USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= 0.144 X(o=4.8,f=4.8) USER MOD Set 1.2: A 33 TYR OH : rot 13:sc= 2.26 USER MOD Set 1.3: A 70 LYS NZ :NH3+ -166:sc= 2.42 (180deg=1.11) USER MOD Set 2.1: A 1 ALA N :NH3+ 139:sc= 0.399! (180deg=-0.203) USER MOD Set 2.2: A 56 HIS : no HE2:sc= 0.39 K(o=0.79,f=-12!) USER MOD Set 3.1: A 12 LYS NZ :NH3+ -179:sc= 3.05 (180deg=1.97) USER MOD Set 3.2: A 15 SER OG : rot 83:sc= 2.13 USER MOD Single : A 2 TYR OH : rot -95:sc= 1.26 USER MOD Single : A 5 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 11 THR OG1 : rot 83:sc= 0.909 USER MOD Single : A 24 CYS SG : rot -43:sc= 0.452 USER MOD Single : A 26 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-5.2!) USER MOD Single : A 32 TYR OH : rot 62:sc= 1.26 USER MOD Single : A 52 SER OG : rot -61:sc= 1.16 USER MOD Single : A 55 TYR OH : rot 77:sc= 1.27 USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= 3.61 (180deg=3.19) USER MOD Single : A 66 SER OG : rot 108:sc= 1.25 USER MOD Single : A 67 TYR OH : rot 174:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.1! C(o=-2.1!,f=-4.4!) USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= 0.457! (180deg=-1.43!) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 1.88 (180deg=1.73) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.233 -4.255 9.381 1.00 0.00 N ATOM 2 CA ALA A 1 -1.232 -3.759 8.420 1.00 0.00 C ATOM 3 C ALA A 1 -1.912 -3.271 7.140 1.00 0.00 C ATOM 4 O ALA A 1 -2.751 -3.993 6.603 1.00 0.00 O ATOM 5 CB ALA A 1 -0.239 -2.759 8.996 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.878 -5.120 9.836 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.408 -3.530 10.105 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.120 -4.466 8.881 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.603 -4.611 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.459 -2.449 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.776 -1.887 9.370 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.312 -3.223 9.814 1.00 0.00 H new ATOM 12 N TYR A 2 -1.583 -2.067 6.659 1.00 0.00 N ATOM 13 CA TYR A 2 -2.206 -1.489 5.477 1.00 0.00 C ATOM 14 C TYR A 2 -1.408 -1.883 4.240 1.00 0.00 C ATOM 15 O TYR A 2 -0.184 -1.962 4.304 1.00 0.00 O ATOM 16 CB TYR A 2 -2.306 0.026 5.639 1.00 0.00 C ATOM 17 CG TYR A 2 -3.394 0.455 6.604 1.00 0.00 C ATOM 18 CD1 TYR A 2 -4.744 0.360 6.216 1.00 0.00 C ATOM 19 CD2 TYR A 2 -3.066 1.002 7.857 1.00 0.00 C ATOM 20 CE1 TYR A 2 -5.751 0.893 7.038 1.00 0.00 C ATOM 21 CE2 TYR A 2 -4.070 1.582 8.654 1.00 0.00 C ATOM 22 CZ TYR A 2 -5.402 1.585 8.210 1.00 0.00 C ATOM 23 OH TYR A 2 -6.317 2.394 8.810 1.00 0.00 O ATOM 0 H TYR A 2 -0.874 -1.469 7.084 1.00 0.00 H new ATOM 0 HA TYR A 2 -3.219 -1.874 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.348 0.411 5.988 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.495 0.477 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.006 -0.123 5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.045 0.977 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.790 0.771 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.816 2.024 9.606 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.189 3.316 8.504 1.00 0.00 H new ATOM 33 N VAL A 3 -2.099 -2.198 3.143 1.00 0.00 N ATOM 34 CA VAL A 3 -1.482 -2.806 1.971 1.00 0.00 C ATOM 35 C VAL A 3 -2.083 -2.247 0.686 1.00 0.00 C ATOM 36 O VAL A 3 -3.176 -1.684 0.677 1.00 0.00 O ATOM 37 CB VAL A 3 -1.621 -4.338 2.034 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.421 -4.998 1.349 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.707 -4.892 3.461 1.00 0.00 C ATOM 0 H VAL A 3 -3.102 -2.037 3.046 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.420 -2.559 1.968 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.558 -4.570 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.525 -6.082 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.379 -4.683 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.497 -4.699 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.803 -5.977 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.803 -4.626 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.575 -4.467 3.965 1.00 0.00 H new ATOM 49 N ILE A 4 -1.342 -2.384 -0.411 1.00 0.00 N ATOM 50 CA ILE A 4 -1.757 -1.888 -1.708 1.00 0.00 C ATOM 51 C ILE A 4 -2.928 -2.705 -2.259 1.00 0.00 C ATOM 52 O ILE A 4 -3.171 -3.831 -1.826 1.00 0.00 O ATOM 53 CB ILE A 4 -0.538 -1.944 -2.657 1.00 0.00 C ATOM 54 CG1 ILE A 4 -0.571 -0.852 -3.742 1.00 0.00 C ATOM 55 CG2 ILE A 4 -0.413 -3.295 -3.352 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.396 0.558 -3.174 1.00 0.00 C ATOM 0 H ILE A 4 -0.433 -2.846 -0.418 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.106 -0.859 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 4 0.323 -1.777 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.218 -1.046 -4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.519 -0.907 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.457 -3.287 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.297 -4.079 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.310 -3.485 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.428 1.284 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.199 0.768 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.564 0.628 -2.663 1.00 0.00 H new ATOM 68 N THR A 5 -3.585 -2.166 -3.287 1.00 0.00 N ATOM 69 CA THR A 5 -4.323 -2.962 -4.252 1.00 0.00 C ATOM 70 C THR A 5 -3.819 -2.637 -5.661 1.00 0.00 C ATOM 71 O THR A 5 -2.806 -3.164 -6.118 1.00 0.00 O ATOM 72 CB THR A 5 -5.834 -2.710 -4.107 1.00 0.00 C ATOM 73 OG1 THR A 5 -6.102 -1.320 -4.067 1.00 0.00 O ATOM 74 CG2 THR A 5 -6.391 -3.378 -2.857 1.00 0.00 C ATOM 0 H THR A 5 -3.617 -1.163 -3.469 1.00 0.00 H new ATOM 0 HA THR A 5 -4.157 -4.023 -4.067 1.00 0.00 H new ATOM 0 HB THR A 5 -6.326 -3.147 -4.976 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.810 -0.955 -3.206 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.460 -3.180 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.224 -4.454 -2.914 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.888 -2.979 -1.976 1.00 0.00 H new ATOM 82 N GLU A 6 -4.574 -1.783 -6.348 1.00 0.00 N ATOM 83 CA GLU A 6 -4.764 -1.877 -7.786 1.00 0.00 C ATOM 84 C GLU A 6 -5.045 -0.487 -8.382 1.00 0.00 C ATOM 85 O GLU A 6 -4.212 -0.006 -9.148 1.00 0.00 O ATOM 86 CB GLU A 6 -5.795 -2.975 -8.063 1.00 0.00 C ATOM 87 CG GLU A 6 -6.200 -3.164 -9.530 1.00 0.00 C ATOM 88 CD GLU A 6 -5.642 -4.474 -10.082 1.00 0.00 C ATOM 89 OE1 GLU A 6 -4.399 -4.550 -10.184 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.444 -5.399 -10.332 1.00 0.00 O ATOM 0 H GLU A 6 -5.072 -1.004 -5.917 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.861 -2.190 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.398 -3.920 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.693 -2.757 -7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.287 -3.162 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.832 -2.328 -10.124 1.00 0.00 H new ATOM 97 N PRO A 7 -6.142 0.212 -8.022 1.00 0.00 N ATOM 98 CA PRO A 7 -6.432 1.541 -8.560 1.00 0.00 C ATOM 99 C PRO A 7 -5.277 2.553 -8.498 1.00 0.00 C ATOM 100 O PRO A 7 -5.273 3.507 -9.271 1.00 0.00 O ATOM 101 CB PRO A 7 -7.678 2.061 -7.835 1.00 0.00 C ATOM 102 CG PRO A 7 -8.171 0.918 -6.946 1.00 0.00 C ATOM 103 CD PRO A 7 -7.294 -0.286 -7.283 1.00 0.00 C ATOM 0 HA PRO A 7 -6.598 1.432 -9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.441 2.942 -7.238 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -8.447 2.357 -8.549 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.086 1.180 -5.891 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.222 0.701 -7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.976 -0.797 -6.374 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.849 -1.011 -7.879 1.00 0.00 H new ATOM 111 N CYS A 8 -4.304 2.361 -7.599 1.00 0.00 N ATOM 112 CA CYS A 8 -3.078 3.150 -7.555 1.00 0.00 C ATOM 113 C CYS A 8 -2.368 3.207 -8.915 1.00 0.00 C ATOM 114 O CYS A 8 -1.893 4.269 -9.324 1.00 0.00 O ATOM 115 CB CYS A 8 -2.133 2.529 -6.554 1.00 0.00 C ATOM 116 SG CYS A 8 -0.484 3.286 -6.532 1.00 0.00 S ATOM 0 H CYS A 8 -4.351 1.644 -6.875 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.353 4.166 -7.274 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.571 2.607 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.031 1.467 -6.776 1.00 0.00 H new ATOM 121 N ILE A 9 -2.234 2.036 -9.554 1.00 0.00 N ATOM 122 CA ILE A 9 -1.119 1.669 -10.419 1.00 0.00 C ATOM 123 C ILE A 9 -0.556 2.847 -11.225 1.00 0.00 C ATOM 124 O ILE A 9 -1.265 3.473 -12.010 1.00 0.00 O ATOM 125 CB ILE A 9 -1.495 0.424 -11.243 1.00 0.00 C ATOM 126 CG1 ILE A 9 -1.360 -0.812 -10.333 1.00 0.00 C ATOM 127 CG2 ILE A 9 -0.584 0.228 -12.466 1.00 