0.886 15.233 1.00 0.00 N ATOM 0 H GLN A 9 9.806 3.342 17.940 1.00 0.00 H new ATOM 0 HA GLN A 9 10.804 1.904 15.553 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.486 0.467 17.523 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.859 1.078 17.744 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.924 -1.163 16.669 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.101 0.042 15.699 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.541 -0.926 16.210 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.920 -1.099 14.493 1.00 0.00 H new ATOM 95 N ASP A 10 9.079 3.319 14.345 1.00 0.00 N ATOM 96 CA ASP A 10 8.028 3.860 13.491 1.00 0.00 C ATOM 97 C ASP A 10 8.561 4.151 12.091 1.00 0.00 C ATOM 98 O ASP A 10 9.646 4.711 11.932 1.00 0.00 O ATOM 99 CB ASP A 10 7.448 5.135 14.104 1.00 0.00 C ATOM 100 CG ASP A 10 6.955 4.923 15.522 1.00 0.00 C ATOM 101 OD1 ASP A 10 7.799 4.866 16.441 1.00 0.00 O ATOM 102 OD2 ASP A 10 5.726 4.813 15.714 1.00 0.00 O ATOM 0 H ASP A 10 10.027 3.516 14.024 1.00 0.00 H new ATOM 0 HA ASP A 10 7.238 3.113 13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.209 5.915 14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.624 5.490 13.485 1.00 0.00 H new ATOM 107 N THR A 11 7.791 3.766 11.078 1.00 0.00 N ATOM 108 CA THR A 11 8.186 3.983 9.692 1.00 0.00 C ATOM 109 C THR A 11 7.154 4.826 8.952 1.00 0.00 C ATOM 110 O THR A 11 5.950 4.684 9.169 1.00 0.00 O ATOM 111 CB THR A 11 8.373 2.648 8.946 1.00 0.00 C ATOM 112 OG1 THR A 11 9.101 1.727 9.765 1.00 0.00 O ATOM 113 CG2 THR A 11 9.112 2.862 7.633 1.00 0.00 C ATOM 0 H THR A 11 6.890 3.302 11.192 1.00 0.00 H new ATOM 0 HA THR A 11 9.137 4.515 9.714 1.00 0.00 H new ATOM 0 HB THR A 11 7.387 2.237 8.727 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.214 0.881 9.284 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.233 1.906 7.123 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.540 3.541 7.000 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.093 3.293 7.834 1.00 0.00 H new ATOM 121 N LEU A 12 7.632 5.703 8.076 1.00 0.00 N ATOM 122 CA LEU A 12 6.749 6.569 7.302 1.00 0.00 C ATOM 123 C LEU A 12 5.589 5.775 6.711 1.00 0.00 C ATOM 124 O LEU A 12 4.467 6.273 6.616 1.00 0.00 O ATOM 125 CB LEU A 12 7.532 7.259 6.183 1.00 0.00 C ATOM 126 CG LEU A 12 6.696 7.932 5.094 1.00 0.00 C ATOM 127 CD1 LEU A 12 5.970 9.145 5.653 1.00 0.00 C ATOM 128 CD2 LEU A 12 7.573 8.328 3.916 1.00 0.00 C ATOM 0 H LEU A 12 8.625 5.833 7.884 1.00 0.00 H new ATOM 0 HA LEU A 12 6.343 7.326 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.181 8.011 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.180 6.520 5.711 1.00 0.00 H new ATOM 0 HG LEU A 12 5.951 7.219 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.380 9.611 4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.311 8.833 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.698 9.861 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.961 8.805 3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.342 9.024 4.252 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.046 7.439 3.499 1.00 0.00 H new ATOM 140 N VAL A 13 5.865 4.537 6.316 1.00 0.00 N ATOM 141 CA VAL A 13 4.844 3.673 5.737 1.00 0.00 C ATOM 142 C VAL A 13 3.484 3.923 6.379 1.00 0.00 C ATOM 143 O VAL A 13 3.337 3.836 7.597 1.00 0.00 O ATOM 144 CB VAL A 13 5.209 2.185 5.899 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.019 1.302 5.557 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.410 1.834 5.033 1.00 0.00 C ATOM 0 H VAL A 13 6.788 4.109 6.386 1.00 0.00 H new ATOM 0 HA VAL A 13 4.792 3.913 4.675 1.00 0.00 H new ATOM 0 HB VAL A 13 5.476 2.006 6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.296 0.255 5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.189 1.536 6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.718 1.481 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.654 0.779 5.160 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.174 2.029 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.264 2.442 5.331 1.00 0.00 H new ATOM 156 N GLN A 14 2.493 4.235 5.550 1.00 0.00 N ATOM 157 CA GLN A 14 1.144 4.498 6.037 1.00 0.00 C ATOM 158 C GLN A 14 0.170 3.430 5.550 1.00 0.00 C ATOM 159 O GLN A 14 0.381 2.815 4.504 1.00 0.00 O ATOM 160 CB GLN A 14 0.675 5.880 5.580 1.00 0.00 C ATOM 161 CG GLN A 14 1.030 6.197 4.136 1.00 0.00 C ATOM 162 CD GLN A 14 0.819 7.657 3.789 1.00 0.00 C ATOM 163 OE1 GLN A 14 1.251 8.051 2.597 1.00 0.00 O flip ATOM 164 NE2 GLN A 14 0.275 8.424 4.585 1.00 0.00 N flip ATOM 0 H GLN A 14 2.599 4.312 4.538 1.00 0.00 H new ATOM 0 HA GLN A 14 1.167 4.472 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.406 5.946 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.116 6.637 6.228 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.072 5.932 3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.424 5.579 3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.042 8.078 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.141 9.405 4.338 1.00 0.00 H new ATOM 173 N ARG A 15 -0.895 3.215 6.314 1.00 0.00 N ATOM 174 CA ARG A 15 -1.901 2.220 5.960 1.00 0.00 C ATOM 175 C ARG A 15 -3.285 2.855 5.869 1.00 0.00 C ATOM 176 O ARG A 15 -3.511 3.952 6.379 1.00 0.00 O ATOM 177 CB ARG A 15 -1.913 1.089 6.990 1.00 0.00 C ATOM 178 CG ARG A 15 -0.682 0.199 6.932 1.00 0.00 C ATOM 179 CD ARG A 15 0.453 0.762 7.772 1.00 0.00 C ATOM 180 NE ARG A 15 0.088 0.871 9.182 1.00 0.00 N ATOM 181 CZ ARG A 15 0.975 0.913 10.170 1.00 0.00 C ATOM 182 NH1 ARG A 15 2.273 0.857 9.903 1.00 0.00 N ATOM 183 NH2 ARG A 15 0.565 1.012 11.428 1.00 0.00 N ATOM 0 H ARG A 15 -1.084 3.716 7.182 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.644 1.810 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.993 1.519 7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.801 0.477 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.937 -0.800 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.354 0.097 5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.330 0.122 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.732 1.745 7.393 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.902 0.917 9.421 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.592 0.782 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.952 0.889 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.432 1.056 11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.247 1.044 12.186 1.00 0.00 H new ATOM 197 N ALA A 16 -4.209 2.157 5.217 1.00 0.00 N ATOM 198 CA ALA A 16 -5.571 2.651 5.060 1.00 0.00 C ATOM 199 C ALA A 16 -6.529 1.927 6.000 1.00 0.00 C ATOM 200 O ALA A 16 -6.373 0.734 6.261 1.00 0.00 O ATOM 201 CB ALA A 16 -6.027 2.496 3.617 1.00 0.00 C ATOM 0 H ALA A 16 -4.039 1.247 4.789 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.579 3.710 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.046 2.869 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.365 3.064 2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.997 1.443 3.337 1.00 0.00 H new ATOM 207 N GLU A 17 -7.519 2.656 6.506 1.00 0.00 N ATOM 208 CA GLU A 17 -8.501 2.081 7.418 1.00 0.00 C ATOM 209 C GLU A 17 -9.613 1.377 6.647 1.00 0.00 C ATOM 210 O GLU A 17 -10.404 2.016 5.952 1.00 0.00 O ATOM 211 CB GLU A 17 -9.097 3.170 8.313 1.00 0.00 C ATOM 212 CG GLU A 17 -9.684 2.638 9.609 1.00 0.00 C ATOM 213 CD GLU A 17 -10.362 3.719 10.429 1.00 0.00 C ATOM 214 OE1 GLU A 17 -9.645 4.550 11.025 1.00 0.00 O ATOM 215 OE2 GLU A 17 -11.610 3.733 10.475 1.00 0.00 O ATOM 0 H GLU A 17 -7.662 3.645 6.300 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.993 1.345 8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.322 3.900 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.875 3.697 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.406 1.853 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.892 2.181 10.202 1.00 0.00 H new ATOM 222 N HIS A 18 -9.668 0.054 6.773 1.00 0.00 N ATOM 223 CA HIS A 18 -10.683 -0.738 6.089 1.00 0.00 C ATOM 224 C HIS A 18 -12.084 -0.302 6.504 1.00 0.00 C ATOM 225 O HIS A 18 -12.417 -0.296 7.690 1.00 0.00 O ATOM 226 CB HIS A 18 -10.488 -2.225 6.390 1.00 0.00 C ATOM 227 CG HIS A 18 -9.480 -2.889 5.503 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.822 -3.799 4.526 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.133 -2.769 5.449 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.728 -4.212 3.910 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.689 -3.601 4.452 1.00 0.00 N ATOM 0 H HIS A 18 -9.021 -0.491 7.343 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.574 -0.575 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.177 -2.339 7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.445 -2.737 6.286 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.521 -2.136 6.074 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.690 -4.927 3.101 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.716 -3.727 4.174 1.00 0.00 H new ATOM 240 N ILE A 19 -12.901 0.063 5.521 1.00 0.00 N ATOM 241 CA ILE A 19 -14.266 0.500 5.786 1.00 0.00 C ATOM 242 C ILE A 19 -15.279 -0.440 5.142 1.00 0.00 C ATOM 243 O ILE A 19 -15.257 -0.684 3.935 1.00 0.00 O ATOM 244 CB ILE A 19 -14.509 1.930 5.269 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.570 2.915 5.968 