USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 494 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 26 CYS SG : rot 74:sc= -1.11! USER MOD Set 1.2: A 28 CYS SG : rot -83:sc= -0.381 USER MOD Set 1.3: A 48 CYS SG : rot -168:sc= -1.09 USER MOD Set 1.4: A 50 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 51 CYS SG : rot 170:sc= -8.19! USER MOD Single : A 4 THR OG1 : rot 9:sc= 0.737 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 165:sc= 0 (180deg=-0.172) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 20 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.4!) USER MOD Single : A 21 MET CE :methyl -166:sc= -0.0411 (180deg=-0.345) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 90:sc= -0.638 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot -110:sc= 0.0058 USER MOD Single : A 39 MET CE :methyl -157:sc= -0.456 (180deg=-1.59) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.355) USER MOD Single : A 67 TYR OH : rot 120:sc= -0.634 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N THR A 4 -14.517 9.913 5.295 1.00 0.00 N ATOM 48 CA THR A 4 -13.271 10.022 4.529 1.00 0.00 C ATOM 49 C THR A 4 -13.296 11.249 3.613 1.00 0.00 C ATOM 50 O THR A 4 -14.291 11.974 3.558 1.00 0.00 O ATOM 51 CB THR A 4 -13.024 8.749 3.704 1.00 0.00 C ATOM 52 OG1 THR A 4 -13.762 7.654 4.218 1.00 0.00 O ATOM 53 CG2 THR A 4 -11.570 8.332 3.666 1.00 0.00 C ATOM 0 HA THR A 4 -12.453 10.140 5.240 1.00 0.00 H new ATOM 0 HB THR A 4 -13.347 9.003 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.387 7.973 4.903 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.467 7.427 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.974 9.130 3.223 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.220 8.138 4.680 1.00 0.00 H new ATOM 61 N TYR A 5 -12.192 11.483 2.902 1.00 0.00 N ATOM 62 CA TYR A 5 -12.089 12.625 1.996 1.00 0.00 C ATOM 63 C TYR A 5 -12.191 12.183 0.537 1.00 0.00 C ATOM 64 O TYR A 5 -13.230 12.361 -0.101 1.00 0.00 O ATOM 65 CB TYR A 5 -10.773 13.376 2.228 1.00 0.00 C ATOM 66 CG TYR A 5 -10.843 14.410 3.331 1.00 0.00 C ATOM 67 CD1 TYR A 5 -10.750 14.037 4.667 1.00 0.00 C ATOM 68 CD2 TYR A 5 -10.998 15.759 3.036 1.00 0.00 C ATOM 69 CE1 TYR A 5 -10.808 14.980 5.676 1.00 0.00 C ATOM 70 CE2 TYR A 5 -11.057 16.707 4.040 1.00 0.00 C ATOM 71 CZ TYR A 5 -10.962 16.313 5.357 1.00 0.00 C ATOM 72 OH TYR A 5 -11.018 17.255 6.360 1.00 0.00 O ATOM 0 H TYR A 5 -11.358 10.897 2.937 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.922 13.296 2.208 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -9.992 12.655 2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -10.478 13.868 1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.631 12.994 4.921 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -11.074 16.072 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.733 14.674 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -11.177 17.752 3.793 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.127 18.146 5.966 1.00 0.00 H new ATOM 82 N ASP A 6 -11.107 11.610 0.016 1.00 0.00 N ATOM 83 CA ASP A 6 -11.069 11.144 -1.372 1.00 0.00 C ATOM 84 C ASP A 6 -10.633 9.678 -1.447 1.00 0.00 C ATOM 85 O ASP A 6 -10.219 9.091 -0.444 1.00 0.00 O ATOM 86 CB ASP A 6 -10.113 12.015 -2.198 1.00 0.00 C ATOM 87 CG ASP A 6 -10.773 13.274 -2.731 1.00 0.00 C ATOM 88 OD1 ASP A 6 -11.515 13.928 -1.969 1.00 0.00 O ATOM 89 OD2 ASP A 6 -10.543 13.610 -3.911 1.00 0.00 O ATOM 0 H ASP A 6 -10.242 11.457 0.534 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.075 11.226 