0.00 C ATOM 128 CD1 ILE A 9 -2.153 -2.024 -10.808 1.00 0.00 C ATOM 0 H ILE A 9 -2.930 1.294 -9.475 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.267 1.389 -9.799 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.514 0.557 -11.607 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.307 -1.085 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.688 -0.547 -9.328 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.893 -0.664 -13.011 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.660 1.097 -13.119 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.448 0.111 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.005 -2.851 -10.113 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.213 -1.772 -10.851 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.810 -2.317 -11.800 1.00 0.00 H new ATOM 140 N GLY A 10 0.719 3.169 -10.984 1.00 0.00 N ATOM 141 CA GLY A 10 1.442 4.204 -11.710 1.00 0.00 C ATOM 142 C GLY A 10 1.280 5.605 -11.117 1.00 0.00 C ATOM 143 O GLY A 10 2.138 6.461 -11.326 1.00 0.00 O ATOM 0 H GLY A 10 1.281 2.708 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.501 3.948 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.099 4.216 -12.744 1.00 0.00 H new ATOM 147 N THR A 11 0.193 5.878 -10.389 1.00 0.00 N ATOM 148 CA THR A 11 -0.200 7.242 -10.045 1.00 0.00 C ATOM 149 C THR A 11 0.563 7.766 -8.820 1.00 0.00 C ATOM 150 O THR A 11 -0.047 8.158 -7.826 1.00 0.00 O ATOM 151 CB THR A 11 -1.727 7.300 -9.857 1.00 0.00 C ATOM 152 OG1 THR A 11 -2.368 6.518 -10.848 1.00 0.00 O ATOM 153 CG2 THR A 11 -2.251 8.735 -9.979 1.00 0.00 C ATOM 0 H THR A 11 -0.435 5.161 -10.024 1.00 0.00 H new ATOM 0 HA THR A 11 0.071 7.907 -10.865 1.00 0.00 H new ATOM 0 HB THR A 11 -1.945 6.917 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.376 5.579 -10.569 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.332 8.740 -9.841 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.785 9.359 -9.216 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.009 9.128 -10.967 1.00 0.00 H new ATOM 161 N LYS A 12 1.902 7.805 -8.898 1.00 0.00 N ATOM 162 CA LYS A 12 2.752 8.227 -7.787 1.00 0.00 C ATOM 163 C LYS A 12 2.322 9.581 -7.230 1.00 0.00 C ATOM 164 O LYS A 12 2.504 9.834 -6.039 1.00 0.00 O ATOM 165 CB LYS A 12 4.231 8.287 -8.205 1.00 0.00 C ATOM 166 CG LYS A 12 5.176 8.285 -6.984 1.00 0.00 C ATOM 167 CD LYS A 12 6.101 9.515 -6.879 1.00 0.00 C ATOM 168 CE LYS A 12 5.425 10.851 -6.518 1.00 0.00 C ATOM 169 NZ LYS A 12 4.770 10.827 -5.193 1.00 0.00 N ATOM 0 H LYS A 12 2.421 7.544 -9.736 1.00 0.00 H new ATOM 0 HA LYS A 12 2.637 7.478 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.462 7.435 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.405 9.186 -8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.575 8.222 -6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.792 7.387 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.865 9.305 -6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.615 9.639 -7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.171 11.645 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.684 11.094 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.318 11.746 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.049 10.078 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.481 10.640 -4.458 1.00 0.00 H new ATOM 183 N ASP A 13 1.817 10.463 -8.098 1.00 0.00 N ATOM 184 CA ASP A 13 1.365 11.822 -7.832 1.00 0.00 C ATOM 185 C ASP A 13 0.610 11.946 -6.511 1.00 0.00 C ATOM 186 O ASP A 13 0.810 12.912 -5.777 1.00 0.00 O ATOM 187 CB ASP A 13 0.468 12.288 -8.989 1.00 0.00 C ATOM 188 CG ASP A 13 1.141 12.134 -10.346 1.00 0.00 C ATOM 189 OD1 ASP A 13 1.437 10.964 -10.681 1.00 0.00 O ATOM 190 OD2 ASP A 13 1.357 13.173 -11.003 1.00 0.00 O ATOM 0 H ASP A 13 1.707 10.220 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 13 2.250 12.454 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.459 11.715 -8.980 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.198 13.333 -8.837 1.00 0.00 H new ATOM 195 N ALA A 14 -0.248 10.971 -6.200 1.00 0.00 N ATOM 196 CA ALA A 14 -1.013 10.956 -4.958 1.00 0.00 C ATOM 197 C ALA A 14 -0.107 11.024 -3.717 1.00 0.00 C ATOM 198 O ALA A 14 -0.448 11.687 -2.741 1.00 0.00 O ATOM 199 CB ALA A 14 -1.913 9.727 -4.949 1.00 0.00 C ATOM 0 H ALA A 14 -0.430 10.170 -6.805 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.634 11.850 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.490 9.705 -4.025 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.593 9.768 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.301 8.827 -5.016 1.00 0.00 H new ATOM 205 N SER A 15 1.079 10.411 -3.792 1.00 0.00 N ATOM 206 CA SER A 15 2.189 10.618 -2.869 1.00 0.00 C ATOM 207 C SER A 15 1.948 10.035 -1.475 1.00 0.00 C ATOM 208 O SER A 15 1.945 10.758 -0.479 1.00 0.00 O ATOM 209 CB SER A 15 2.616 12.095 -2.849 1.00 0.00 C ATOM 210 OG SER A 15 2.995 12.508 -4.154 1.00 0.00 O ATOM 0 H SER A 15 1.295 9.734 -4.524 1.00 0.00 H new ATOM 0 HA SER A 15 3.032 10.043 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.796 12.714 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.448 12.232 -2.159 1.00 0.00 H new ATOM 0 HG SER A 15 2.195 12.747 -4.667 1.00 0.00 H new ATOM 216 N CYS A 16 1.835 8.705 -1.417 1.00 0.00 N ATOM 217 CA CYS A 16 2.014 7.937 -0.191 1.00 0.00 C ATOM 218 C CYS A 16 3.512 7.788 0.109 1.00 0.00 C ATOM 219 O CYS A 16 3.935 8.032 1.236 1.00 0.00 O ATOM 220 CB CYS A 16 1.331 6.588 -0.268 1.00 0.00 C ATOM 221 SG CYS A 16 1.705 5.549 -1.699 1.00 0.00 S ATOM 0 H CYS A 16 1.614 8.130 -2.230 1.00 0.00 H new ATOM 0 HA CYS A 16 1.541 8.479 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.588 6.028 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.254 6.754 -0.244 1.00 0.00 H new ATOM 226 N VAL A 17 4.310 7.377 -0.885 1.00 0.00 N ATOM 227 CA VAL A 17 5.701 6.948 -0.712 1.00 0.00 C ATOM 228 C VAL A 17 6.521 7.832 0.238 1.00 0.00 C ATOM 229 O VAL A 17 7.289 7.334 1.056 1.00 0.00 O ATOM 230 CB VAL A 17 6.396 6.705 -2.069 1.00 0.00 C ATOM 231 CG1 VAL A 17 5.602 5.751 -2.975 1.00 0.00 C ATOM 232 CG2 VAL A 17 6.682 7.980 -2.867 1.00 0.00 C ATOM 0 H VAL A 17 3.997 7.333 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 17 5.653 5.987 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 17 7.347 6.255 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.135 5.615 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.490 4.787 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.617 6.174 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.171 7.720 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.745 8.496 -3.077 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.334 8.633 -2.287 1.00 0.00 H new ATOM 242 N GLU A 18 6.342 9.148 0.152 1.00 0.00 N ATOM 243 CA GLU A 18 7.091 10.129 0.910 1.00 0.00 C ATOM 244 C GLU A 18 6.845 10.045 2.426 1.00 0.00 C ATOM 245 O GLU A 18 7.688 10.501 3.196 1.00 0.00 O ATOM 246 CB GLU A 18 6.737 11.531 0.383 1.00 0.00 C ATOM 247 CG GLU A 18 7.122 11.760 -1.093 1.00 0.00 C ATOM 248 CD GLU A 18 6.177 11.158 -2.128 1.00 0.00 C ATOM 249 OE1 GLU A 18 5.138 10.581 -1.741 1.00 0.00 O ATOM 250 OE2 GLU A 18 6.499 11.261 -3.331 1.00 0.00 O ATOM 0 H GLU A 18 5.649 9.567 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 18 8.151 9.920 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.665 11.691 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.239 12.277 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.187 12.834 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.118 11.349 -1.257 1.00 0.00 H new ATOM 257 N VAL A 19 5.677 9.560 2.871 1.00 0.00 N ATOM 258 CA VAL A 19 5.170 9.898 4.202 1.00 0.00 C ATOM 259 C VAL A 19 5.531 8.903 5.314 1.00 0.00 C ATOM 260 O VAL A 19 5.427 9.257 6.487 1.00 0.00 O ATOM 261 CB VAL A 19 3.652 10.193 4.164 1.00 0.00 C ATOM 262 CG1 VAL A 19 3.291 11.128 2.999 1.00 0.00 C ATOM 263 CG2 VAL A 19 2.731 8.962 4.136 1.00 0.00 C ATOM 0 H VAL A 19 5.073 8.939 2.333 1.00 0.00 H new ATOM 0 HA VAL A 19 5.699 10.809 4.479 1.00 0.00 H new ATOM 0 HB VAL A 19 3.464 10.680 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.217 11.315 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.824 12.072 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.576 10.661 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 19 1.691 9.286 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.947 8.366 3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.901 8.360 5.028 1.00 0.00 H new ATOM 273 N CYS A 20 5.860 7.647 4.986 1.00 0.00 N ATOM 274 CA CYS A 20 5.760 6.556 5.956 1.00 0.00 C ATOM 275 C CYS A 20 6.713 6.709 7.161 1.00 0.00 C ATOM 276 O CYS A 20 7.930 6.691 6.972 1.00 0.00 O ATOM 277 CB CYS A 20 5.960 5.224 5.276 1.00 0.00 C ATOM 278 SG CYS A 20 5.654 3.761 6.304 1.00 0.00 S ATOM 0 H CYS A 20 6.194 