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.961 2.331 5.483 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.790 3.003 7.462 1.00 0.00 C ATOM 0 H ILE A 19 -12.641 0.065 4.535 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.398 0.486 6.868 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.300 1.954 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.539 2.619 5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.703 3.904 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.117 3.344 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.612 1.643 4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.196 2.293 6.547 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.090 3.720 7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.811 3.329 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.628 2.024 7.912 1.00 0.00 H new ATOM 259 N PRO A 20 -16.190 -0.981 5.964 1.00 0.00 N ATOM 260 CA PRO A 20 -17.231 -1.902 5.496 1.00 0.00 C ATOM 261 C PRO A 20 -18.278 -1.204 4.635 1.00 0.00 C ATOM 262 O PRO A 20 -18.257 0.017 4.483 1.00 0.00 O ATOM 263 CB PRO A 20 -17.860 -2.414 6.794 1.00 0.00 C ATOM 264 CG PRO A 20 -17.600 -1.339 7.792 1.00 0.00 C ATOM 265 CD PRO A 20 -16.276 -0.735 7.413 1.00 0.00 C ATOM 0 HA PRO A 20 -16.824 -2.691 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.929 -2.591 6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.413 -3.359 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.391 -0.589 7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.569 -1.744 8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.240 0.330 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.452 -1.205 7.950 1.00 0.00 H new ATOM 273 N ALA A 21 -19.193 -1.987 4.074 1.00 0.00 N ATOM 274 CA ALA A 21 -20.250 -1.443 3.230 1.00 0.00 C ATOM 275 C ALA A 21 -21.368 -0.838 4.072 1.00 0.00 C ATOM 276 O ALA A 21 -21.560 -1.212 5.228 1.00 0.00 O ATOM 277 CB ALA A 21 -20.804 -2.525 2.314 1.00 0.00 C ATOM 0 H ALA A 21 -19.224 -3.000 4.189 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.820 -0.649 2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.592 -2.105 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.005 -2.909 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.212 -3.337 2.916 1.00 0.00 H new ATOM 283 N GLY A 22 -22.104 0.101 3.484 1.00 0.00 N ATOM 284 CA GLY A 22 -23.193 0.744 4.196 1.00 0.00 C ATOM 285 C GLY A 22 -22.705 1.784 5.185 1.00 0.00 C ATOM 286 O GLY A 22 -23.189 2.917 5.196 1.00 0.00 O ATOM 0 H GLY A 22 -21.965 0.428 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.864 1.216 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.774 -0.012 4.725 1.00 0.00 H new ATOM 290 N LYS A 23 -21.745 1.400 6.020 1.00 0.00 N ATOM 291 CA LYS A 23 -21.191 2.307 7.018 1.00 0.00 C ATOM 292 C LYS A 23 -21.158 3.739 6.494 1.00 0.00 C ATOM 293 O LYS A 23 -21.591 4.669 7.175 1.00 0.00 O ATOM 294 CB LYS A 23 -19.780 1.864 7.412 1.00 0.00 C ATOM 295 CG LYS A 23 -19.219 2.614 8.608 1.00 0.00 C ATOM 296 CD LYS A 23 -18.338 1.719 9.464 1.00 0.00 C ATOM 297 CE LYS A 23 -17.533 2.528 10.470 1.00 0.00 C ATOM 298 NZ LYS A 23 -16.464 1.712 11.108 1.00 0.00 N ATOM 0 H LYS A 23 -21.335 0.466 6.025 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.834 2.276 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.792 0.797 7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.113 2.003 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.642 3.472 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.039 3.004 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.958 0.994 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.660 1.154 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.085 3.387 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -18.200 2.919 11.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.938 2.299 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.893 0.906 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.813 1.360 10.377 1.00 0.00 H new ATOM 312 N ARG A 24 -20.644 3.909 5.280 1.00 0.00 N ATOM 313 CA ARG A 24 -20.555 5.228 4.666 1.00 0.00 C ATOM 314 C ARG A 24 -20.285 5.112 3.168 1.00 0.00 C ATOM 315 O ARG A 24 -19.607 4.188 2.717 1.00 0.00 O ATOM 316 CB ARG A 24 -19.452 6.051 5.332 1.00 0.00 C ATOM 317 CG ARG A 24 -19.339 7.468 4.793 1.00 0.00 C ATOM 318 CD ARG A 24 -17.938 8.027 4.984 1.00 0.00 C ATOM 319 NE ARG A 24 -17.604 8.196 6.396 1.00 0.00 N ATOM 320 CZ ARG A 24 -18.006 9.229 7.127 1.00 0.00 C ATOM 321 NH1 ARG A 24 -18.753 10.181 6.584 1.00 0.00 N ATOM 322 NH2 ARG A 24 -17.661 9.312 8.406 1.00 0.00 N ATOM 0 H ARG A 24 -20.283 3.150 4.703 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.510 5.733 4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.640 6.093 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.498 5.542 5.195 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.594 7.477 3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -20.060 8.110 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.214 7.358 4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.858 8.988 4.475 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.031 7.482 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.021 10.121 5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.060 10.973 7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -17.087 8.582 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.970 10.106 8.967 1.00 0.00 H new ATOM 336 N THR A 25 -20.820 6.057 2.401 1.00 0.00 N ATOM 337 CA THR A 25 -20.639 6.061 0.955 1.00 0.00 C ATOM 338 C THR A 25 -19.999 7.362 0.485 1.00 0.00 C ATOM 339 O THR A 25 -20.636 8.199 -0.157 1.00 0.00 O ATOM 340 CB THR A 25 -21.978 5.866 0.220 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.899 6.896 0.597 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.576 4.503 0.537 1.00 0.00 C ATOM 0 H THR A 25 -21.382 6.830 2.758 1.00 0.00 H new ATOM 0 HA THR A 25 -19.978 5.227 0.717 1.00 0.00 H new ATOM 0 HB THR A 25 -21.790 5.922 -0.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.510 7.773 0.396 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.521 4.388 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.886 3.721 0.222 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.750 4.423 1.610 1.00 0.00 H new ATOM 350 N PRO A 26 -18.710 7.540 0.808 1.00 0.00 N ATOM 351 CA PRO A 26 -17.956 8.738 0.427 1.00 0.00 C ATOM 352 C PRO A 26 -17.689 8.802 -1.073 1.00 0.00 C ATOM 353 O PRO A 26 -18.127 7.935 -1.828 1.00 0.00 O ATOM 354 CB PRO A 26 -16.641 8.590 1.198 1.00 0.00 C ATOM 355 CG PRO A 26 -16.493 7.123 1.416 1.00 0.00 C ATOM 356 CD PRO A 26 -17.889 6.585 1.571 1.00 0.00 C ATOM 0 HA PRO A 26 -18.501 9.653 0.658 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.802 8.993 0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.674 9.130 2.144 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.985 6.653 0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.895 6.919 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.976 5.574 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.190 6.544 2.618 1.00 0.00 H new ATOM 364 N MET A 27 -16.968 9.835 -1.497 1.00 0.00 N ATOM 365 CA MET A 27 -16.642 10.011 -2.907 1.00 0.00 C ATOM 366 C MET A 27 -15.190 9.631 -3.181 1.00 0.00 C ATOM 367 O MET A 27 -14.267 10.232 -2.631 1.00 0.00 O ATOM 368 CB MET A 27 -16.892 11.458 -3.334 1.00 0.00 C ATOM 369 CG MET A 27 -18.321 11.721 -3.781 1.00 0.00 C ATOM 370 SD MET A 27 -19.527 11.395 -2.481 1.00 0.00 S ATOM 371 CE MET A 27 -20.816 10.572 -3.414 1.00 0.00 C ATOM 0 H MET A 27 -16.599 10.562 -0.884 1.00 0.00 H new ATOM 0 HA MET A 27 -17.287 9.352 -3.488 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.652 12.120 -2.502 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.213 11.711 -4.148 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.412 12.758 -4.103 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.548 11.098 -4.646 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.243 9.769 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 27 -21.596 11.290 -3.668 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.394 10.156 -4.329 1.00 0.00 H new ATOM 381 N CYS A 28 -14.995 8.632 -4.035 1.00 0.00 N ATOM 382 CA CYS A 28 -13.656 8.171 -4.381 1.00 0.00 C ATOM 383 C CYS A 28 -12.739 9.351 -4.692 1.00 0.00 C ATOM 384 O CYS A 28 -13.189 10.492 -4.789 1.00 0.00 O ATOM 385 CB CYS A 28 -13.714 7.226 -5.583 1.00 0.00 C ATOM 386 SG CYS A 28 -12.269 6.127 -5.734 1.00 0.00 S ATOM 0 H CYS A 28 -15.748 8.126 -4.501 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.251 7.633 -3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.615 6.617 -5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.803 7.818 -6.494 1.00 0.00 H new ATOM 391 N ALA A 29 -11.450 9.066 -4.847 1.00 0.00 N ATOM 392 CA ALA A 29 -10.470 10.102 -5.149 1.00 0.00 C ATOM 393 C ALA A 29 -10.052 10.052 -6.615 1.00 0.00 C ATOM 394 O ALA A 29 -9.992 11.081 -7.289 1.00 0.00 O ATOM 395 CB ALA A 29 -9.254 9.958 -4.246 1.00 0.00 C ATOM 0 H ALA A 29 -11.060 8.127 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.934 11.071 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.531 10.738 -4.