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.258 12.292 -1.582 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.728 11.431 -3.034 1.00 0.00 H new ATOM 94 N GLU A 7 -10.724 9.092 -2.643 1.00 0.00 N ATOM 95 CA GLU A 7 -10.332 7.698 -2.849 1.00 0.00 C ATOM 96 C GLU A 7 -9.445 7.555 -4.086 1.00 0.00 C ATOM 97 O GLU A 7 -9.719 8.151 -5.131 1.00 0.00 O ATOM 98 CB GLU A 7 -11.571 6.802 -2.978 1.00 0.00 C ATOM 99 CG GLU A 7 -12.582 7.283 -4.008 1.00 0.00 C ATOM 100 CD GLU A 7 -14.002 6.853 -3.687 1.00 0.00 C ATOM 101 OE1 GLU A 7 -14.397 6.928 -2.502 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.722 6.442 -4.621 1.00 0.00 O ATOM 0 H GLU A 7 -11.065 9.561 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.759 7.379 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.251 5.794 -3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.061 6.737 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.542 8.371 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.304 6.899 -4.989 1.00 0.00 H new ATOM 109 N ILE A 8 -8.375 6.767 -3.959 1.00 0.00 N ATOM 110 CA ILE A 8 -7.438 6.549 -5.061 1.00 0.00 C ATOM 111 C ILE A 8 -7.388 5.075 -5.467 1.00 0.00 C ATOM 112 O ILE A 8 -7.604 4.185 -4.641 1.00 0.00 O ATOM 113 CB ILE A 8 -6.012 7.018 -4.693 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.047 8.422 -4.076 1.00 0.00 C ATOM 115 CG2 ILE A 8 -5.118 7.001 -5.925 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.115 8.424 -2.563 1.00 0.00 C ATOM 0 H ILE A 8 -8.136 6.269 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.802 7.140 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.602 6.330 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.159 8.969 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.909 8.960 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.116 7.333 -5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.068 5.988 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.529 7.669 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.137 9.452 -2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.018 7.906 -2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.240 7.915 -2.159 1.00 0.00 H new ATOM 128 N GLU A 9 -7.102 4.825 -6.746 1.00 0.00 N ATOM 129 CA GLU A 9 -7.024 3.463 -7.269 1.00 0.00 C ATOM 130 C GLU A 9 -5.577 2.982 -7.355 1.00 0.00 C ATOM 131 O GLU A 9 -4.652 3.784 -7.496 1.00 0.00 O ATOM 132 CB GLU A 9 -7.673 3.390 -8.655 1.00 0.00 C ATOM 133 CG GLU A 9 -9.194 3.345 -8.620 1.00 0.00 C ATOM 134 CD GLU A 9 -9.827 3.898 -9.885 1.00 0.00 C ATOM 135 OE1 GLU A 9 -10.040 3.114 -10.834 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.111 5.114 -9.925 1.00 0.00 O ATOM 0 H GLU A 9 -6.920 5.551 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.562 2.812 -6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.358 4.254 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.304 2.504 -9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.520 2.315 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.550 3.914 -7.762 1.00 0.00 H new ATOM 143 N ILE A 10 -5.394 1.662 -7.280 1.00 0.00 N ATOM 144 CA ILE A 10 -4.063 1.060 -7.358 1.00 0.00 C ATOM 145 C ILE A 10 -3.372 1.411 -8.680 1.00 0.00 C ATOM 146 O ILE A 10 -2.150 1.555 -8.727 1.00 0.00 O ATOM 147 CB ILE A 10 -4.125 -0.478 -7.193 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.714 -1.071 -7.119 1.00 0.00 C ATOM 149 CG2 ILE A 10 -4.913 -1.118 -8.330 1.00 0.00 C ATOM 150 CD1 ILE A 10 -2.257 -1.379 -5.709 1.00 0.00 C ATOM 0 H ILE A 10 -6.152 0.990 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.479 