7.365 4.064 1.00 0.00 H new ATOM 0 HA CYS A 20 4.751 6.603 6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.303 5.178 4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.984 5.177 4.905 1.00 0.00 H new ATOM 283 N PRO A 21 6.188 6.783 8.405 1.00 0.00 N ATOM 284 CA PRO A 21 6.961 6.751 9.646 1.00 0.00 C ATOM 285 C PRO A 21 8.096 5.729 9.677 1.00 0.00 C ATOM 286 O PRO A 21 9.108 5.971 10.330 1.00 0.00 O ATOM 287 CB PRO A 21 5.939 6.422 10.739 1.00 0.00 C ATOM 288 CG PRO A 21 4.704 7.160 10.239 1.00 0.00 C ATOM 289 CD PRO A 21 4.774 6.890 8.736 1.00 0.00 C ATOM 0 HA PRO A 21 7.464 7.709 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.767 5.349 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.259 6.777 11.719 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.787 6.772 10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.743 8.225 10.466 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.244 5.972 8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.303 7.696 8.174 1.00 0.00 H new ATOM 297 N VAL A 22 7.899 4.576 9.033 1.00 0.00 N ATOM 298 CA VAL A 22 8.860 3.483 9.020 1.00 0.00 C ATOM 299 C VAL A 22 9.243 3.124 7.580 1.00 0.00 C ATOM 300 O VAL A 22 9.471 1.950 7.289 1.00 0.00 O ATOM 301 CB VAL A 22 8.288 2.289 9.813 1.00 0.00 C ATOM 302 CG1 VAL A 22 8.218 2.619 11.310 1.00 0.00 C ATOM 303 CG2 VAL A 22 6.892 1.871 9.330 1.00 0.00 C ATOM 0 H VAL A 22 7.053 4.378 8.499 1.00 0.00 H new ATOM 0 HA VAL A 22 9.784 3.787 9.513 1.00 0.00 H new ATOM 0 HB VAL A 22 8.968 1.455 9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.812 1.765 11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.219 2.842 11.681 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.573 3.485 11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.539 1.027 9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.202 2.707 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.942 1.581 8.280 1.00 0.00 H new ATOM 313 N ASP A 23 9.276 4.111 6.672 1.00 0.00 N ATOM 314 CA ASP A 23 9.930 4.050 5.357 1.00 0.00 C ATOM 315 C ASP A 23 9.305 3.072 4.345 1.00 0.00 C ATOM 316 O ASP A 23 9.605 3.138 3.156 1.00 0.00 O ATOM 317 CB ASP A 23 11.435 3.761 5.510 1.00 0.00 C ATOM 318 CG ASP A 23 12.162 4.796 6.357 1.00 0.00 C ATOM 319 OD1 ASP A 23 12.634 5.789 5.764 1.00 0.00 O ATOM 320 OD2 ASP A 23 12.249 4.563 7.583 1.00 0.00 O ATOM 0 H ASP A 23 8.828 5.012 6.842 1.00 0.00 H new ATOM 0 HA ASP A 23 9.770 5.040 4.930 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.565 2.777 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.893 3.723 4.522 1.00 0.00 H new ATOM 325 N CYS A 24 8.485 2.122 4.795 1.00 0.00 N ATOM 326 CA CYS A 24 8.190 0.906 4.050 1.00 0.00 C ATOM 327 C CYS A 24 7.233 1.088 2.875 1.00 0.00 C ATOM 328 O CYS A 24 7.116 0.158 2.079 1.00 0.00 O ATOM 329 CB CYS A 24 7.700 -0.189 4.998 1.00 0.00 C ATOM 330 SG CYS A 24 6.005 0.161 5.503 1.00 0.00 S ATOM 0 H CYS A 24 8.005 2.179 5.693 1.00 0.00 H new ATOM 0 HA CYS A 24 9.132 0.605 3.592 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.750 -1.160 4.505 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.347 -0.242 5.873 1.00 0.00 H new ATOM 0 HG CYS A 24 5.888 1.425 5.785 1.00 0.00 H new ATOM 336 N ILE A 25 6.575 2.248 2.715 1.00 0.00 N ATOM 337 CA ILE A 25 5.921 2.523 1.438 1.00 0.00 C ATOM 338 C ILE A 25 7.034 2.716 0.399 1.00 0.00 C ATOM 339 O ILE A 25 7.585 3.808 0.282 1.00 0.00 O ATOM 340 CB ILE A 25 4.989 3.748 1.457 1.00 0.00 C ATOM 341 CG1 ILE A 25 3.853 3.684 2.486 1.00 0.00 C ATOM 342 CG2 ILE A 25 4.311 3.826 0.082 1.00 0.00 C ATOM 343 CD1 ILE A 25 3.298 5.062 2.856 1.00 0.00 C ATOM 0 H ILE A 25 6.486 2.977 3.423 1.00 0.00 H new ATOM 0 HA ILE A 25 5.270 1.682 1.198 1.00 0.00 H new ATOM 0 HB ILE A 25 5.615 4.602 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.046 3.069 2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.215 3.191 3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.640 4.684 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.070 3.935 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.741 2.914 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.498 4.948 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.094 5.673 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.906 5.548 1.963 1.00 0.00 H new ATOM 355 N HIS A 26 7.378 1.663 -0.339 1.00 0.00 N ATOM 356 CA HIS A 26 8.463 1.656 -1.297 1.00 0.00 C ATOM 357 C HIS A 26 7.915 1.499 -2.716 1.00 0.00 C ATOM 358 O HIS A 26 6.708 1.364 -2.901 1.00 0.00 O ATOM 359 CB HIS A 26 9.429 0.539 -0.903 1.00 0.00 C ATOM 360 CG HIS A 26 9.208 -0.780 -1.593 1.00 0.00 C ATOM 361 ND1 HIS A 26 10.002 -1.328 -2.576 1.00 0.00 N ATOM 362 CD2 HIS A 26 8.155 -1.626 -1.392 1.00 0.00 C ATOM 363 CE1 HIS A 26 9.449 -2.496 -2.938 1.00 0.00 C ATOM 364 NE2 HIS A 26 8.327 -2.721 -2.240 1.00 0.00 N ATOM 0 H HIS A 26 6.891 0.769 -0.280 1.00 0.00 H new ATOM 0 HA HIS A 26 9.006 2.601 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.446 0.872 -1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.357 0.383 0.173 1.00 0.00 H new ATOM 0 HD1 HIS A 26 10.855 -0.920 -2.959 1.00 0.00 H new ATOM 0 HD2 HIS A 26 7.338 -1.475 -0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.852 -3.162 -3.687 1.00 0.00 H new ATOM 372 N GLU A 27 8.793 1.489 -3.720 1.00 0.00 N ATOM 373 CA GLU A 27 8.399 1.381 -5.115 1.00 0.00 C ATOM 374 C GLU A 27 8.691 -0.021 -5.647 1.00 0.00 C ATOM 375 O GLU A 27 9.749 -0.573 -5.345 1.00 0.00 O ATOM 376 CB GLU A 27 9.139 2.443 -5.940 1.00 0.00 C ATOM 377 CG GLU A 27 9.211 3.804 -5.231 1.00 0.00 C ATOM 378 CD GLU A 27 9.651 4.896 -6.194 1.00 0.00 C ATOM 379 OE1 GLU A 27 10.848 4.879 -6.552 1.00 0.00 O ATOM 380 OE2 GLU A 27 8.780 5.713 -6.566 1.00 0.00 O ATOM 0 H GLU A 27 9.801 1.556 -3.582 1.00 0.00 H new ATOM 0 HA GLU A 27 7.326 1.553 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.150 2.094 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.638 2.565 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.235 4.053 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.909 3.747 -4.396 1.00 0.00 H new ATOM 387 N GLY A 28 7.769 -0.590 -6.434 1.00 0.00 N ATOM 388 CA GLY A 28 8.005 -1.847 -7.134 1.00 0.00 C ATOM 389 C GLY A 28 8.247 -1.592 -8.618 1.00 0.00 C ATOM 390 O GLY A 28 8.996 -0.687 -8.975 1.00 0.00 O ATOM 0 H GLY A 28 6.845 -0.190 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.866 -2.356 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.147 -2.508 -7.007 1.00 0.00 H new ATOM 394 N GLU A 29 7.630 -2.404 -9.480 1.00 0.00 N ATOM 395 CA GLU A 29 7.847 -2.388 -10.910 1.00 0.00 C ATOM 396 C GLU A 29 7.372 -1.066 -11.510 1.00 0.00 C ATOM 397 O GLU A 29 8.156 -0.299 -12.064 1.00 0.00 O ATOM 398 CB GLU A 29 7.086 -3.576 -11.520 1.00 0.00 C ATOM 399 CG GLU A 29 7.476 -4.922 -10.889 1.00 0.00 C ATOM 400 CD GLU A 29 6.518 -5.368 -9.795 1.00 0.00 C ATOM 401 OE1 GLU A 29 5.963 -4.498 -9.084 1.00 0.00 O ATOM 402 OE2 GLU A 29 6.309 -6.593 -9.675 1.00 0.00 O ATOM 0 H GLU A 29 6.950 -3.105 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 29 8.910 -2.479 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.015 -3.418 -11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.279 -3.613 -12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.510 -5.685 -11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.481 -4.844 -10.474 1.00 0.00 H new ATOM 409 N ASP A 30 6.062 -0.849 -11.408 1.00 0.00 N ATOM 410 CA ASP A 30 5.356 0.337 -11.859 1.00 0.00 C ATOM 411 C ASP A 30 4.775 1.049 -10.638 1.00 0.00 C ATOM 412 O ASP A 30 5.129 2.188 -10.333 1.00 0.00 O ATOM 413 CB ASP A 30 4.260 -0.101 -12.834 1.00 0.00 C ATOM 414 CG ASP A 30 3.432 1.095 -13.269 1.00 0.00 C ATOM 415 OD1 ASP A 30 2.522 1.445 -12.490 1.00 0.00 O ATOM 416 OD2 ASP A 30 3.727 1.634 -14.356 1.00 0.00 O ATOM 0 H ASP A 30 5.437 -1.535 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 30 6.020 1.031 -12.374 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.709 -0.578 -13.706 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.618 -0.843 -12.360 1.00 0.00 H new ATOM 421 N GLN A 31 3.889 0.341 -9.930 1.00 0.00 N ATOM 422 CA GLN A 31 3.208 0.846 -8.752 1.00 0.00 C ATOM 423 C GLN A 31 4.109 0.790 -7.516 1.00 0.00 C ATOM 424 O GLN A 31 5.258 0.337 -7.561 1.00 0.00 O ATOM 425 CB GLN A 31 1.882 0.088 -8.557 1.00 0.00 C ATOM 426 CG GLN A 31 2.069 -1.319 -7.974 1.00 0.00 C ATOM 427 CD GLN A 31 0.772 -2.120 -7.846 1.00 0.00 C ATOM 428 OE1 GLN A 31 0.671 -3.212 -8.395 1.00 0.00 O ATOM 429 NE2 GLN A 31 -0.214 -1.617 -7.106 1.00 0.00 N ATOM 0 H GLN A 31 3.626 -0.615 -10.171 1.00 0.00 H new ATOM 0 HA GLN A 31 2.972 1.900 -8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.235 0.665 -7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.370 0.011 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.764 -1.873 -8.605 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.530 -1.234 -6.