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.561 10.052 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.798 8.981 -4.403 1.00 0.00 H new ATOM 401 N HIS A 30 -9.763 8.850 -7.102 1.00 0.00 N ATOM 402 CA HIS A 30 -9.351 8.666 -8.489 1.00 0.00 C ATOM 403 C HIS A 30 -10.542 8.800 -9.433 1.00 0.00 C ATOM 404 O HIS A 30 -10.592 9.710 -10.261 1.00 0.00 O ATOM 405 CB HIS A 30 -8.693 7.298 -8.671 1.00 0.00 C ATOM 406 CG HIS A 30 -8.619 6.854 -10.099 1.00 0.00 C ATOM 407 ND1 HIS A 30 -9.544 6.263 -10.892 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -7.488 6.999 -10.875 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -8.961 6.065 -12.119 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -7.721 6.518 -12.083 1.00 0.00 N flip ATOM 0 H HIS A 30 -9.806 7.989 -6.557 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.628 9.444 -8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.685 7.331 -8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.250 6.557 -8.097 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.557 7.437 -10.546 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.439 5.612 -12.975 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.056 6.500 -12.856 1.00 0.00 H new ATOM 419 N CYS A 31 -11.500 7.888 -9.302 1.00 0.00 N ATOM 420 CA CYS A 31 -12.690 7.903 -10.143 1.00 0.00 C ATOM 421 C CYS A 31 -13.696 8.936 -9.644 1.00 0.00 C ATOM 422 O CYS A 31 -14.584 9.360 -10.382 1.00 0.00 O ATOM 423 CB CYS A 31 -13.337 6.517 -10.171 1.00 0.00 C ATOM 424 SG CYS A 31 -14.145 6.041 -8.609 1.00 0.00 S ATOM 0 H CYS A 31 -11.475 7.129 -8.621 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.387 8.176 -11.154 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.075 6.489 -10.973 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.574 5.777 -10.413 1.00 0.00 H new ATOM 429 N ASN A 32 -13.549 9.337 -8.385 1.00 0.00 N ATOM 430 CA ASN A 32 -14.444 10.320 -7.786 1.00 0.00 C ATOM 431 C ASN A 32 -15.903 9.921 -7.988 1.00 0.00 C ATOM 432 O ASN A 32 -16.724 10.731 -8.418 1.00 0.00 O ATOM 433 CB ASN A 32 -14.194 11.703 -8.391 1.00 0.00 C ATOM 434 CG ASN A 32 -13.151 12.490 -7.621 1.00 0.00 C ATOM 435 OD1 ASN A 32 -11.980 12.666 -8.223 1.00 0.00 O flip ATOM 436 ND2 ASN A 32 -13.395 12.935 -6.499 1.00 0.00 N flip ATOM 0 H ASN A 32 -12.818 8.996 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.240 10.356 -6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.870 11.591 -9.426 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.129 12.264 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.309 12.776 -6.075 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.683 13.463 -5.994 1.00 0.00 H new ATOM 443 N GLN A 33 -16.217 8.668 -7.674 1.00 0.00 N ATOM 444 CA GLN A 33 -17.577 8.162 -7.820 1.00 0.00 C ATOM 445 C GLN A 33 -18.098 7.612 -6.497 1.00 0.00 C ATOM 446 O GLN A 33 -17.380 6.922 -5.774 1.00 0.00 O ATOM 447 CB GLN A 33 -17.625 7.074 -8.894 1.00 0.00 C ATOM 448 CG GLN A 33 -17.109 7.532 -10.248 1.00 0.00 C ATOM 449 CD GLN A 33 -17.686 6.727 -11.396 1.00 0.00 C ATOM 450 OE1 GLN A 33 -17.866 5.513 -11.289 1.00 0.00 O ATOM 451 NE2 GLN A 33 -17.980 7.399 -12.502 1.00 0.00 N ATOM 0 H GLN A 33 -15.549 7.985 -7.317 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.216 8.991 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.036 6.220 -8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.653 6.729 -9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.354 8.585 -10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.022 7.453 -10.264 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.815 8.404 -12.547 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.371 6.910 -13.307 1.00 0.00 H new ATOM 460 N VAL A 34 -19.353 7.922 -6.186 1.00 0.00 N ATOM 461 CA VAL A 34 -19.972 7.458 -4.950 1.00 0.00 C ATOM 462 C VAL A 34 -19.692 5.977 -4.718 1.00 0.00 C ATOM 463 O VAL A 34 -20.010 5.136 -5.559 1.00 0.00 O ATOM 464 CB VAL A 34 -21.495 7.685 -4.965 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.139 6.915 -6.108 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.106 7.285 -3.631 1.00 0.00 C ATOM 0 H VAL A 34 -19.961 8.493 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.534 8.039 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.685 8.747 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.215 7.088 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.722 7.255 -7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.942 5.850 -5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.183 7.452 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.907 6.230 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.666 7.886 -2.835 1.00 0.00 H new ATOM 476 N ILE A 35 -19.095 5.666 -3.572 1.00 0.00 N ATOM 477 CA ILE A 35 -18.774 4.287 -3.229 1.00 0.00 C ATOM 478 C ILE A 35 -19.903 3.642 -2.431 1.00 0.00 C ATOM 479 O ILE A 35 -20.231 4.086 -1.331 1.00 0.00 O ATOM 480 CB ILE A 35 -17.470 4.198 -2.415 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.347 4.956 -3.127 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.079 2.744 -2.197 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.290 5.492 -2.187 1.00 0.00 C ATOM 0 H ILE A 35 -18.824 6.351 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.643 3.750 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.635 4.659 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.875 4.293 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.778 5.786 -3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.155 2.698 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.872 2.232 -1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.929 2.259 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.526 6.017 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.749 6.181 -1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.832 4.665 -1.645 1.00 0.00 H new ATOM 495 N ARG A 36 -20.491 2.591 -2.993 1.00 0.00 N ATOM 496 CA ARG A 36 -21.583 1.884 -2.334 1.00 0.00 C ATOM 497 C ARG A 36 -21.044 0.833 -1.368 1.00 0.00 C ATOM 498 O ARG A 36 -21.383 0.831 -0.185 1.00 0.00 O ATOM 499 CB ARG A 36 -22.490 1.221 -3.372 1.00 0.00 C ATOM 500 CG ARG A 36 -23.176 2.209 -4.301 1.00 0.00 C ATOM 501 CD ARG A 36 -24.266 1.538 -5.121 1.00 0.00 C ATOM 502 NE ARG A 36 -23.718 0.593 -6.091 1.00 0.00 N ATOM 503 CZ ARG A 36 -24.355 0.222 -7.196 1.00 0.00 C ATOM 504 NH1 ARG A 36 -25.556 0.714 -7.470 1.00 0.00 N ATOM 505 NH2 ARG A 36 -23.791 -0.642 -8.030 1.00 0.00 N ATOM 0 H ARG A 36 -20.230 2.210 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.164 2.611 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.899 0.526 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.249 0.633 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.607 3.021 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.439 2.654 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.952 1.016 -4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -24.846 2.298 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 36 -22.796 0.196 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -25.993 1.379 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -26.043 0.427 -8.319 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.867 -1.022 -7.823 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.281 -0.926 -8.878 1.00 0.00 H new ATOM 519 N GLY A 37 -20.205 -0.061 -1.881 1.00 0.00 N ATOM 520 CA GLY A 37 -19.634 -1.106 -1.051 1.00 0.00 C ATOM 521 C GLY A 37 -18.549 -0.585 -0.129 1.00 0.00 C ATOM 522 O GLY A 37 -18.475 0.608 0.167 1.00 0.00 O ATOM 0 H GLY A 37 -19.910 -0.081 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.423 -1.565 -0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.221 -1.887 -1.689 1.00 0.00 H new ATOM 526 N PRO A 38 -17.682 -1.493 0.343 1.00 0.00 N ATOM 527 CA PRO A 38 -16.581 -1.143 1.245 1.00 0.00 C ATOM 528 C PRO A 38 -15.498 -0.327 0.548 1.00 0.00 C ATOM 529 O PRO A 38 -15.116 -0.623 -0.585 1.00 0.00 O ATOM 530 CB PRO A 38 -16.030 -2.504 1.678 1.00 0.00 C ATOM 531 CG PRO A 38 -16.398 -3.431 0.571 1.00 0.00 C ATOM 532 CD PRO A 38 -17.710 -2.932 0.032 1.00 0.00 C ATOM 0 HA PRO A 38 -16.916 -0.520 2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.950 -2.467 1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.466 -2.825 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.633 -3.435 -0.206 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.489 -4.455 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.798 -3.110 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.555 -3.429 0.508 1.00 0.00 H new ATOM 540 N PHE A 39 -15.006 0.701 1.231 1.00 0.00 N ATOM 541 CA PHE A 39 -13.966 1.560 0.676 1.00 0.00 C ATOM 542 C PHE A 39 -12.790 1.684 1.641 1.00 0.00 C ATOM 543 O PHE A 39 -12.830 1.162 2.756 1.00 0.00 O ATOM 544 CB PHE A 39 -14.533 2.947 0.365 1.00 0.00 C ATOM 545 CG PHE A 39 -14.887 3.739 1.591 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.915 4.450 2.277 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.191 3.772 2.058 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.237 5.180 3.405 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.519 4.500 3.186 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.541 5.204 3.861 1.00 0.00 C ATOM 0 H PHE A 39 -15.310 0.960 2.169 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.609 1.105 -0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.803 