1.473 -6.536 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.641 -0.695 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.683 -1.986 -7.710 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.012 -0.373 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.941 -2.199 -8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.930 -0.726 -8.334 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.432 -0.888 -9.281 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.250 -1.796 -5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.255 -0.463 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.936 -2.101 -5.256 1.00 0.00 H new ATOM 162 N GLU A 11 -4.162 1.556 -9.746 1.00 0.00 N ATOM 163 CA GLU A 11 -3.621 1.901 -11.061 1.00 0.00 C ATOM 164 C GLU A 11 -2.916 3.260 -11.025 1.00 0.00 C ATOM 165 O GLU A 11 -1.932 3.475 -11.733 1.00 0.00 O ATOM 166 CB GLU A 11 -4.735 1.917 -12.114 1.00 0.00 C ATOM 167 CG GLU A 11 -5.842 2.924 -11.826 1.00 0.00 C ATOM 168 CD GLU A 11 -7.086 2.691 -12.663 1.00 0.00 C ATOM 169 OE1 GLU A 11 -7.679 1.596 -12.555 1.00 0.00 O ATOM 170 OE2 GLU A 11 -7.469 3.603 -13.425 1.00 0.00 O ATOM 0 H GLU A 11 -5.175 1.440 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.889 1.140 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.298 2.140 -13.087 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.172 0.921 -12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.106 2.873 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.468 3.931 -12.013 1.00 0.00 H new ATOM 177 N ASP A 12 -3.426 4.170 -10.192 1.00 0.00 N ATOM 178 CA ASP A 12 -2.846 5.506 -10.058 1.00 0.00 C ATOM 179 C ASP A 12 -1.899 5.580 -8.857 1.00 0.00 C ATOM 180 O ASP A 12 -1.838 6.598 -8.162 1.00 0.00 O ATOM 181 CB ASP A 12 -3.959 6.551 -9.917 1.00 0.00 C ATOM 182 CG ASP A 12 -4.465 7.044 -11.259 1.00 0.00 C ATOM 183 OD1 ASP A 12 -5.239 6.309 -11.906 1.00 0.00 O ATOM 184 OD2 ASP A 12 -4.087 8.164 -11.662 1.00 0.00 O ATOM 0 H ASP A 12 -4.240 4.005 -9.600 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.268 5.716 -10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.788 6.121 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.588 7.397 -9.339 1.00 0.00 H new ATOM 189 N MET A 13 -1.155 4.499 -8.621 1.00 0.00 N ATOM 190 CA MET A 13 -0.209 4.442 -7.510 1.00 0.00 C ATOM 191 C MET A 13 1.186 4.068 -8.002 1.00 0.00 C ATOM 192 O MET A 13 1.330 3.350 -8.993 1.00 0.00 O ATOM 193 CB MET A 13 -0.680 3.427 -6.464 1.00 0.00 C ATOM 194 CG MET A 13 -1.368 4.062 -5.267 1.00 0.00 C ATOM 195 SD MET A 13 -2.503 2.934 -4.436 1.00 0.00 S ATOM 196 CE MET A 13 -1.377 2.052 -3.358 1.00 0.00 C ATOM 0 H MET A 13 -1.190 3.651 -9.186 1.00 0.00 H new ATOM 0 HA MET A 13 -0.162 5.431 -7.054 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.366 2.723 -6.936 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.178 2.851 -6.116 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.613 4.400 -4.557 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.916 4.946 -5.595 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.946 1.516 -2.598 1.00 0.00 H new ATOM 0 HE2 MET A 13 -0.794 1.341 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.705 2.761 -2.875 1.00 0.00 H new ATOM 206 N THR A 14 2.211 4.553 -7.301 1.00 0.00 N ATOM 207 CA THR A 14 3.594 4.260 -7.668 1.00 0.00 C ATOM 208 C THR A 14 4.136 3.095 -6.847 1.00 0.00 C ATOM 209 O THR A 14 4.306 3.207 -5.631 1.00 0.00 O ATOM 210 CB THR A 14 4.483 5.493 -7.472 1.00 0.00 C ATOM 211 OG1 THR A 14 3.862 6.656 -7.995 1.00 0.00 O ATOM 212 CG2 THR A 14 5.839 5.358 -8.134 1.00 0.00 C ATOM 0 H THR A 14 2.109 5.148 -6.479 1.00 0.00 H new ATOM 0 HA THR A 14 3.607 3.983 -8.722 1.00 0.00 H new ATOM 0 HB THR A 14 4.625 5.578 -6.395 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.447 7.430 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.421 6.263 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.365 4.501 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.708 5.213 -9.206 1.00 0.00 H new ATOM 220 N PHE A 15 4.413 1.980 -7.520 1.00 0.00 N ATOM 221 CA PHE A 15 4.945 0.796 -6.851 1.00 0.00 C ATOM 222 C PHE A 15 6.445 0.940 -6.623 1.00 0.00 C ATOM 223 O PHE A 15 7.194 1.276 -7.541 1.00 0.00 O ATOM 224 CB PHE A 15 4.652 -0.476 -7.662 1.00 0.00 C ATOM 225 CG PHE A 15 5.005 -0.380 -9.125 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.298 -0.629 -9.561 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.041 -0.043 -10.062 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.621 -0.544 -10.903 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.358 0.043 -11.405 1.00 0.00 C ATOM 230 CZ PHE A 15 5.649 -0.207 -11.825 1.00 0.00 C ATOM 0 H PHE A 15 4.278 1.872 -8.525 1.00 0.00 H new ATOM 0 HA PHE A 15 4.449 0.706 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.203 -1.307 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.592 -0.713 -7.572 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.062 -0.892 -8.844 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.030 0.155 -9.739 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.631 -0.741 -11.230 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.597 0.305 -12.125 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.899 -0.139 -12.873 1.00 0.00 H new ATOM 240 N GLU A 16 6.875 0.687 -5.391 1.00 0.00 N ATOM 241 CA GLU A 16 8.283 0.787 -5.033 1.00 0.00 C ATOM 242 C GLU A 16 8.887 -0.600 -4.835 1.00 0.00 C ATOM 243 O GLU A 16 8.773 -1.189 -3.757 1.00 0.00 O ATOM 244 CB GLU A 16 8.447 1.617 -3.760 1.00 0.00 C ATOM 245 CG GLU A 16 9.679 2.506 -3.768 1.00 0.00 C ATOM 246 CD GLU A 16 9.502 3.759 -2.933 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.285 3.632 -1.708 1.00 0.00 O ATOM 248 OE2 GLU A 16 9.578 4.867 -3.503 1.00 0.00 O ATOM 0 H GLU A 16 6.265 0.410 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 16 8.811 1.282 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.562 2.238 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.499 0.946 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.532 1.941 -3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.912 2.788 -4.795 1.00 0.00 H new ATOM 255 N PRO A 17 9.535 -1.147 -5.882 1.00 0.00 N ATOM 256 CA PRO A 17 10.155 -2.476 -5.824 1.00 0.00 C ATOM 257 C PRO A 17 11.435 -2.492 -4.981 1.00 0.00 C ATOM 258 O PRO A 17 12.517 -2.805 -5.482 1.00 0.00 O ATOM 259 CB PRO A 17 10.467 -2.782 -7.292 1.00 0.00 C ATOM 260 CG PRO A 17 10.628 -1.447 -7.935 1.00 0.00 C ATOM 261 CD PRO A 17 9.702 -0.513 -7.207 1.00 0.00 C ATOM 0 HA PRO A 17 9.504 -3.211 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.374 -3.379 -7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.662 -3.350 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.660 -1.104 -7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.379 -1.494 -8.995 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.128 0.487 -7.122 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.748 -0.410 -7.725 1.00 0.00 H new ATOM 269 N GLU A 18 11.302 -2.155 -3.698 1.00 0.00 N ATOM 270 CA GLU A 18 12.442 -2.131 -2.783 1.00 0.00 C ATOM 271 C GLU A 18 12.160 -2.974 -1.539 