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.104 -0.706 -6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.080 -2.143 -6.985 1.00 0.00 H new ATOM 438 N TYR A 32 3.546 1.226 -6.392 1.00 0.00 N ATOM 439 CA TYR A 32 4.225 1.329 -5.114 1.00 0.00 C ATOM 440 C TYR A 32 3.621 0.301 -4.166 1.00 0.00 C ATOM 441 O TYR A 32 2.484 -0.118 -4.364 1.00 0.00 O ATOM 442 CB TYR A 32 4.103 2.774 -4.602 1.00 0.00 C ATOM 443 CG TYR A 32 4.282 3.791 -5.716 1.00 0.00 C ATOM 444 CD1 TYR A 32 5.527 3.868 -6.364 1.00 0.00 C ATOM 445 CD2 TYR A 32 3.139 4.278 -6.375 1.00 0.00 C ATOM 446 CE1 TYR A 32 5.601 4.255 -7.712 1.00 0.00 C ATOM 447 CE2 TYR A 32 3.212 4.686 -7.717 1.00 0.00 C ATOM 448 CZ TYR A 32 4.434 4.614 -8.402 1.00 0.00 C ATOM 449 OH TYR A 32 4.450 4.740 -9.756 1.00 0.00 O ATOM 0 H TYR A 32 2.572 1.526 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 32 5.290 1.110 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.126 2.913 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.851 2.949 -3.828 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.431 3.629 -5.823 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.199 4.339 -5.846 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.556 4.276 -8.217 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.330 5.054 -8.220 1.00 0.00 H new ATOM 0 HH TYR A 32 4.672 3.876 -10.162 1.00 0.00 H new ATOM 459 N TYR A 33 4.400 -0.158 -3.190 1.00 0.00 N ATOM 460 CA TYR A 33 4.024 -1.228 -2.276 1.00 0.00 C ATOM 461 C TYR A 33 4.345 -0.779 -0.861 1.00 0.00 C ATOM 462 O TYR A 33 5.049 0.205 -0.653 1.00 0.00 O ATOM 463 CB TYR A 33 4.829 -2.499 -2.562 1.00 0.00 C ATOM 464 CG TYR A 33 4.626 -3.109 -3.935 1.00 0.00 C ATOM 465 CD1 TYR A 33 4.999 -2.419 -5.103 1.00 0.00 C ATOM 466 CD2 TYR A 33 4.024 -4.373 -4.046 1.00 0.00 C ATOM 467 CE1 TYR A 33 4.649 -2.929 -6.364 1.00 0.00 C ATOM 468 CE2 TYR A 33 3.659 -4.876 -5.302 1.00 0.00 C ATOM 469 CZ TYR A 33 3.987 -4.161 -6.463 1.00 0.00 C ATOM 470 OH TYR A 33 3.802 -4.737 -7.683 1.00 0.00 O ATOM 0 H TYR A 33 5.332 0.214 -3.010 1.00 0.00 H new ATOM 0 HA TYR A 33 2.962 -1.442 -2.401 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.888 -2.272 -2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.573 -3.246 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.555 -1.496 -5.030 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.841 -4.961 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.890 -2.372 -7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.126 -5.812 -5.376 1.00 0.00 H new ATOM 0 HH TYR A 33 4.358 -4.280 -8.348 1.00 0.00 H new ATOM 480 N ILE A 34 3.866 -1.553 0.102 1.00 0.00 N ATOM 481 CA ILE A 34 4.105 -1.407 1.527 1.00 0.00 C ATOM 482 C ILE A 34 4.626 -2.768 1.990 1.00 0.00 C ATOM 483 O ILE A 34 4.451 -3.752 1.274 1.00 0.00 O ATOM 484 CB ILE A 34 2.769 -1.022 2.196 1.00 0.00 C ATOM 485 CG1 ILE A 34 2.341 0.395 1.779 1.00 0.00 C ATOM 486 CG2 ILE A 34 2.833 -1.050 3.730 1.00 0.00 C ATOM 487 CD1 ILE A 34 0.822 0.523 1.640 1.00 0.00 C ATOM 0 H ILE A 34 3.263 -2.349 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 34 4.827 -0.631 1.783 1.00 0.00 H new ATOM 0 HB ILE A 34 2.050 -1.769 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.698 1.113 2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.814 0.651 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.863 -0.770 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.092 -2.054 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.590 -0.346 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.568 1.541 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.466 -0.175 0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.349 0.294 2.595 1.00 0.00 H new ATOM 499 N ASP A 35 5.236 -2.845 3.175 1.00 0.00 N ATOM 500 CA ASP A 35 5.397 -4.092 3.902 1.00 0.00 C ATOM 501 C ASP A 35 4.554 -4.043 5.177 1.00 0.00 C ATOM 502 O ASP A 35 4.943 -3.370 6.135 1.00 0.00 O ATOM 503 CB ASP A 35 6.860 -4.386 4.218 1.00 0.00 C ATOM 504 CG ASP A 35 7.022 -5.718 4.950 1.00 0.00 C ATOM 505 OD1 ASP A 35 6.020 -6.442 5.159 1.00 0.00 O ATOM 506 OD2 ASP A 35 8.168 -6.097 5.261 1.00 0.00 O ATOM 0 H ASP A 35 5.632 -2.036 3.654 1.00 0.00 H new ATOM 0 HA ASP A 35 5.049 -4.909 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.435 -4.407 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.269 -3.582 4.830 1.00 0.00 H new ATOM 511 N PRO A 36 3.403 -4.734 5.224 1.00 0.00 N ATOM 512 CA PRO A 36 2.526 -4.698 6.381 1.00 0.00 C ATOM 513 C PRO A 36 3.147 -5.357 7.612 1.00 0.00 C ATOM 514 O PRO A 36 2.605 -5.217 8.703 1.00 0.00 O ATOM 515 CB PRO A 36 1.248 -5.423 5.972 1.00 0.00 C ATOM 516 CG PRO A 36 1.734 -6.377 4.872 1.00 0.00 C ATOM 517 CD PRO A 36 2.875 -5.619 4.200 1.00 0.00 C ATOM 0 HA PRO A 36 2.335 -3.664 6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.804 -5.963 6.808 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.491 -4.731 5.602 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.076 -7.325 5.288 1.00 0.00 H new ATOM 0 HG3 PRO A 36 0.938 -6.608 4.164 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.642 -6.303 3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.519 -5.055 3.338 1.00 0.00 H new ATOM 525 N ASP A 37 4.242 -6.102 7.437 1.00 0.00 N ATOM 526 CA ASP A 37 5.000 -6.662 8.543 1.00 0.00 C ATOM 527 C ASP A 37 5.708 -5.523 9.290 1.00 0.00 C ATOM 528 O ASP A 37 5.818 -5.528 10.512 1.00 0.00 O ATOM 529 CB ASP A 37 5.998 -7.627 7.905 1.00 0.00 C ATOM 530 CG ASP A 37 6.674 -8.622 8.824 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.213 -8.812 9.966 1.00 0.00 O ATOM 532 OD2 ASP A 37 7.625 -9.232 8.282 1.00 0.00 O ATOM 0 H ASP A 37 4.623 -6.330 6.519 1.00 0.00 H new ATOM 0 HA ASP A 37 4.377 -7.183 9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.479 -8.184 7.125 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.773 -7.038 7.414 1.00 0.00 H new ATOM 537 N VAL A 38 6.180 -4.527 8.530 1.00 0.00 N ATOM 538 CA VAL A 38 6.867 -3.353 9.046 1.00 0.00 C ATOM 539 C VAL A 38 5.856 -2.295 9.499 1.00 0.00 C ATOM 540 O VAL A 38 6.004 -1.733 10.583 1.00 0.00 O ATOM 541 CB VAL A 38 7.824 -2.804 7.973 1.00 0.00 C ATOM 542 CG1 VAL A 38 8.372 -1.432 8.382 1.00 0.00 C ATOM 543 CG2 VAL A 38 8.987 -3.777 7.739 1.00 0.00 C ATOM 0 H VAL A 38 6.089 -4.522 7.514 1.00 0.00 H new ATOM 0 HA VAL A 38 7.457 -3.631 9.920 1.00 0.00 H new ATOM 0 HB VAL A 38 7.260 -2.695 7.046 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.046 -1.064 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.545 -0.732 8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.915 -1.523 9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.653 -3.372 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.540 -3.914 8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.596 -4.738 7.405 1.00 0.00 H new ATOM 553 N CYS A 39 4.868 -1.976 8.655 1.00 0.00 N ATOM 554 CA CYS A 39 3.838 -0.995 8.982 1.00 0.00 C ATOM 555 C CYS A 39 3.163 -1.352 10.315 1.00 0.00 C ATOM 556 O CYS A 39 2.912 -2.520 10.606 1.00 0.00 O ATOM 557 CB CYS A 39 2.815 -0.968 7.883 1.00 0.00 C ATOM 558 SG CYS A 39 1.365 0.086 8.153 1.00 0.00 S ATOM 0 H CYS A 39 4.764 -2.392 7.729 1.00 0.00 H new ATOM 0 HA CYS A 39 4.298 -0.012 9.080 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.307 -0.643 6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.469 -1.988 7.714 1.00 0.00 H new ATOM 563 N ILE A 40 2.856 -0.334 11.119 1.00 0.00 N ATOM 564 CA ILE A 40 2.302 -0.469 12.459 1.00 0.00 C ATOM 565 C ILE A 40 0.854 0.027 12.497 1.00 0.00 C ATOM 566 O ILE A 40 0.456 0.678 13.460 1.00 0.00 O ATOM 567 CB ILE A 40 3.213 0.225 13.498 1.00 0.00 C ATOM 568 CG1 ILE A 40 3.502 1.729 13.306 1.00 0.00 C ATOM 569 CG2 ILE A 40 4.509 -0.572 13.701 1.00 0.00 C ATOM 570 CD1 ILE A 40 4.426 2.110 12.148 1.00 0.00 C ATOM 0 H ILE A 40 2.992 0.638 10.843 1.00 0.00 H new ATOM 0 HA ILE A 40 2.273 -1.524 12.731 1.00 0.00 H new ATOM 0 HB ILE A 40 2.609 0.216 14.405 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.551 2.243 13.165 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.938 2.112 14.229 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.136 -0.067 14.436 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.268 -1.574 14.057 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.045 -0.643 12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.548 3.193 12.121 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.399 1.638 12.288 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.990 1.771 11.208 1.00 0.00 H new ATOM 582 N ASP A 41 0.064 -0.266 11.450 1.00 0.00 N ATOM 583 CA ASP A 41 -1.322 0.213 11.328 1.00 0.00 C ATOM 584 C ASP A 41 -1.482 1.698 11.683 1.00 0.00 C ATOM 585 O ASP A 41 -2.483 2.113 12.263 1.00 0.00 O ATOM 586 CB ASP A 41 -2.283 -0.687 12.126 1.00 0.00 