3.506 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.422 2.836 -0.256 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.894 4.433 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.960 3.223 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.470 5.731 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.539 4.518 3.539 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.795 5.772 4.744 1.00 0.00 H new ATOM 560 N LEU A 40 -11.745 2.376 1.204 1.00 0.00 N ATOM 561 CA LEU A 40 -10.556 2.569 2.028 1.00 0.00 C ATOM 562 C LEU A 40 -10.320 4.050 2.305 1.00 0.00 C ATOM 563 O LEU A 40 -10.775 4.913 1.555 1.00 0.00 O ATOM 564 CB LEU A 40 -9.331 1.966 1.339 1.00 0.00 C ATOM 565 CG LEU A 40 -9.538 0.607 0.668 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.404 0.312 -0.301 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.649 -0.492 1.714 1.00 0.00 C ATOM 0 H LEU A 40 -11.696 2.813 0.284 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.717 2.062 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.979 2.671 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.536 1.866 2.078 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.470 0.639 0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.568 -0.659 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.372 1.084 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.458 0.299 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.796 -1.452 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.734 -0.525 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.497 -0.288 2.368 1.00 0.00 H new ATOM 579 N VAL A 41 -9.604 4.338 3.388 1.00 0.00 N ATOM 580 CA VAL A 41 -9.305 5.714 3.763 1.00 0.00 C ATOM 581 C VAL A 41 -7.930 5.819 4.415 1.00 0.00 C ATOM 582 O VAL A 41 -7.708 5.296 5.506 1.00 0.00 O ATOM 583 CB VAL A 41 -10.364 6.276 4.730 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.628 5.294 5.861 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.923 7.625 5.277 1.00 0.00 C ATOM 0 H VAL A 41 -9.221 3.636 4.021 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.315 6.301 2.845 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.294 6.419 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.379 5.708 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.990 4.352 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.704 5.117 6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.683 8.007 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.980 7.510 5.812 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.789 8.326 4.453 1.00 0.00 H new ATOM 595 N ALA A 42 -7.011 6.501 3.738 1.00 0.00 N ATOM 596 CA ALA A 42 -5.659 6.677 4.253 1.00 0.00 C ATOM 597 C ALA A 42 -5.196 8.122 4.095 1.00 0.00 C ATOM 598 O ALA A 42 -4.919 8.807 5.081 1.00 0.00 O ATOM 599 CB ALA A 42 -4.698 5.733 3.546 1.00 0.00 C ATOM 0 H ALA A 42 -7.178 6.940 2.833 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.668 6.439 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.692 5.875 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.011 4.702 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.702 5.944 2.477 1.00 0.00 H new ATOM 605 N LEU A 43 -5.113 8.579 2.851 1.00 0.00 N ATOM 606 CA LEU A 43 -4.683 9.943 2.564 1.00 0.00 C ATOM 607 C LEU A 43 -5.867 10.904 2.585 1.00 0.00 C ATOM 608 O LEU A 43 -6.339 11.346 1.539 1.00 0.00 O ATOM 609 CB LEU A 43 -3.987 10.003 1.203 1.00 0.00 C ATOM 610 CG LEU A 43 -2.643 9.280 1.103 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.666 9.825 2.133 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.830 7.781 1.283 1.00 0.00 C ATOM 0 H LEU A 43 -5.338 8.025 2.024 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.980 10.246 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.659 9.583 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.834 11.050 0.942 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.229 9.458 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.715 9.299 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.509 10.889 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.073 9.678 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.864 7.282 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.266 7.584 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.495 7.401 0.507 1.00 0.00 H new ATOM 624 N GLY A 44 -6.341 11.224 3.786 1.00 0.00 N ATOM 625 CA GLY A 44 -7.465 12.132 3.921 1.00 0.00 C ATOM 626 C GLY A 44 -8.422 12.049 2.749 1.00 0.00 C ATOM 627 O GLY A 44 -8.961 13.063 2.304 1.00 0.00 O ATOM 0 H GLY A 44 -5.967 10.871 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.003 11.905 4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.094 13.153 4.012 1.00 0.00 H new ATOM 631 N LYS A 45 -8.635 10.838 2.246 1.00 0.00 N ATOM 632 CA LYS A 45 -9.533 10.625 1.118 1.00 0.00 C ATOM 633 C LYS A 45 -10.010 9.177 1.068 1.00 0.00 C ATOM 634 O LYS A 45 -9.564 8.339 1.852 1.00 0.00 O ATOM 635 CB LYS A 45 -8.833 10.987 -0.194 1.00 0.00 C ATOM 636 CG LYS A 45 -8.945 12.458 -0.556 1.00 0.00 C ATOM 637 CD LYS A 45 -8.590 12.701 -2.014 1.00 0.00 C ATOM 638 CE LYS A 45 -7.090 12.613 -2.245 1.00 0.00 C ATOM 639 NZ LYS A 45 -6.387 13.849 -1.802 1.00 0.00 N ATOM 0 H LYS A 45 -8.197 9.988 2.602 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.401 11.271 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.779 10.719 -0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.258 10.389 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.961 12.805 -0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.283 13.043 0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.099 11.968 -2.640 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.949 13.684 -2.318 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.689 11.754 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.895 12.444 -3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.369 13.756 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.763 14.668 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.538 13.988 -0.782 1.00 0.00 H new ATOM 653 N SER A 46 -10.919 8.889 0.142 1.00 0.00 N ATOM 654 CA SER A 46 -11.458 7.542 -0.008 1.00 0.00 C ATOM 655 C SER A 46 -11.027 6.930 -1.338 1.00 0.00 C ATOM 656 O SER A 46 -11.195 7.536 -2.396 1.00 0.00 O ATOM 657 CB SER A 46 -12.985 7.568 0.084 1.00 0.00 C ATOM 658 OG SER A 46 -13.554 8.184 -1.058 1.00 0.00 O ATOM 0 H SER A 46 -11.298 9.570 -0.516 1.00 0.00 H new ATOM 0 HA SER A 46 -11.063 6.927 0.800 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.364 6.550 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.289 8.107 0.981 1.00 0.00 H new ATOM 0 HG SER A 46 -13.432 9.155 -1.001 1.00 0.00 H new ATOM 664 N TRP A 47 -10.473 5.725 -1.274 1.00 0.00 N ATOM 665 CA TRP A 47 -10.018 5.029 -2.473 1.00 0.00 C ATOM 666 C TRP A 47 -10.625 3.633 -2.555 1.00 0.00 C ATOM 667 O TRP A 47 -10.682 2.910 -1.560 1.00 0.00 O ATOM 668 CB TRP A 47 -8.491 4.935 -2.484 1.00 0.00 C ATOM 669 CG TRP A 47 -7.816 6.178 -1.989 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.783 6.635 -0.702 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.080 7.124 -2.771 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.070 7.808 -0.638 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.627 8.129 -1.894 1.00 0.00 C ATOM 674 CE3 TRP A 47 -6.756 7.219 -4.128 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.871 9.213 -2.331 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.006 8.296 -4.560 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.569 9.280 -3.664 1.00 0.00 C ATOM 0 H TRP A 47 -10.328 5.209 -0.406 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.347 5.600 -3.341 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.182 4.092 -1.867 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.154 4.727 -3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.249 6.146 0.141 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.898 8.352 0.208 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.086 6.464 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.535 9.974 -1.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.752 8.381 -5.606 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.982 10.108 -4.033 1.00 0.00 H new ATOM 688 N HIS A 48 -11.079 3.259 -3.748 1.00 0.00 N ATOM 689 CA HIS A 48 -11.682 1.948 -3.959 1.00 0.00 C ATOM 690 C HIS A 48 -10.674 0.836 -3.689 1.00 0.00 C ATOM 691 O HIS A 48 -9.493 0.940 -4.023 1.00 0.00 O ATOM 692 CB HIS A 48 -12.215 1.833 -5.388 1.00 0.00 C ATOM 693 CG HIS A 48 -13.630 2.299 -5.539 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.003 3.305 -6.406 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.767 1.889 -4.929 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.307 3.495 -6.321 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.795 2.648 -5.432 1.00 0.00 N ATOM 0 H HIS A 48 -11.041 3.845 -4.582 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.511 1.840 -3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.577 2.415 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.147 0.794 -5.710 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.850 1.110 -4.185 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.878 4.220 -6.883 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.776 2.570 -5.163 1.00 0.00 H new ATOM 705 N PRO A 49 -11.147 -0.255 -3.068 1.00 0.00 N ATOM 706 CA PRO A 49 -10.303 -1.407 -2.739 1.00 0.00 C ATOM 707 C PRO A 49 -9.868 -2.181 -3.979 1.00 0.00 C ATOM 708 O PRO A 49 -8.985 -3.035 -3.910 1.00 0.00 O ATOM 709 CB PRO A 49 -11.210 -2.272 -1.859 1.00 0.00 C ATOM 710 CG PRO A 49 -12.595 -1.903 -2.266 1.00 0.00 C ATOM 711 CD PRO A 49 -12.543 -0.448 -2.641 1.00 0.00 C ATOM 0 HA PRO A 49 -9.375 -1.106 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.020 -3.334 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.042 -2.073 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.930 -2.511 -3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.299 -2.071 -1.451 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.244 -0.214 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.797 0.194 -1.797 1.00 0.00 H new ATOM 719 N GLU A 50 -10.494 -1.876 -5.111 1.00 0.00 N ATOM 720 CA GLU A 50 -10.171 -2.544 -6.366 1.00 0.00 C ATOM 721 C GLU A 50 -9.184 -1.717 -7.185 1.00 0.00 C ATOM 722 O GLU A 50 -8.323 -2.263 -7.873 1.00 0.00 O ATOM 723 CB GLU A 50 -11.443 -2.792 -7.179 1.00 0.00 C ATOM 724 CG GLU A 50 -12.211 -1.524 -7.511 1.00 0.00 C ATOM 725 CD GLU A 50 -13.320 -1.759 -8.518 1.00 0.00 C ATOM 726 OE1 GLU A 50 -13.023 -2.262 -9.622 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.486 -1.441 -8.201 1.00 0.00 O ATOM 0 H GLU A 50 -11.227 -1.171 -5.185 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.707 -3.501 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.178 -3.299 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.094 -3.466 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.637 -1.112 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.520 -0.778 -7.905 1.00 0.00 H new ATOM 734 N GLU A 51 -9.318 -0.396 -7.104 1.00 0.00 N ATOM 735 CA GLU A 51 -8.439 0.506 -7.838 1.00 0.00 C ATOM 736 C GLU A 51 -7.146 0.754 -7.067 1.00 0.00 C ATOM 737 O GLU A 51 -6.053 0.699 -7.631 1.00 0.00 O ATOM 738 CB GLU A 51 -9.147 1.835 -8.109 1.00 0.00 C ATOM 739 CG GLU A 51 -10.112 1.783 -9.282 1.00 0.00 C ATOM 740 CD GLU A 51 -11.039 2.982 -9.328 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.262 3.600 -8.266 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.543 3.301 -10.425 1.00 0.00 O ATOM 0 H GLU A 51 -10.026 0.072 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.190 0.035 -8.789 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.692 2.136 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.398 2.604 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.545 1.731 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.706 0.871 -9.219 1.00 0.00 H new ATOM 749 N PHE A 52 -7.279 1.027 -5.773 1.00 0.00 N ATOM 750 CA PHE A 52 -6.123 1.285 -4.923 1.00 0.00 C ATOM 751 C PHE A 52 -5.014 0.271 -5.190 1.00 0.00 C ATOM 752 O PHE A 52 -4.965 -0.789 -4.568 1.00 0.00 O ATOM 753 CB PHE A 52 -6.527 1.239 -3.448 1.00 0.00 C ATOM 754 CG PHE A 52 -5.604 2.013 -2.550 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.268 3.325 -2.844 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.074 1.428 -1.411 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.419 4.038 -2.019 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.225 2.137 -0.582 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.898 3.444 -0.886 1.00 0.00 C ATOM 0 H PHE A 52 -8.176 1.075 -5.290 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.746 2.280 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.538 1.633 -3.344 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.555 0.200 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.674 3.795 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.327 0.407 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.163 5.059 -2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.818 1.670 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.236 4.001 -0.239 1.00 0.00 H new ATOM 769 N ASN A 53 -4.127 0.605 -6.121 1.00 0.00 N ATOM 770 CA ASN A 53 -3.019 -0.276 -6.473 1.00 0.00 C ATOM 771 C ASN A 53 -1.700 0.490 -6.493 1.00 0.00 C ATOM 772 O ASN A 53 -1.656 1.663 -6.867 1.00 0.00 O ATOM 773 CB ASN A 53 -3.268 -0.923 -7.837 1.00 0.00 C ATOM 774 CG ASN A 53 -4.224 -2.097 -7.755 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.887 -3.150 -7.214 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.426 -1.919 -8.292 1.00 0.00 N ATOM 0 H ASN A 53 -4.154 1.479 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.953 -1.057 -5.715 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.671 -0.177 -8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.319 -1.259 -8.255 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.113 -2.673 -8.266 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.662 -1.029 -8.730 1.00 0.00 H new ATOM 783 N CYS A 54 -0.626 -0.181 -6.090 1.00 0.00 N ATOM 784 CA CYS A 54 0.695 0.435 -6.062 1.00 0.00 C ATOM 785 C CYS A 54 0.976 1.180 -7.364 1.00 0.00 C ATOM 786 O CYS A 54 0.246 1.035 -8.344 1.00 0.00 O ATOM 787 CB CYS A 54 1.771 -0.628 -5.828 1.00 0.00 C ATOM 788 SG CYS A 54 3.396 0.051 -5.361 1.00 0.00 S ATOM 0 H CYS A 54 -0.645 -1.152 -5.778 1.00 0.00 H new ATOM 0 HA CYS A 54 0.717 1.152 -5.242 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.433 -1.306 -5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.884 -1.221 -6.735 1.00 0.00 H new ATOM 793 N ALA A 55 2.039 1.978 -7.365 1.00 0.00 N ATOM 794 CA ALA A 55 2.418 2.744 -8.546 1.00 0.00 C ATOM 795 C ALA A 55 3.576 2.080 -9.282 1.00 0.00 C ATOM 796 O ALA A 55 3.865 2.412 -10.433 1.00 0.00 O ATOM 797 CB ALA A 55 2.784 4.168 -8.156 1.00 0.00 C ATOM 0 H ALA A 55 2.653 2.111 -6.561 1.00 0.00 H new ATOM 0 HA ALA A 55 1.562 2.773 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.065 4.729 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.928 4.647 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.622 4.150 -7.459 1.00 0.00 H new ATOM 803 N HIS A 56 4.238 1.142 -8.612 1.00 0.00 N ATOM 804 CA HIS A 56 5.366 0.432 -9.204 1.00 0.00 C ATOM 805 C HIS A 56 4.989 -1.010 -9.531 1.00 0.00 C ATOM 806 O HIS A 56 5.198 -1.479 -10.651 1.00 0.00 O ATOM 807 CB HIS A 56 6.565 0.455 -8.255 1.00 0.00 C ATOM 808 CG HIS A 56 7.697 -0.418 -8.700 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.759 0.048 -9.445 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.931 -1.736 -8.499 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.597 -0.945 -9.685 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.117 -2.039 -9.121 1.00 0.00 N ATOM 0 H HIS A 56 4.013 0.856 -7.659 1.00 0.00 H new ATOM 0 HA HIS A 56 5.636 0.938 -10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.923 1.480 -8.160 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.240 0.138 -7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.302 -2.422 -7.951 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.517 -0.874 -10.246 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.556 -2.959 -9.144 1.00 0.00 H new ATOM 821 N CYS A 57 4.433 -1.709 -8.547 1.00 0.00 N ATOM 822 CA CYS A 57 4.028 -3.098 -8.729 1.00 0.00 C ATOM 823 C CYS A 57 2.527 -3.197 -8.985 1.00 0.00 C ATOM 824 O CYS A 57 2.006 -4.272 -9.283 1.00 0.00 O ATOM 825 CB CYS A 57 4.402 -3.926 -7.498 1.00 0.00 C ATOM 826 SG CYS A 57 3.512 -3.449 -5.982 1.00 0.00 S ATOM 0 H CYS A 57 4.253 -1.336 -7.615 1.00 0.00 H new ATOM 0 HA CYS A 57 4.554 -3.493 -9.598 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.204 -4.977 -7.707 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.474 -3.832 -7.322 1.00 0.00 H new ATOM 831 N LYS A 58 1.836 -2.069 -8.866 1.00 0.00 N ATOM 832 CA LYS A 58 0.395 -2.026 -9.086 1.00 0.00 C ATOM 833 C LYS A 58 -0.297 -3.189 -8.382 1.00 0.00 C ATOM 834 O LYS A 58 -1.048 -3.942 -8.999 1.00 0.00 O ATOM 835 CB LYS A 58 0.085 -2.066 -10.584 1.00 0.00 C ATOM 836 CG LYS A 58 1.029 -1.223 -11.423 1.00 0.00 C ATOM 837 CD LYS A 58 2.321 -1.964 -11.724 1.00 0.00 C ATOM 838 CE LYS A 58 2.945 -1.490 -13.027 1.00 0.00 C ATOM 839 NZ LYS A 58 2.098 -1.830 -14.204 1.00 0.00 N ATOM 0 H LYS A 58 2.251 -1.171 -8.618 1.00 0.00 H new ATOM 0 HA LYS A 58 0.017 -1.093 -8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.131 -3.099 -10.928 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.937 -1.721 -10.744 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.540 -0.949 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.255 -0.295 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.026 -1.815 -10.906 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.123 -3.034 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.094 -0.411 -12.987 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.929 -1.944 -13.