C ATOM 587 CG ASP A 41 -2.590 -1.944 11.352 1.00 0.00 C ATOM 588 OD1 ASP A 41 -3.093 -1.903 10.209 1.00 0.00 O ATOM 589 OD2 ASP A 41 -2.196 -3.059 11.730 1.00 0.00 O ATOM 0 H ASP A 41 0.369 -0.842 10.665 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.592 0.141 10.274 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.837 -0.944 13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.206 -0.147 12.337 1.00 0.00 H new ATOM 594 N CYS A 42 -0.495 2.514 11.306 1.00 0.00 N ATOM 595 CA CYS A 42 -0.453 3.912 11.711 1.00 0.00 C ATOM 596 C CYS A 42 -1.512 4.764 10.990 1.00 0.00 C ATOM 597 O CYS A 42 -1.929 5.811 11.482 1.00 0.00 O ATOM 598 CB CYS A 42 0.948 4.449 11.539 1.00 0.00 C ATOM 599 SG CYS A 42 1.251 5.429 10.047 1.00 0.00 S ATOM 0 H CYS A 42 0.287 2.224 10.718 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.712 3.974 12.768 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.188 5.063 12.407 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.640 3.607 11.542 1.00 0.00 H new ATOM 604 N GLY A 43 -1.947 4.301 9.816 1.00 0.00 N ATOM 605 CA GLY A 43 -2.814 5.026 8.907 1.00 0.00 C ATOM 606 C GLY A 43 -2.076 6.186 8.232 1.00 0.00 C ATOM 607 O GLY A 43 -0.894 6.073 7.890 1.00 0.00 O ATOM 0 H GLY A 43 -1.692 3.377 9.467 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.196 4.345 8.147 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.676 5.410 9.453 1.00 0.00 H new ATOM 611 N ALA A 44 -2.800 7.286 8.004 1.00 0.00 N ATOM 612 CA ALA A 44 -2.358 8.534 7.390 1.00 0.00 C ATOM 613 C ALA A 44 -2.234 8.365 5.877 1.00 0.00 C ATOM 614 O ALA A 44 -2.881 9.074 5.104 1.00 0.00 O ATOM 615 CB ALA A 44 -1.070 9.072 8.032 1.00 0.00 C ATOM 0 H ALA A 44 -3.785 7.326 8.265 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.118 9.293 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.780 10.002 7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.242 9.259 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.272 8.338 7.918 1.00 0.00 H new ATOM 621 N CYS A 45 -1.398 7.416 5.462 1.00 0.00 N ATOM 622 CA CYS A 45 -1.171 7.084 4.069 1.00 0.00 C ATOM 623 C CYS A 45 -2.493 6.711 3.379 1.00 0.00 C ATOM 624 O CYS A 45 -2.793 7.214 2.299 1.00 0.00 O ATOM 625 CB CYS A 45 -0.099 6.023 3.990 1.00 0.00 C ATOM 626 SG CYS A 45 -0.508 4.426 4.740 1.00 0.00 S ATOM 0 H CYS A 45 -0.849 6.846 6.106 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.801 7.947 3.515 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.144 5.858 2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.801 6.407 4.469 1.00 0.00 H new ATOM 631 N GLU A 46 -3.334 5.898 4.018 1.00 0.00 N ATOM 632 CA GLU A 46 -4.636 5.534 3.471 1.00 0.00 C ATOM 633 C GLU A 46 -5.572 6.741 3.385 1.00 0.00 C ATOM 634 O GLU A 46 -6.326 6.871 2.422 1.00 0.00 O ATOM 635 CB GLU A 46 -5.272 4.359 4.231 1.00 0.00 C ATOM 636 CG GLU A 46 -4.774 4.097 5.659 1.00 0.00 C ATOM 637 CD GLU A 46 -5.212 5.127 6.691 1.00 0.00 C ATOM 638 OE1 GLU A 46 -4.766 6.289 6.576 1.00 0.00 O ATOM 639 OE2 GLU A 46 -5.931 4.714 7.627 1.00 0.00 O ATOM 0 H GLU A 46 -3.131 5.476 4.924 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.469 5.190 2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.348 4.527 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.114 3.453 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.125 3.115 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.685 4.057 5.647 1.00 0.00 H new ATOM 646 N ALA A 47 -5.540 7.613 4.392 1.00 0.00 N ATOM 647 CA ALA A 47 -6.314 8.844 4.389 1.00 0.00 C ATOM 648 C ALA A 47 -5.929 9.718 3.192 1.00 0.00 C ATOM 649 O ALA A 47 -6.801 10.299 2.550 1.00 0.00 O ATOM 650 CB ALA A 47 -6.135 9.593 5.714 1.00 0.00 C ATOM 0 H ALA A 47 -4.975 7.482 5.231 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.370 8.594 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.721 10.512 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.474 8.963 6.537 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.082 9.837 5.855 1.00 0.00 H new ATOM 656 N VAL A 48 -4.626 9.840 2.905 1.00 0.00 N ATOM 657 CA VAL A 48 -4.137 10.657 1.808 1.00 0.00 C ATOM 658 C VAL A 48 -4.449 9.997 0.458 1.00 0.00 C ATOM 659 O VAL A 48 -4.817 10.684 -0.495 1.00 0.00 O ATOM 660 CB VAL A 48 -2.652 10.990 2.059 1.00 0.00 C ATOM 661 CG1 VAL A 48 -1.658 10.229 1.177 1.00 0.00 C ATOM 662 CG2 VAL A 48 -2.352 12.490 2.000 1.00 0.00 C ATOM 0 H VAL A 48 -3.889 9.372 3.432 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.658 11.613 1.761 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.497 10.639 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.642 10.532 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.769 9.158 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.855 10.455 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.291 12.656 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.613 12.875 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.938 13.008 2.759 1.00 0.00 H new ATOM 672 N CYS A 49 -4.306 8.670 0.373 1.00 0.00 N ATOM 673 CA CYS A 49 -4.494 7.925 -0.862 1.00 0.00 C ATOM 674 C CYS A 49 -5.927 8.100 -1.401 1.00 0.00 C ATOM 675 O CYS A 49 -6.890 7.880 -0.662 1.00 0.00 O ATOM 676 CB CYS A 49 -4.186 6.473 -0.613 1.00 0.00 C ATOM 677 SG CYS A 49 -4.193 5.450 -2.090 1.00 0.00 S ATOM 0 H CYS A 49 -4.054 8.085 1.169 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.814 8.312 -1.621 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.208 6.398 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.915 6.075 0.093 1.00 0.00 H new ATOM 682 N PRO A 50 -6.118 8.506 -2.670 1.00 0.00 N ATOM 683 CA PRO A 50 -7.441 8.744 -3.221 1.00 0.00 C ATOM 684 C PRO A 50 -8.306 7.483 -3.149 1.00 0.00 C ATOM 685 O PRO A 50 -7.972 6.451 -3.725 1.00 0.00 O ATOM 686 CB PRO A 50 -7.246 9.250 -4.655 1.00 0.00 C ATOM 687 CG PRO A 50 -5.774 8.991 -4.981 1.00 0.00 C ATOM 688 CD PRO A 50 -5.084 8.846 -3.626 1.00 0.00 C ATOM 0 HA PRO A 50 -7.980 9.493 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.901 8.724 -5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.485 10.311 -4.733 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.656 8.089 -5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.347 9.814 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.319 8.070 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.585 9.773 -3.344 1.00 0.00 H new ATOM 696 N VAL A 51 -9.426 7.578 -2.420 1.00 0.00 N ATOM 697 CA VAL A 51 -10.356 6.480 -2.175 1.00 0.00 C ATOM 698 C VAL A 51 -9.657 5.318 -1.444 1.00 0.00 C ATOM 699 O VAL A 51 -10.145 4.188 -1.460 1.00 0.00 O ATOM 700 CB VAL A 51 -11.069 6.050 -3.482 1.00 0.00 C ATOM 701 CG1 VAL A 51 -12.403 5.341 -3.200 1.00 0.00 C ATOM 702 CG2 VAL A 51 -11.394 7.251 -4.387 1.00 0.00 C ATOM 0 H VAL A 51 -9.714 8.449 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.143 6.829 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.370 5.376 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.870 5.056 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.221 4.449 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.065 6.015 -2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -11.893 6.901 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.049 7.941 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.471 7.763 -4.657 1.00 0.00 H new ATOM 712 N SER A 52 -8.531 5.595 -0.777 1.00 0.00 N ATOM 713 CA SER A 52 -7.759 4.620 -0.028 1.00 0.00 C ATOM 714 C SER A 52 -7.493 3.357 -0.847 1.00 0.00 C ATOM 715 O SER A 52 -7.863 2.264 -0.436 1.00 0.00 O ATOM 716 CB SER A 52 -8.445 4.332 1.309 1.00 0.00 C ATOM 717 OG SER A 52 -8.739 5.551 1.970 1.00 0.00 O ATOM 0 H SER A 52 -8.128 6.531 -0.748 1.00 0.00 H new ATOM 0 HA SER A 52 -6.776 5.038 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.362 3.767 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.799 3.715 1.934 1.00 0.00 H new ATOM 0 HG SER A 52 -7.906 6.038 2.144 1.00 0.00 H new ATOM 723 N ALA A 53 -6.825 3.487 -1.998 1.00 0.00 N ATOM 724 CA ALA A 53 -6.331 2.317 -2.724 1.00 0.00 C ATOM 725 C ALA A 53 -5.422 1.479 -1.814 1.00 0.00 C ATOM 726 O ALA A 53 -5.409 0.250 -1.905 1.00 0.00 O ATOM 727 CB ALA A 53 -5.608 2.735 -4.009 1.00 0.00 C ATOM 0 H ALA A 53 -6.617 4.382 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.181 1.701 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.250 1.847 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.297 3.281 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.762 3.374 -3.759 1.00 0.00 H new ATOM 733 N ILE A 54 -4.691 2.149 -0.917 1.00 0.00 N ATOM 734 CA ILE A 54 -4.123 1.526 0.266 1.00 0.00 C ATOM 735 C ILE A 54 -5.286 1.089 1.162 1.00 0.00 C ATOM 736 O ILE A 54 -5.975 1.930 1.736 1.00 0.00 O ATOM 737 CB ILE A 54 -3.175 2.501 0.991 1.00 0.00 C ATOM 738 CG1 ILE A 54 -1.967 2.807 0.092 1.00 0.00 C ATOM 739 CG2 ILE A 54 -2.697 1.874 2.312 1.00 0.00 C ATOM 740 CD1 ILE A 54 -1.095 3.968 0.586 1.00 0.00 C ATOM 0 H ILE A 54 -4.480 3.144 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.524 0.657 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.706 3.428 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.350 1.912 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.324 3.037 -0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.027 2.566 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.557 1.667 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.168 0.944 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.265 4.119 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.694 4.877 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.705 3.734 1.577 1.00 0.00 H new ATOM 752 N TYR A 55 -5.489 -0.220 1.289 1.00 0.00 N ATOM 753 CA TYR A 55 -6.551 -0.834 2.064 1.00 0.00 C ATOM 754 C TYR A 55 -5.948 -1.855 3.015 1.00 0.00 C ATOM 755 O TYR A 55 -4.876 -2.404 2.777 1.00 0.00 O ATOM 756 CB TYR A 55 -7.547 -1.510 1.125 1.00 0.00 C ATOM 757 CG TYR A 55 -8.544 -0.630 0.399 1.00 0.00 C ATOM 758 CD1 TYR A 55 -9.440 0.184 1.119 1.00 0.00 C ATOM 759 CD2 TYR A 55 -8.691 -0.760 -0.995 1.00 0.00 C ATOM 760 CE1 TYR A 55 -10.412 0.937 0.436 1.00 0.00 C ATOM 761 CE2 TYR A 55 -9.686 -0.039 -1.673 1.00 0.00 C ATOM 762 CZ TYR A 55 -10.488 0.871 -0.967 1.00 0.00 C ATOM 763 OH TYR A 55 -11.313 1.711 -1.648 1.00 0.00 O ATOM 0 H TYR A 55 -4.889 -0.907 0.833 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.076 -0.072 2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.979 -2.061 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -8.108 -2.244 1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -9.381 0.230 2.196 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.035 -1.418 -1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -11.098 1.564 0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.834 -0.184 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.904 2.600 -1.700 1.00 0.00 H new ATOM 773 N HIS A 56 -6.638 -2.112 4.123 1.00 0.00 N ATOM 774 CA HIS A 56 -6.180 -3.108 5.066 1.00 0.00 C ATOM 775 C HIS A 56 -6.375 -4.498 4.458 1.00 0.00 C ATOM 776 O HIS A 56 -7.317 -4.708 3.693 1.00 0.00 O ATOM 777 CB HIS A 56 -6.934 -2.921 6.381 1.00 0.00 C ATOM 778 CG HIS A 56 -6.382 -3.792 7.477 1.00 0.00 C ATOM 779 ND1 HIS A 56 -6.764 -5.086 7.757 1.00 0.00 N ATOM 780 CD2 HIS A 56 -5.219 -3.550 8.154 1.00 0.00 C ATOM 781 CE1 HIS A 56 -5.832 -5.615 8.568 1.00 0.00 C ATOM 782 NE2 HIS A 56 -4.859 -4.724 8.826 1.00 0.00 N ATOM 0 H HIS A 56 -7.507 -1.645 4.382 1.00 0.00 H new ATOM 0 HA HIS A 56 -5.117 -2.997 5.280 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -6.878 -1.876 6.686 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.988 -3.153 6.230 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -7.601 -5.556 7.412 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -4.674 -2.618 8.168 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.861 -6.621 8.960 1.00 0.00 H new ATOM 790 N GLU A 57 -5.499 -5.449 4.784 1.00 0.00 N ATOM 791 CA GLU A 57 -5.360 -6.675 4.018 1.00 0.00 C ATOM 792 C GLU A 57 -6.617 -7.544 3.918 1.00 0.00 C ATOM 793 O GLU A 57 -6.693 -8.405 3.043 1.00 0.00 O ATOM 794 CB GLU A 57 -4.200 -7.485 4.585 1.00 0.00 C ATOM 795 CG GLU A 57 -4.444 -8.163 5.931 1.00 0.00 C ATOM 796 CD GLU A 57 -3.660 -9.460 5.989 1.00 0.00 C ATOM 797 OE1 GLU A 57 -3.968 -10.365 5.182 1.00 0.00 O ATOM 798 OE2 GLU A 57 -2.663 -9.519 6.735 1.00 0.00 O ATOM 0 H GLU A 57 -4.870 -5.386 5.585 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.169 -6.362 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.931 -8.252 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.338 -6.825 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.139 -7.504 6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.508 -8.361 6.064 1.00 0.00 H new ATOM 805 N ASP A 58 -7.554 -7.374 4.849 1.00 0.00 N ATOM 806 CA ASP A 58 -8.800 -8.104 4.950 1.00 0.00 C ATOM 807 C ASP A 58 -9.971 -7.238 4.473 1.00 0.00 C ATOM 808 O ASP A 58 -11.058 -7.740 4.204 1.00 0.00 O ATOM 809 CB ASP A 58 -8.951 -8.532 6.417 1.00 0.00 C ATOM 810 CG ASP A 58 -8.765 -10.032 6.619 1.00 0.00 C ATOM 811 OD1 ASP A 58 -7.968 -10.622 5.854 1.00 0.00 O ATOM 812 OD2 ASP A 58 -9.396 -10.555 7.559 1.00 0.00 O ATOM 0 H ASP A 58 -7.451 -6.682 5.591 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.798 -8.986 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.222 -7.995 7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.939 -8.242 6.775 1.00 0.00 H new ATOM 817 N PHE A 59 -9.738 -5.928 4.351 1.00 0.00 N ATOM 818 CA PHE A 59 -10.608 -5.017 3.622 1.00 0.00 C ATOM 819 C PHE A 59 -10.468 -5.342 2.138 1.00 0.00 C ATOM 820 O PHE A 59 -11.441 -5.439 1.393 1.00 0.00 O ATOM 821 CB PHE A 59 -10.127 -3.586 3.893 1.00 0.00 C ATOM 822 CG PHE A 59 -11.222 -2.588 4.149 1.00 0.00 C ATOM 823 CD1 PHE A 59 -11.783 -2.504 5.434 1.00 0.00 C ATOM 824 CD2 PHE A 59 -11.626 -1.696 3.139 1.00 0.00 C ATOM 825 CE1 PHE A 59 -12.725 -1.505 5.723 1.00 0.00 C ATOM 826 CE2 PHE A 59 -12.556 -0.686 3.434 1.00 0.00 C ATOM 827 CZ PHE A 59 -13.101 -0.587 4.727 1.00 0.00 C ATOM 0 H PHE A 59 -8.926 -5.469 4.764 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.649 -5.115 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.459 -3.600 4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.539 -3.248 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.490 -3.208 6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -11.223 -1.788 2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -13.161 -1.441 6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -12.853 0.015 2.668 1.00 0.00 H new ATOM 0 HZ PHE A 59 -13.810 0.196 4.955 1.00 0.00 H new ATOM 837 N VAL A 60 -9.207 -5.495 1.732 1.00 0.00 N ATOM 838 CA VAL A 60 -8.791 -5.985 0.435 1.00 0.00 C ATOM 839 C VAL A 60 -9.571 -7.251 0.076 1.00 0.00 C ATOM 840 O VAL A 60 -9.650 -8.171 0.892 1.00 0.00 O ATOM 841 CB VAL A 60 -7.277 -6.228 0.510 1.00 0.00 C ATOM 842 CG1 VAL A 60 -6.740 -7.284 -0.457 1.00 0.00 C ATOM 843 CG2 VAL A 60 -6.643 -4.884 0.205 1.00 0.00 C ATOM 0 H VAL A 60 -8.416 -5.267 2.335 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.001 -5.264 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.034 -6.623 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.662 -7.382 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.219 -8.242 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.956 -6.982 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.558 -4.977 0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.947 -4.555 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.968 -4.152 0.944 1.00 0.00 H new ATOM 853 N PRO A 61 -10.139 -7.312 -1.136 1.00 0.00 N ATOM 854 CA PRO A 61 -10.854 -8.486 -1.588 1.00 0.00 C ATOM 855 C PRO A 61 -9.873 -9.644 -1.743 1.00 0.00 C ATOM 856 O PRO A 61 -8.706 -9.421 -2.061 1.00 0.00 O ATOM 857 CB PRO A 61 -11.483 -8.098 -2.929 1.00 0.00 C ATOM 858 CG PRO A 61 -10.638 -6.924 -3.436 1.00 0.00 C ATOM 859 CD PRO A 61 -10.029 -6.303 -2.177 1.00 0.00 C ATOM 0 HA PRO A 61 -11.622 -8.809 -0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.462 -8.932 -3.631 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.527 -7.810 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.863 -7.263 -4.123 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.250 -6.202 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.988 -6.027 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.559 -5.393 -1.896 1.00 0.00 H new ATOM 867 N GLU A 62 -10.353 -10.877 -1.556 1.00 0.00 N ATOM 868 CA GLU A 62 -9.564 -12.092 -1.715 1.00 0.00 C ATOM 869 C GLU A 62 -8.753 -12.034 -3.014 1.00 0.00 C ATOM 870 O GLU A 62 -7.547 -12.269 -3.022 1.00 0.00 O ATOM 871 CB GLU A 62 -10.499 -13.310 -1.663 1.00 0.00 C ATOM 872 CG GLU A 62 -9.731 -14.626 -1.476 1.00 0.00 C ATOM 873 CD GLU A 62 -8.975 -14.662 -0.151 1.00 0.00 C ATOM 874 OE1 GLU A 62 -9.619 -14.362 0.877 1.00 0.00 O ATOM 875 OE2 GLU A 62 -7.760 -14.950 -0.190 1.00 0.00 O ATOM 0 H GLU A 62 -11.320 -11.057 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.846 -12.183 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.208 -13.186 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.080 -13.359 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.429 -15.462 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.028 -14.756 -2.299 1.00 0.00 H new ATOM 882 N GLU A 63 -9.424 -11.612 -4.092 1.00 0.00 N ATOM 883 CA GLU A 63 -8.844 -11.322 -5.398 1.00 0.00 C ATOM 884 C GLU A 63 -7.475 -10.639 -5.276 1.00 0.00 C ATOM 885 O GLU A 63 -6.497 -11.064 -5.892 1.00 0.00 O ATOM 886 CB GLU A 63 -9.852 -10.453 -6.158 1.00 0.00 C ATOM 887 CG GLU A 63 -9.411 -10.076 -7.576 1.00 0.00 C ATOM 888 CD GLU A 63 -10.528 -9.342 -8.307 1.00 0.00 C ATOM 889 OE1 GLU A 63 -11.107 -8.430 -7.678 1.00 0.00 O ATOM 890 OE2 GLU A 63 -10.798 -9.727 -9.464 1.00 0.00 O ATOM 0 H GLU A 63 -10.432 -11.458 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.658 -12.247 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.803 -10.983 -6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.029 -9.540 -5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.523 -9.446 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.137 -10.975 -8.128 1.00 0.00 H new ATOM 897 N TRP A 64 -7.404 -9.586 -4.459 1.00 0.00 N ATOM 898 CA TRP A 64 -6.213 -8.778 -4.276 1.00 0.00 C ATOM 899 C TRP A 64 -5.449 -9.127 -2.998 1.00 0.00 C ATOM 900 O TRP A 64 -4.355 -8.605 -2.806 1.00 0.00 O ATOM 901 CB TRP A 64 -6.579 -7.293 -4.418 1.00 0.00 C ATOM 902 CG TRP A 64 -7.016 -6.860 -5.793 1.00 0.00 C ATOM 903 CD1 TRP A 64 -6.614 -7.418 -6.961 1.00 0.00 C ATOM 904 CD2 TRP A 64 -7.913 -5.767 -6.178 1.00 0.00 C ATOM 905 NE1 TRP A 64 -7.196 -6.761 -8.022 1.00 0.00 N ATOM 906 CE2 TRP A 64 -8.043 -5.770 -7.598 1.00 0.00 C ATOM 907 CE3 TRP A 64 -8.612 -4.752 -5.486 1.00 0.00 C ATOM 908 CZ2 TRP A 64 -8.849 -4.860 -8.290 1.00 0.00 C ATOM 909 CZ3 TRP A 64 -9.346 -3.773 -6.183 1.00 0.00 C ATOM 910 CH2 TRP A 64 -9.490 -3.839 -7.578 1.00 0.00 C ATOM 0 H TRP A 64 -8.195 -9.271 -3.897 1.00 0.00 H new ATOM 0 HA TRP A 64 -5.498 -9.010 -5.065 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -7.379 -7.065 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.716 -6.695 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.937 -8.255 -7.047 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.019 -6.984 -9.001 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.583 -4.727 -4.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -8.975 -4.944 -9.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -9.804 -2.961 -5.638 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -10.091 -3.108 -8.098 1.00 0.00 H new ATOM 921 N LYS A 65 -5.892 -10.096 -2.189 1.00 0.00 N ATOM 922 CA LYS A 65 -5.003 -10.677 -1.183 1.00 0.00 C ATOM 923 C LYS A 65 -3.769 -11.305 -1.853 1.00 0.00 C ATOM 924 O LYS A 65 -2.715 -11.452 -1.226 1.00 0.00 O ATOM 925 CB LYS A 65 -5.722 -11.662 -0.248 1.00 0.00 C ATOM 926 CG LYS A 65 -6.691 -10.943 0.707 1.00 0.00 C ATOM 927 CD LYS A 65 -7.195 -11.883 1.817 1.00 0.00 C ATOM 928 CE LYS A 65 -6.189 -12.036 2.973 1.00 0.00 C ATOM 929 NZ LYS A 65 -6.233 -10.905 3.921 1.00 0.00 N ATOM 0 H LYS A 65 -6.835 -10.485 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.662 -9.864 -0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.272 -12.391 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.984 -12.216 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.191 -10.085 1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.540 -10.558 0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.137 -11.501 2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.402 -12.864 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.396 -12.962 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.182 -12.123 2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.430 -10.971 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.178 -10.009 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.123 -10.937 4.458 1.00 0.00 H new ATOM 943 N SER A 66 -3.863 -11.623 -3.146 1.00 0.00 N ATOM 944 CA SER A 66 -2.721 -11.865 -4.013 1.00 0.00 C ATOM 945 C SER A 66 -1.652 -10.770 -3.853 1.00 0.00 C ATOM 946 O SER A 66 -0.486 -11.059 -3.584 1.00 0.00 O ATOM 947 CB SER A 66 -3.224 -11.942 -5.459 1.00 0.00 C ATOM 948 OG SER A 66 -4.359 -12.785 -5.518 1.00 0.00 O ATOM 0 H SER A 66 -4.758 -11.720 -3.625 1.00 0.00 H new ATOM 0 HA SER A 66 -2.245 -12.806 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.478 -10.946 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.438 -12.326 -6.109 1.00 0.00 H new ATOM 0 HG SER A 66 -5.162 -12.243 -5.665 1.00 0.00 H new ATOM 954 N TYR A 67 -2.041 -9.498 -3.997 1.00 0.00 N ATOM 955 CA TYR A 67 -1.112 -8.391 -3.827 1.00 0.00 C ATOM 956 C TYR A 67 -0.603 -8.334 -2.405 1.00 0.00 C ATOM 957 O TYR A 67 0.533 -7.927 -2.201 1.00 0.00 O ATOM 958 CB TYR A 67 -1.763 -7.032 -4.113 1.00 0.00 C ATOM 959 CG TYR A 67 -1.847 -6.662 -5.578 1.00 0.00 C ATOM 960 CD1 TYR A 67 -0.674 -6.359 -6.291 1.00 0.00 C ATOM 961 CD2 TYR A 67 -3.096 -6.592 -6.222 1.00 0.00 C ATOM 962 CE1 TYR A 67 -0.750 -6.013 -7.650 1.00 0.00 C ATOM 963 CE2 TYR A 67 -3.173 -6.203 -7.571 1.00 0.00 C ATOM 964 CZ TYR A 67 -2.001 -5.889 -8.279 1.00 0.00 C ATOM 965 OH TYR A 67 -2.054 -5.556 -9.598 1.00 0.00 O ATOM 0 H TYR A 67 -2.993 -9.217 -4.231 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.304 -8.572 -4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.770 -7.032 -3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.201 -6.259 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.284 -6.392 -5.794 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.997 -6.837 -5.679 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.155 -5.842 -8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.133 -6.146 -8.063 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.982 -5.604 -9.910 1.00 0.00 H new ATOM 975 N ILE A 68 -1.419 -8.670 -1.409 1.00 0.00 N ATOM 976 CA ILE A 68 -0.971 -8.568 -0.041 1.00 0.00 C ATOM 977 C ILE A 68 0.167 -9.555 0.178 1.00 0.00 C ATOM 978 O ILE A 68 1.220 -9.198 0.706 1.00 0.00 O ATOM 979 CB ILE A 68 -2.163 -8.826 0.887 1.00 0.00 C ATOM 980 CG1 ILE A 68 -3.101 -7.615 1.005 1.00 0.00 C ATOM 981 CG2 ILE A 68 -1.731 -9.295 2.279 1.00 0.00 C ATOM 982 CD1 ILE A 68 -3.153 -6.659 -0.196 1.00 0.00 C ATOM 0 H ILE A 68 -2.374 -9.008 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.589 -7.572 0.182 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.721 -9.634 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.110 -7.984 1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.806 -7.041 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.613 -9.463 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.167 -10.224 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.105 -8.532 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.851 -5.848 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.160 -6.246 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.485 -7.203 -1.080 1.00 0.00 H new ATOM 994 N GLN A 69 -0.045 -10.800 -0.252 1.00 0.00 N ATOM 995 CA GLN A 69 0.998 -11.797 -0.273 1.00 0.00 C ATOM 996 C GLN A 69 2.195 -11.276 -1.060 1.00 0.00 C ATOM 997 O GLN A 69 3.314 -11.517 -0.638 1.00 0.00 O ATOM 998 CB GLN A 69 0.423 -13.085 -0.856 1.00 0.00 C ATOM 999 CG GLN A 69 -0.408 -13.809 0.205 1.00 0.00 C ATOM 1000 CD GLN A 69 -1.362 -14.815 -0.421 1.00 0.00 C ATOM 1001 OE1 GLN A 69 -1.158 -16.020 -0.337 1.00 0.00 O ATOM 1002 NE2 GLN A 69 -2.422 -14.312 -1.046 1.00 0.00 N ATOM 0 H GLN A 69 -0.947 -11.134 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 69 1.356 -12.012 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.197 -12.857 -1.723 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.230 -13.731 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.256 -14.321 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.975 -13.080 0.784 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.554 -13.302 -1.093 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.103 -14.936 -1.478 1.00 0.00 H new ATOM 1011 N LYS A 70 1.991 -10.532 -2.149 1.00 0.00 N ATOM 1012 CA LYS A 70 3.092 -9.925 -2.888 1.00 0.00 C ATOM 1013 C LYS A 70 3.864 -8.876 -2.070 1.00 0.00 C ATOM 1014 O LYS A 70 5.084 -8.938 -1.973 1.00 0.00 O ATOM 1015 CB LYS A 70 2.570 -9.348 -4.212 1.00 0.00 C ATOM 1016 CG LYS A 70 3.709 -9.197 -5.222 1.00 0.00 C ATOM 1017 CD LYS A 70 3.195 -8.606 -6.542 1.00 0.00 C ATOM 1018 CE LYS A 70 4.400 -8.263 -7.428 1.00 0.00 C ATOM 1019 NZ LYS A 70 4.099 -7.241 -8.445 1.00 0.00 N ATOM 0 H LYS A 70 1.068 -10.337 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 70 3.817 -10.710 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.799 -10.002 -4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.104 -8.379 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.485 -8.553 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.167 -10.168 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.545 -9.320 -7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.600 -7.713 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.217 -7.911 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.748 -9.169 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.860 -7.222 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.198 -7.470 -8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.026 -6.309 -7.990 1.00 0.00 H new ATOM 1033 N ASN A 71 3.179 -7.891 -1.489 1.00 0.00 N ATOM 1034 CA ASN A 71 3.774 -6.896 -0.614 