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.694 -1.892 -15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.630 -2.744 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.378 -1.092 -14.339 1.00 0.00 H new ATOM 853 N ASN A 59 -0.040 -3.327 -7.085 1.00 0.00 N ATOM 854 CA ASN A 59 -0.639 -4.398 -6.297 1.00 0.00 C ATOM 855 C ASN A 59 -1.528 -3.830 -5.194 1.00 0.00 C ATOM 856 O ASN A 59 -1.209 -2.805 -4.590 1.00 0.00 O ATOM 857 CB ASN A 59 0.451 -5.281 -5.685 1.00 0.00 C ATOM 858 CG ASN A 59 1.273 -5.998 -6.738 1.00 0.00 C ATOM 859 OD1 ASN A 59 2.502 -6.019 -6.674 1.00 0.00 O ATOM 860 ND2 ASN A 59 0.596 -6.590 -7.715 1.00 0.00 N ATOM 0 H ASN A 59 0.579 -2.711 -6.558 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.256 -5.003 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.109 -4.667 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.009 -6.016 -5.024 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.095 -7.088 -8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.423 -6.547 -7.728 1.00 0.00 H new ATOM 867 N THR A 60 -2.645 -4.503 -4.937 1.00 0.00 N ATOM 868 CA THR A 60 -3.580 -4.066 -3.908 1.00 0.00 C ATOM 869 C THR A 60 -2.861 -3.789 -2.593 1.00 0.00 C ATOM 870 O THR A 60 -2.173 -4.657 -2.056 1.00 0.00 O ATOM 871 CB THR A 60 -4.681 -5.116 -3.667 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.619 -4.630 -2.700 1.00 0.00 O ATOM 873 CG2 THR A 60 -4.081 -6.428 -3.184 1.00 0.00 C ATOM 0 H THR A 60 -2.924 -5.353 -5.427 1.00 0.00 H new ATOM 0 HA THR A 60 -4.039 -3.145 -4.269 1.00 0.00 H new ATOM 0 HB THR A 60 -5.194 -5.295 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.316 -5.303 -2.554 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.877 -7.154 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.390 -6.810 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.545 -6.261 -2.250 1.00 0.00 H new ATOM 881 N MET A 61 -3.025 -2.575 -2.078 1.00 0.00 N ATOM 882 CA MET A 61 -2.392 -2.185 -0.823 1.00 0.00 C ATOM 883 C MET A 61 -3.425 -2.067 0.293 1.00 0.00 C ATOM 884 O MET A 61 -3.350 -1.166 1.128 1.00 0.00 O ATOM 885 CB MET A 61 -1.652 -0.857 -0.991 1.00 0.00 C ATOM 886 CG MET A 61 -0.930 -0.728 -2.323 1.00 0.00 C ATOM 887 SD MET A 61 -1.931 0.088 -3.580 1.00 0.00 S ATOM 888 CE MET A 61 -1.464 1.799 -3.327 1.00 0.00 C ATOM 0 H MET A 61 -3.591 -1.844 -2.510 1.00 0.00 H new ATOM 0 HA MET A 61 -1.675 -2.960 -0.551 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.365 -0.038 -0.893 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.929 -0.749 -0.183 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.007 -0.167 -2.178 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.648 -1.720 -2.676 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.904 2.416 -4.110 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.825 2.135 -2.355 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.378 1.889 -3.362 1.00 0.00 H new ATOM 898 N ALA A 62 -4.388 -2.983 0.301 1.00 0.00 N ATOM 899 CA ALA A 62 -5.434 -2.982 1.316 1.00 0.00 C ATOM 900 C ALA A 62 -4.899 -3.471 2.657 1.00 0.00 C ATOM 901 O ALA A 62 -5.159 -2.867 3.698 1.00 0.00 O ATOM 902 CB ALA A 62 -6.606 -3.844 0.867 1.00 0.00 C ATOM 0 H ALA A 62 -4.465 -3.735 -0.384 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.779 -1.956 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.380 -3.834 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.013 -3.449 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.265 -4.867 0.708 1.00 0.00 H new ATOM 908 N TYR A 63 -4.151 -4.568 2.626 1.00 0.00 N ATOM 909 CA TYR A 63 -3.581 -5.140 3.840 1.00 0.00 C ATOM 910 C TYR A 63 -2.176 -4.601 4.089 1.00 0.00 C ATOM 911 O TYR A 63 -1.829 -4.237 5.213 1.00 0.00 O ATOM 912 CB TYR A 63 -3.544 -6.666 3.742 1.00 0.00 C ATOM 913 CG TYR A 63 -4.903 -7.292 3.530 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.710 -7.630 4.610 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.381 -7.547 2.251 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.953 -8.203 4.422 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.623 -8.119 2.053 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.405 -8.445 3.142 1.00 0.00 C ATOM 919 OH TYR A 63 -8.642 -9.016 2.949 1.00 0.00 O ATOM 0 H TYR A 63 -3.925 -5.079 1.773 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.215 -4.852 4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.889 -6.953 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.106 -7.070 4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.359 -7.441 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.771 -7.294 1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.567 -8.460 5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.980 -8.310 1.052 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.809 -9.118 1.989 1.00 0.00 H new ATOM 929 N ILE A 64 -1.372 -4.552 3.032 1.00 0.00 N ATOM 930 CA ILE A 64 -0.005 -4.056 3.134 1.00 0.00 C ATOM 931 C ILE A 64 0.019 -2.539 3.290 1.00 0.00 C ATOM 932 O ILE A 64 -1.015 -1.878 3.196 1.00 0.00 O ATOM 933 CB ILE A 64 0.830 -4.447 1.901 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.195 -3.883 0.628 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.960 -5.960 1.808 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.162 -3.765 -0.529 1.00 0.00 C ATOM 0 H ILE A 64 -1.644 -4.850 2.095 1.00 0.00 H new ATOM 0 HA ILE A 64 0.432 -4.517 4.019 1.00 0.00 H new ATOM 0 HB ILE A 64 1.828 -4.021 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.636 -4.523 0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.221 -2.899 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.553 -6.221 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.451 -6.339 2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.031 -6.406 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.643 -3.358 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.981 -3.101 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.560 -4.750 -0.773 1.00 0.00 H new ATOM 948 N GLY A 65 1.207 -1.992 3.528 1.00 0.00 N ATOM 949 CA GLY A 65 1.345 -0.557 3.691 1.00 0.00 C ATOM 950 C GLY A 65 1.669 0.146 2.388 1.00 0.00 C ATOM 951 O GLY A 65 1.611 -0.458 1.316 1.00 0.00 O ATOM 0 H GLY A 65 2.077 -2.518 3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.420 -0.150 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.132 -0.351 4.417 1.00 0.00 H new ATOM 955 N PHE A 66 2.011 1.427 2.478 1.00 0.00 N ATOM 956 CA PHE A 66 2.344 2.214 1.296 1.00 0.00 C ATOM 957 C PHE A 66 3.009 3.530 1.689 1.00 0.00 C ATOM 958 O PHE A 66 3.027 3.904 2.862 1.00 0.00 O ATOM 959 CB PHE A 66 1.085 2.493 0.472 1.00 0.00 C ATOM 960 CG PHE A 66 -0.119 2.821 1.308 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.290 4.093 1.830 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.079 1.858 1.570 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.396 4.397 2.601 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.188 2.156 2.340 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.347 3.428 2.854 1.00 0.00 C ATOM 0 H PHE A 66 2.065 1.942 3.357 1.00 0.00 H new ATOM 0 HA PHE A 66 3.045 1.638 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.282 3.322 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.863 1.621 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.449 4.855 1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.960 0.863 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.516 5.391 3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.929 1.396 2.539 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.214 3.665 3.453 1.00 0.00 H new ATOM 975 N VAL A 67 3.557 4.228 0.699 1.00 0.00 N ATOM 976 CA VAL A 67 4.224 5.502 0.940 1.00 0.00 C ATOM 977 C VAL A 67 3.914 6.502 -0.169 1.00 0.00 C ATOM 978 O VAL A 67 4.163 6.237 -1.344 1.00 0.00 O ATOM 979 CB VAL A 67 5.750 5.326 1.046 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.429 6.670 1.264 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.097 4.356 2.165 1.00 0.00 C ATOM 0 H VAL A 67 3.552 3.933 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 67 3.844 5.884 1.887 1.00 0.00 H new ATOM 0 HB VAL A 67 6.117 4.909 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.507 6.526 1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.207 7.330 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.060 7.119 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.179 4.243 2.226 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.718 4.742 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.642 3.387 1.960 1.00 0.00 H new ATOM 991 N GLU A 68 3.371 7.653 0.214 1.00 0.00 N ATOM 992 CA GLU A 68 3.027 8.693 -0.748 1.00 0.00 C ATOM 993 C GLU A 68 4.228 9.593 -1.029 1.00 0.00 C ATOM 994 O GLU A 68 4.844 10.128 -0.108 1.00 0.00 O ATOM 995 CB GLU A 68 1.857 9.532 -0.230 1.00 0.00 C ATOM 996 CG GLU A 68 1.638 10.817 -1.011 1.00 0.00 C ATOM 997 CD GLU A 68 0.391 11.561 -0.571 1.00 0.00 C ATOM 998 OE1 GLU A 68 0.469 12.314 0.422 1.00 0.00 O ATOM 999 OE2 GLU A 68 -0.662 11.390 -1.220 1.00 0.00 O ATOM 0 H GLU A 68 3.160 7.889 1.184 1.00 0.00 H new ATOM 0 HA GLU A 68 2.732 8.208 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.947 8.934 -0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.033 9.778 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.506 11.465 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.562 10.584 -2.073 1.00 0.00 H new ATOM 1006 N GLU A 69 4.553 9.753 -2.308 1.00 0.00 N ATOM 1007 CA GLU A 69 5.681 10.586 -2.710 1.00 0.00 C ATOM 1008 C GLU A 69 5.499 11.095 -4.137 1.00 0.00 C ATOM 1009 O GLU A 69 5.328 10.311 -5.071 1.00 0.00 O ATOM 1010 CB GLU A 69 6.989 9.801 -2.599 1.00 0.00 C ATOM 1011 CG GLU A 69 8.193 10.541 -3.157 1.00 0.00 C ATOM 1012 CD GLU A 69 9.497 10.093 -2.528 1.00 0.00 C ATOM 1013 OE1 GLU A 69 9.501 9.807 -1.312 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.514 10.027 -3.250 1.00 0.00 O ATOM 0 H GLU A 69 4.052 9.318 -3.083 1.00 0.00 H new ATOM 0 HA GLU A 69 5.724 11.444 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.173 9.564 -1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.880 8.853 -3.126 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.242 10.386 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.064 11.611 -2.994 1.00 0.00 H new ATOM 1021 N LYS A 70 5.538 12.413 -4.298 1.00 0.00 N ATOM 1022 CA LYS A 70 5.379 13.029 -5.610 1.00 0.00 C ATOM 1023 C LYS A 70 4.109 12.534 -6.293 1.00 0.00 C ATOM 1024 O LYS A 70 4.074 12.361 -7.511 1.00 0.00 O ATOM 1025 CB LYS A 70 6.595 12.727 -6.489 1.00 0.00 C ATOM 1026 CG LYS A 70 7.893 13.306 -5.952 1.00 0.00 C ATOM 1027 CD LYS A 70 8.986 13.295 -7.007 1.00 0.00 C ATOM 1028 CE LYS A 70 10.364 13.463 -6.384 1.00 0.00 C ATOM 1029 NZ LYS A 70 10.592 14.856 -5.910 1.00 0.00 N ATOM 0 H LYS A 70 5.678 13.076 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 70 5.298 14.107 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.702 11.647 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.417 13.122 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.724 14.328 -5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.217 12.731 -5.084 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.948 12.358 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.809 14.097 -7.724 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.471 12.773 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.128 13.199 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.542 14.929 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.515 15.513 -6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.879 15.100 -5.194 1.00 0.00 H new ATOM 1043 N GLY A 71 3.065 12.309 -5.501 1.00 0.00 N ATOM 1044 CA GLY A 71 1.806 11.837 -6.048 1.00 0.00 C ATOM 1045 C GLY A 71 1.872 10.388 -6.486 1.00 0.00 C ATOM 1046 O GLY A 71 1.379 10.033 -7.556 1.00 0.00 O ATOM 0 H GLY A 71 3.069 12.445 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.022 11.952 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.527 12.458 -6.899 1.00 0.00 H new ATOM 1050 N ALA A 72 2.483 9.548 -5.657 1.00 0.00 N ATOM 1051 CA ALA A 72 2.610 8.129 -5.964 1.00 0.00 C ATOM 1052 C ALA A 72 2.738 7.300 -4.690 1.00 0.00 C ATOM 1053 O ALA A 72 3.573 7.587 -3.832 1.00 0.00 O ATOM 1054 CB ALA A 72 3.808 7.891 -6.872 1.00 0.00 C ATOM 0 H ALA A 72 2.898 9.826 -4.768 1.00 0.00 H new ATOM 0 HA ALA A 72 1.705 7.813 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.891 6.827 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.676 8.446 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.716 8.230 -6.373 1.00 0.00 H new ATOM 1060 N LEU A 73 1.904 6.272 -4.573 1.00 0.00 N ATOM 1061 CA LEU A 73 1.923 5.402 -3.402 1.00 0.00 C ATOM 1062 C LEU A 73 2.744 4.145 -3.671 1.00 0.00 C ATOM 1063 O LEU A 73 2.464 3.398 -4.609 1.00 0.00 O ATOM 1064 CB LEU A 73 0.497 5.018 -3.005 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.457 6.179 -2.721 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.848 5.660 -2.393 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.075 7.041 -1.585 1.00 0.00 C ATOM 0 H LEU A 73 1.207 6.021 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 73 2.388 5.948 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.070 4.410 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.546 4.389 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.525 6.796 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.512 6.501 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.231 5.087 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.799 5.020 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.617 7.862 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.173 6.435 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.050 7.444 -1.860 1.00 0.00 H new ATOM 1079 N TYR A 74 3.756 3.917 -2.842 1.00 0.00 N ATOM 1080 CA TYR A 74 4.618 2.751 -2.991 1.00 0.00 C ATOM 1081 C TYR A 74 4.500 1.829 -1.781 1.00 0.00 C ATOM 1082 O TYR A 74 4.656 2.261 -0.638 1.00 0.00 O ATOM 1083 CB TYR A 74 6.073 3.186 -3.174 1.00 0.00 C ATOM 1084 CG TYR A 74 6.277 4.145 -4.325 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.364 3.684 -5.633 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.386 5.513 -4.104 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.551 4.557 -6.687 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.571 6.393 -5.152 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.654 5.910 -6.442 1.00 0.00 C ATOM 1090 OH TYR A 74 6.840 6.784 -7.489 1.00 0.00 O ATOM 0 H TYR A 74 4.000 4.524 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 74 4.295 2.203 -3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.422 3.656 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.690 2.302 -3.334 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.284 2.625 -5.829 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.325 5.894 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.616 4.182 -7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.650 7.453 -4.963 1.00 0.00 H new ATOM 0 HH TYR A 74 6.891 7.700 -7.145 1.00 0.00 H new ATOM 1100 N CYS A 75 4.224 0.555 -2.041 1.00 0.00 N ATOM 1101 CA CYS A 75 4.085 -0.431 -0.975 1.00 0.00 C ATOM 1102 C CYS A 75 5.404 -0.616 -0.230 1.00 0.00 C ATOM 1103 O CYS A 75 6.473 -0.647 -0.839 1.00 0.00 O ATOM 1104 CB CYS A 75 3.618 -1.770 -1.549 1.00 0.00 C ATOM 1105 SG CYS A 75 4.816 -2.555 -2.674 1.00 0.00 S ATOM 0 H CYS A 75 4.092 0.181 -2.981 1.00 0.00 H new ATOM 0 HA CYS A 75 3.338 -0.065 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.408 -2.453 -0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.680 -1.617 -2.083 1.00 0.00 H new ATOM 1110 N GLU A 76 5.318 -0.739 1.091 1.00 0.00 N ATOM 1111 CA GLU A 76 6.505 -0.921 1.919 1.00 0.00 C ATOM 1112 C GLU A 76 7.572 -1.717 1.173 1.00 0.00 C ATOM 1113 O GLU A 76 8.761 -1.403 1.245 1.00 0.00 O ATOM 1114 CB GLU A 76 6.140 -1.633 3.223 1.00 0.00 C ATOM 1115 CG GLU A 76 5.564 -3.023 3.016 1.00 0.00 C ATOM 1116 CD GLU A 76 5.290 -3.742 4.323 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.104 -3.599 5.260 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.263 -4.446 4.410 1.00 0.00 O ATOM 0 H GLU A 76 4.440 -0.716 1.610 1.00 0.00 H new ATOM 0 HA GLU A 76 6.909 0.064 2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.030 -1.707 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.417 -1.027 3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.638 -2.947 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.258 -3.615 2.419 1.00 0.00 H new ATOM 1125 N LEU A 77 7.139 -2.749 0.457 1.00 0.00 N ATOM 1126 CA LEU A 77 8.056 -3.591 -0.303 1.00 0.00 C ATOM 1127 C LEU A 77 8.883 -2.757 -1.276 1.00 0.00 C ATOM 1128 O LEU A 77 10.112 -2.748 -1.214 1.00 0.00 O ATOM 1129 CB LEU A 77 7.279 -4.666 -1.066 1.00 0.00 C ATOM 1130 CG LEU A 77 6.447 -5.625 -0.214 1.00 0.00 C ATOM 1131 CD1 LEU A 77 4.998 -5.167 -0.156 1.00 0.00 C ATOM 1132 CD2 LEU A 77 6.539 -7.041 -0.763 1.00 0.00 C ATOM 0 H LEU A 77 6.159 -3.023 0.387 1.00 0.00 H new ATOM 0 HA LEU A 77 8.735 -4.073 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.614 -4.172 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.988 -5.253 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 77 6.848 -5.622 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.421 -5.862 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.949 -4.171 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.584 -5.140 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.941 -7.711 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.164 -7.060 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.579 -7.369 -0.752 1.00 0.00 H new ATOM 1144 N CYS A 78 8.199 -2.056 -2.175 1.00 0.00 N ATOM 1145 CA CYS A 78 8.869 -1.217 -3.161 1.00 0.00 C ATOM 1146 C CYS A 78 9.744 -0.169 -2.479 1.00 0.00 C ATOM 1147 O CYS A 78 10.896 0.038 -2.861 1.00 0.00 O ATOM 1148 CB CYS A 78 7.840 -0.530 -4.060 1.00 0.00 C ATOM 1149 SG CYS A 78 7.013 -1.651 -5.235 1.00 0.00 S ATOM 0 H CYS A 78 7.181 -2.053 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 78 9.507 -1.856 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.085 -0.056 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.334 0.264 -4.619 1.00 0.00 H new ATOM 1154 N TYR A 79 9.189 0.489 -1.467 1.00 0.00 N ATOM 1155 CA TYR A 79 9.917 1.517 -0.733 1.00 0.00 C ATOM 1156 C TYR A 79 11.184 0.944 -0.105 1.00 0.00 C ATOM 1157 O TYR A 79 12.296 1.299 -0.493 1.00 0.00 O ATOM 1158 CB TYR A 79 9.027 2.125 0.353 1.00 0.00 C ATOM 1159 CG TYR A 79 9.690 3.245 1.122 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.793 3.002 1.930 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.213 4.548 1.040 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.401 4.022 2.636 1.00 0.00 C ATOM 1163 CE2 TYR A 79 9.816 5.575 1.741 1.00 0.00 C ATOM 1164 CZ TYR A 79 10.909 5.307 2.538 1.00 0.00 C ATOM 1165 OH TYR A 79 11.513 6.326 3.237 1.00 0.00 O ATOM 0 H TYR A 79 8.237 0.329 -1.136 1.00 0.00 H new ATOM 0 HA TYR A 79 10.203 2.297 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.113 2.502 -0.107 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.733 1.341 1.051 