1.00 0.00 C ATOM 1035 C ASN A 71 4.532 -7.557 0.521 1.00 0.00 C ATOM 1036 O ASN A 71 5.627 -7.125 0.862 1.00 0.00 O ATOM 1037 CB ASN A 71 2.657 -6.016 -0.033 1.00 0.00 C ATOM 1038 CG ASN A 71 2.172 -4.944 -0.998 1.00 0.00 C ATOM 1039 OD1 ASN A 71 2.273 -3.749 -0.739 1.00 0.00 O ATOM 1040 ND2 ASN A 71 1.611 -5.356 -2.128 1.00 0.00 N ATOM 0 H ASN A 71 2.175 -7.765 -1.620 1.00 0.00 H new ATOM 0 HA ASN A 71 4.475 -6.293 -1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.815 -6.649 0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.017 -5.539 0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.255 -4.675 -2.799 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.536 -6.354 -2.326 1.00 0.00 H new ATOM 1047 N ARG A 72 3.973 -8.621 1.093 1.00 0.00 N ATOM 1048 CA ARG A 72 4.724 -9.443 2.003 1.00 0.00 C ATOM 1049 C ARG A 72 5.974 -9.969 1.284 1.00 0.00 C ATOM 1050 O ARG A 72 7.082 -9.621 1.680 1.00 0.00 O ATOM 1051 CB ARG A 72 3.802 -10.542 2.534 1.00 0.00 C ATOM 1052 CG ARG A 72 3.091 -10.009 3.781 1.00 0.00 C ATOM 1053 CD ARG A 72 1.949 -10.907 4.262 1.00 0.00 C ATOM 1054 NE ARG A 72 1.456 -10.396 5.554 1.00 0.00 N ATOM 1055 CZ ARG A 72 0.178 -10.234 5.933 1.00 0.00 C ATOM 1056 NH1 ARG A 72 -0.835 -10.732 5.221 1.00 0.00 N ATOM 1057 NH2 ARG A 72 -0.096 -9.553 7.046 1.00 0.00 N ATOM 0 H ARG A 72 3.011 -8.922 0.937 1.00 0.00 H new ATOM 0 HA ARG A 72 5.080 -8.882 2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.074 -10.828 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.377 -11.436 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.819 -9.898 4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.697 -9.015 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.143 -10.919 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.296 -11.934 4.370 1.00 0.00 H new ATOM 0 HE ARG A 72 2.167 -10.136 6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.649 -11.252 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.796 -10.593 5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.663 -9.159 7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.064 -9.426 7.341 1.00 0.00 H new ATOM 1071 N ASP A 73 5.801 -10.759 0.217 1.00 0.00 N ATOM 1072 CA ASP A 73 6.851 -11.461 -0.518 1.00 0.00 C ATOM 1073 C ASP A 73 8.077 -10.586 -0.710 1.00 0.00 C ATOM 1074 O ASP A 73 9.196 -10.962 -0.350 1.00 0.00 O ATOM 1075 CB ASP A 73 6.323 -11.848 -1.905 1.00 0.00 C ATOM 1076 CG ASP A 73 7.262 -12.828 -2.571 1.00 0.00 C ATOM 1077 OD1 ASP A 73 7.133 -14.033 -2.284 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.148 -12.356 -3.317 1.00 0.00 O ATOM 0 H ASP A 73 4.875 -10.932 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 73 7.131 -12.342 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.331 -12.290 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.219 -10.956 -2.523 1.00 0.00 H new ATOM 1083 N PHE A 74 7.793 -9.400 -1.252 1.00 0.00 N ATOM 1084 CA PHE A 74 8.730 -8.345 -1.584 1.00 0.00 C ATOM 1085 C PHE A 74 9.755 -8.096 -0.475 1.00 0.00 C ATOM 1086 O PHE A 74 10.902 -7.769 -0.768 1.00 0.00 O ATOM 1087 CB PHE A 74 7.905 -7.083 -1.893 1.00 0.00 C ATOM 1088 CG PHE A 74 7.533 -6.828 -3.344 1.00 0.00 C ATOM 1089 CD1 PHE A 74 7.624 -7.828 -4.335 1.00 0.00 C ATOM 1090 CD2 PHE A 74 7.252 -5.506 -3.727 1.00 0.00 C ATOM 1091 CE1 PHE A 74 7.618 -7.467 -5.695 1.00 0.00 C ATOM 1092 CE2 PHE A 74 7.260 -5.144 -5.082 1.00 0.00 C ATOM 1093 CZ PHE A 74 7.455 -6.121 -6.070 1.00 0.00 C ATOM 0 H PHE A 74 6.834 -9.142 -1.483 1.00 0.00 H new ATOM 0 HA PHE A 74 9.321 -8.639 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.984 -7.133 -1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.463 -6.219 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.698 -8.867 -4.051 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.029 -4.765 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.739 -8.226 -6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.116 -4.112 -5.365 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.480 -5.841 -7.113 1.00 0.00 H new ATOM 1103 N PHE A 75 9.344 -8.232 0.788 1.00 0.00 N ATOM 1104 CA PHE A 75 10.169 -7.971 1.950 1.00 0.00 C ATOM 1105 C PHE A 75 10.150 -9.164 2.908 1.00 0.00 C ATOM 1106 O PHE A 75 10.085 -8.964 4.125 1.00 0.00 O ATOM 1107 CB PHE A 75 9.596 -6.750 2.662 1.00 0.00 C ATOM 1108 CG PHE A 75 9.546 -5.459 1.876 1.00 0.00 C ATOM 1109 CD1 PHE A 75 8.427 -5.222 1.060 1.00 0.00 C ATOM 1110 CD2 PHE A 75 10.361 -4.380 2.266 1.00 0.00 C ATOM 1111 CE1 PHE A 75 8.011 -3.911 0.802 1.00 0.00 C ATOM 1112 CE2 PHE A 75 9.961 -3.062 1.987 1.00 0.00 C ATOM 1113 CZ PHE A 75 8.744 -2.833 1.326 1.00 0.00 C ATOM 0 H PHE A 75 8.400 -8.536 1.028 1.00 0.00 H new ATOM 0 HA PHE A 75 11.199 -7.800 1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.583 -6.990 2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 75 10.184 -6.576 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.887 -6.053 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 75 11.293 -4.565 2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.131 -3.729 0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.586 -2.231 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 75 8.370 -1.825 1.220 1.00 0.00 H new ATOM 1123 N LYS A 76 10.154 -10.398 2.390 1.00 0.00 N ATOM 1124 CA LYS A 76 10.151 -11.589 3.222 1.00 0.00 C ATOM 1125 C LYS A 76 11.181 -12.606 2.738 1.00 0.00 C ATOM 1126 O LYS A 76 11.881 -13.205 3.554 1.00 0.00 O ATOM 1127 CB LYS A 76 8.730 -12.163 3.246 1.00 0.00 C ATOM 1128 CG LYS A 76 8.151 -12.380 4.658 1.00 0.00 C ATOM 1129 CD LYS A 76 8.122 -11.132 5.568 1.00 0.00 C ATOM 1130 CE LYS A 76 7.357 -9.920 5.004 1.00 0.00 C ATOM 1131 NZ LYS A 76 7.776 -8.669 5.671 1.00 0.00 N ATOM 0 H LYS A 76 10.159 -10.590 1.388 1.00 0.00 H new ATOM 0 HA LYS A 76 10.442 -11.332 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.071 -11.491 2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.728 -13.115 2.716 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.134 -12.759 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.734 -13.156 5.155 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.675 -11.410 6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.149 -10.829 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.534 -9.841 3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.286 -10.067 5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.060 -7.932 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.875 -8.837 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.689 -8.357 5.282 1.00 0.00 H new ATOM 1145 N LYS A 77 11.262 -12.816 1.426 1.00 0.00 N ATOM 1146 CA LYS A 77 12.153 -13.729 0.769 1.00 0.00 C ATOM 1147 C LYS A 77 12.708 -13.031 -0.464 1.00 0.00 C ATOM 1148 O LYS A 77 13.711 -13.524 -1.021 1.00 0.00 O ATOM 1149 CB LYS A 77 11.333 -14.961 0.397 1.00 0.00 C ATOM 1150 CG LYS A 77 10.045 -14.733 -0.422 1.00 0.00 C ATOM 1151 CD LYS A 77 10.127 -15.288 -1.855 1.00 0.00 C ATOM 1152 CE LYS A 77 10.989 -14.473 -2.830 1.00 0.00 C ATOM 1153 NZ LYS A 77 10.643 -13.036 -2.842 1.00 0.00 N ATOM 1154 OXT LYS A 77 12.045 -12.061 -0.898 1.00 0.00 O ATOM 0 H LYS A 77 10.665 -12.316 0.767 1.00 0.00 H new ATOM 0 HA LYS A 77 12.990 -14.032 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.976 -15.637 -0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.060 -15.475 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.207 -15.202 0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.835 -13.664 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.520 -16.304 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.117 -15.355 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.039 -14.586 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.873 -14.878 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.197 -12.552 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.629 -12.925 -3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.860 -12.619 -1.914 1.00 0.00 H new TER 1168 LYS A 77 HETATM 1169 FE1 F3S A 78 -0.833 4.861 -5.190 1.00 0.00 FE HETATM 1170 FE3 F3S A 78 -2.407 5.716 -3.310 1.00 0.00 FE HETATM 1171 FE4 F3S A 78 0.086 5.829 -3.000 1.00 0.00 FE HETATM 1172 S1 F3S A 78 -2.659 6.121 -5.367 1.00 0.00 S HETATM 1173 S2 F3S A 78 0.826 6.448 -4.975 1.00 0.00 S HETATM 1174 S3 F3S A 78 -1.042 4.057 -3.111 1.00 0.00 S HETATM 1175 S4 F3S A 78 -1.195 7.575 -2.513 1.00 0.00 S HETATM 1176 FE1 SF4 A 79 3.574 3.640 6.655 1.00 0.00 FE HETATM 1177 FE2 SF4 A 79 1.826 1.983 7.492 1.00 0.00 FE HETATM 1178 FE3 SF4 A 79 1.692 4.352 8.267 1.00 0.00 FE HETATM 1179 FE4 SF4 A 79 1.056 3.788 5.908 1.00 0.00 FE HETATM 1180 S1 SF4 A 79 -0.052 3.041 7.537 1.00 0.00 S HETATM 1181 S2 SF4 A 79 2.307 5.441 6.602 1.00 0.00 S HETATM 1182 S3 SF4 A 79 2.433 2.117 5.400 1.00 0.00 S HETATM 1183 S4 SF4 A 79 3.229 2.886 8.743 1.00 0.00 S