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.182 1.998 2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.356 4.761 0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.257 3.814 3.261 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.433 6.582 1.665 1.00 0.00 H new ATOM 0 HH TYR A 79 12.142 6.797 2.651 1.00 0.00 H new ATOM 1175 N GLU A 80 11.005 0.056 0.868 1.00 0.00 N ATOM 1176 CA GLU A 80 12.134 -0.567 1.550 1.00 0.00 C ATOM 1177 C GLU A 80 13.125 -1.146 0.544 1.00 0.00 C ATOM 1178 O GLU A 80 14.322 -1.238 0.817 1.00 0.00 O ATOM 1179 CB GLU A 80 11.644 -1.668 2.493 1.00 0.00 C ATOM 1180 CG GLU A 80 12.706 -2.153 3.465 1.00 0.00 C ATOM 1181 CD GLU A 80 12.161 -3.140 4.479 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.229 -2.773 5.224 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.668 -4.281 4.527 1.00 0.00 O ATOM 0 H GLU A 80 10.090 -0.248 1.202 1.00 0.00 H new ATOM 0 HA GLU A 80 12.642 0.201 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.789 -1.297 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.293 -2.513 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.517 -2.621 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.132 -1.297 3.989 1.00 0.00 H new ATOM 1190 N LYS A 81 12.617 -1.537 -0.620 1.00 0.00 N ATOM 1191 CA LYS A 81 13.455 -2.108 -1.668 1.00 0.00 C ATOM 1192 C LYS A 81 14.423 -1.065 -2.218 1.00 0.00 C ATOM 1193 O LYS A 81 15.634 -1.286 -2.256 1.00 0.00 O ATOM 1194 CB LYS A 81 12.586 -2.660 -2.800 1.00 0.00 C ATOM 1195 CG LYS A 81 12.194 -4.115 -2.611 1.00 0.00 C ATOM 1196 CD LYS A 81 10.974 -4.477 -3.442 1.00 0.00 C ATOM 1197 CE LYS A 81 10.692 -5.971 -3.398 1.00 0.00 C ATOM 1198 NZ LYS A 81 10.087 -6.382 -2.101 1.00 0.00 N ATOM 0 H LYS A 81 11.628 -1.469 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 81 14.034 -2.922 -1.233 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.682 -2.056 -2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.123 -2.557 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.029 -4.757 -2.891 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.986 -4.303 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.106 -3.931 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.131 -4.166 -4.475 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.020 -6.238 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.620 -6.521 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.677 -7.116 -1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.029 -5.558 -1.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.132 -6.759 -2.267 1.00 0.00 H new ATOM 1212 N PHE A 82 13.882 0.072 -2.642 1.00 0.00 N ATOM 1213 CA PHE A 82 14.699 1.149 -3.190 1.00 0.00 C ATOM 1214 C PHE A 82 15.194 2.074 -2.082 1.00 0.00 C ATOM 1215 O PHE A 82 16.398 2.231 -1.881 1.00 0.00 O ATOM 1216 CB PHE A 82 13.899 1.951 -4.220 1.00 0.00 C ATOM 1217 CG PHE A 82 13.393 1.120 -5.364 1.00 0.00 C ATOM 1218 CD1 PHE A 82 14.267 0.630 -6.321 1.00 0.00 C ATOM 1219 CD2 PHE A 82 12.043 0.830 -5.482 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.803 -0.134 -7.375 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.574 0.066 -6.535 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.455 -0.417 -7.482 1.00 0.00 C ATOM 0 H PHE A 82 12.882 0.272 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 82 15.564 0.702 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.052 2.424 -3.722 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.526 2.752 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.322 0.847 -6.242 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.350 1.205 -4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.494 -0.510 -8.115 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.520 -0.153 -6.617 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.091 -1.015 -8.305 1.00 0.00 H new ATOM 1232 N PHE A 83 14.255 2.685 -1.366 1.00 0.00 N ATOM 1233 CA PHE A 83 14.594 3.596 -0.279 1.00 0.00 C ATOM 1234 C PHE A 83 15.571 2.941 0.694 1.00 0.00 C ATOM 1235 O PHE A 83 16.677 3.436 0.907 1.00 0.00 O ATOM 1236 CB PHE A 83 13.330 4.030 0.465 1.00 0.00 C ATOM 1237 CG PHE A 83 12.607 5.169 -0.196 1.00 0.00 C ATOM 1238 CD1 PHE A 83 12.919 6.481 0.122 1.00 0.00 C ATOM 1239 CD2 PHE A 83 11.617 4.928 -1.135 1.00 0.00 C ATOM 1240 CE1 PHE A 83 12.255 7.531 -0.484 1.00 0.00 C ATOM 1241 CE2 PHE A 83 10.950 5.974 -1.744 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.270 7.277 -1.419 1.00 0.00 C ATOM 0 H PHE A 83 13.254 2.566 -1.519 1.00 0.00 H new ATOM 0 HA PHE A 83 15.072 4.475 -0.711 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.654 3.178 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.598 4.321 1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.689 6.685 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.364 3.911 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.506 8.549 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.179 5.772 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.751 8.096 -1.895 1.00 0.00 H new ATOM 1252 N ALA A 84 15.152 1.826 1.283 1.00 0.00 N ATOM 1253 CA ALA A 84 15.988 1.102 2.232 1.00 0.00 C ATOM 1254 C ALA A 84 16.879 0.091 1.519 1.00 0.00 C ATOM 1255 O ALA A 84 17.018 -1.049 1.962 1.00 0.00 O ATOM 1256 CB ALA A 84 15.124 0.406 3.273 1.00 0.00 C ATOM 0 H ALA A 84 14.238 1.404 1.119 1.00 0.00 H new ATOM 0 HA ALA A 84 16.632 1.823 2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.762 -0.131 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.535 1.148 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.455 -0.299 2.779 1.00 0.00 H new ATOM 1262 N SER A 85 17.480 0.516 0.412 1.00 0.00 N ATOM 1263 CA SER A 85 18.355 -0.355 -0.365 1.00 0.00 C ATOM 1264 C SER A 85 19.763 -0.374 0.221 1.00 0.00 C ATOM 1265 O SER A 85 20.440 0.653 0.274 1.00 0.00 O ATOM 1266 CB SER A 85 18.403 0.106 -1.823 1.00 0.00 C ATOM 1267 OG SER A 85 19.134 -0.808 -2.622 1.00 0.00 O ATOM 0 H SER A 85 17.377 1.457 0.033 1.00 0.00 H new ATOM 0 HA SER A 85 17.950 -1.366 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.389 0.203 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.862 1.093 -1.881 1.00 0.00 H new ATOM 0 HG SER A 85 19.149 -0.492 -3.550 1.00 0.00 H new ATOM 1273 N GLY A 86 20.199 -1.550 0.662 1.00 0.00 N ATOM 1274 CA GLY A 86 21.524 -1.682 1.238 1.00 0.00 C ATOM 1275 C GLY A 86 22.449 -2.523 0.381 1.00 0.00 C ATOM 1276 O GLY A 86 22.736 -3.679 0.689 1.00 0.00 O ATOM 0 H GLY A 86 19.658 -2.414 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 86 21.959 -0.691 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 86 21.443 -2.131 2.228 1.00 0.00 H new ATOM 1280 N PRO A 87 22.931 -1.937 -0.726 1.00 0.00 N ATOM 1281 CA PRO A 87 23.834 -2.623 -1.655 1.00 0.00 C ATOM 1282 C PRO A 87 25.218 -2.851 -1.055 1.00 0.00 C ATOM 1283 O PRO A 87 25.666 -2.090 -0.197 1.00 0.00 O ATOM 1284 CB PRO A 87 23.919 -1.661 -2.842 1.00 0.00 C ATOM 1285 CG PRO A 87 23.614 -0.321 -2.267 1.00 0.00 C ATOM 1286 CD PRO A 87 22.630 -0.561 -1.156 1.00 0.00 C ATOM 0 HA PRO A 87 23.470 -3.616 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 87 24.909 -1.680 -3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 87 23.205 -1.929 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 87 24.518 0.157 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 87 23.194 0.342 -3.024 1.00 0.00 H new ATOM 0 HD2 PRO A 87 22.761 0.152 -0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 87 21.601 -0.464 -1.502 1.00 0.00 H new ATOM 1294 N SER A 88 25.889 -3.903 -1.511 1.00 0.00 N ATOM 1295 CA SER A 88 27.221 -4.233 -1.017 1.00 0.00 C ATOM 1296 C SER A 88 28.297 -3.554 -1.859 1.00 0.00 C ATOM 1297 O SER A 88 28.798 -4.127 -2.826 1.00 0.00 O ATOM 1298 CB SER A 88 27.431 -5.749 -1.027 1.00 0.00 C ATOM 1299 OG SER A 88 27.134 -6.296 -2.300 1.00 0.00 O ATOM 0 H SER A 88 25.533 -4.542 -2.222 1.00 0.00 H new ATOM 0 HA SER A 88 27.302 -3.869 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.463 -5.978 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 88 26.796 -6.212 -0.271 1.00 0.00 H new ATOM 0 HG SER A 88 27.634 -5.811 -2.989 1.00 0.00 H new ATOM 1305 N SER A 89 28.647 -2.328 -1.483 1.00 0.00 N ATOM 1306 CA SER A 89 29.661 -1.568 -2.205 1.00 0.00 C ATOM 1307 C SER A 89 30.978 -1.552 -1.436 1.00 0.00 C ATOM 1308 O SER A 89 31.034 -1.116 -0.287 1.00 0.00 O ATOM 1309 CB SER A 89 29.180 -0.135 -2.445 1.00 0.00 C ATOM 1310 OG SER A 89 28.154 -0.098 -3.422 1.00 0.00 O ATOM 0 H SER A 89 28.244 -1.840 -0.683 1.00 0.00 H new ATOM 0 HA SER A 89 29.828 -2.054 -3.166 1.00 0.00 H new ATOM 0 HB2 SER A 89 28.812 0.290 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 89 30.017 0.483 -2.769 1.00 0.00 H new ATOM 0 HG SER A 89 27.863 0.828 -3.556 1.00 0.00 H new ATOM 1316 N GLY A 90 32.038 -2.032 -2.080 1.00 0.00 N ATOM 1317 CA GLY A 90 33.341 -2.065 -1.442 1.00 0.00 C ATOM 1318 C GLY A 90 33.866 -0.679 -1.124 1.00 0.00 C ATOM 1319 O GLY A 90 34.048 -0.362 0.050 1.00 0.00 O ATOM 0 H GLY A 90 32.017 -2.398 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 90 33.277 -2.646 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 90 34.048 -2.577 -2.094 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.791 4.564 -7.388 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.719 -1.801 -4.872 1.00 0.00 ZN