1.00 0.00 C ATOM 272 O GLU A 18 13.006 -3.760 -1.108 1.00 0.00 O ATOM 273 CB GLU A 18 12.784 -0.688 -2.387 1.00 0.00 C ATOM 274 CG GLU A 18 11.660 0.044 -1.663 1.00 0.00 C ATOM 275 CD GLU A 18 12.027 1.472 -1.298 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.551 2.196 -2.171 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.789 1.866 -0.137 1.00 0.00 O ATOM 0 H GLU A 18 10.414 -1.895 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 18 13.300 -2.562 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.667 -0.698 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.047 -0.129 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.772 0.052 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.401 -0.503 -0.756 1.00 0.00 H new ATOM 284 N ASN A 19 10.964 -2.809 -0.974 1.00 0.00 N ATOM 285 CA ASN A 19 10.562 -3.556 0.213 1.00 0.00 C ATOM 286 C ASN A 19 9.059 -3.853 0.194 1.00 0.00 C ATOM 287 O ASN A 19 8.410 -3.892 1.241 1.00 0.00 O ATOM 288 CB ASN A 19 10.934 -2.778 1.478 1.00 0.00 C ATOM 289 CG ASN A 19 11.479 -3.679 2.571 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.944 -4.759 2.825 1.00 0.00 O ATOM 291 ND2 ASN A 19 12.547 -3.241 3.227 1.00 0.00 N ATOM 0 H ASN A 19 10.256 -2.162 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 19 11.094 -4.507 0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.678 -2.021 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.055 -2.251 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.955 -3.805 3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.960 -2.340 2.985 1.00 0.00 H new ATOM 298 N GLN A 20 8.514 -4.065 -1.009 1.00 0.00 N ATOM 299 CA GLN A 20 7.091 -4.363 -1.182 1.00 0.00 C ATOM 300 C GLN A 20 6.217 -3.250 -0.599 1.00 0.00 C ATOM 301 O GLN A 20 5.377 -3.491 0.272 1.00 0.00 O ATOM 302 CB GLN A 20 6.743 -5.708 -0.537 1.00 0.00 C ATOM 303 CG GLN A 20 7.441 -6.893 -1.184 1.00 0.00 C ATOM 304 CD GLN A 20 6.532 -8.099 -1.320 1.00 0.00 C ATOM 305 OE1 GLN A 20 5.700 -8.164 -2.225 1.00 0.00 O ATOM 306 NE2 GLN A 20 6.684 -9.062 -0.419 1.00 0.00 N ATOM 0 H GLN A 20 9.042 -4.035 -1.881 1.00 0.00 H new ATOM 0 HA GLN A 20 6.889 -4.424 -2.251 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.008 -5.674 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.665 -5.859 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.804 -6.603 -2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.314 -7.165 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.386 -8.968 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.099 -9.896 -0.461 1.00 0.00 H new ATOM 315 N MET A 21 6.417 -2.030 -1.095 1.00 0.00 N ATOM 316 CA MET A 21 5.649 -0.878 -0.636 1.00 0.00 C ATOM 317 C MET A 21 5.216 -0.015 -1.816 1.00 0.00 C ATOM 318 O MET A 21 5.888 0.024 -2.848 1.00 0.00 O ATOM 319 CB MET A 21 6.464 -0.038 0.354 1.00 0.00 C ATOM 320 CG MET A 21 7.813 0.417 -0.183 1.00 0.00 C ATOM 321 SD MET A 21 8.834 1.200 1.081 1.00 0.00 S ATOM 322 CE MET A 21 7.831 2.623 1.504 1.00 0.00 C ATOM 0 H MET A 21 7.106 -1.816 -1.816 1.00 0.00 H new ATOM 0 HA MET A 21 4.760 -1.250 -0.127 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.882 0.840 0.635 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.623 -0.619 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.345 -0.441 -0.594 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.656 1.117 -1.003 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.428 3.330 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.479 3.104 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.976 2.302 2.098 1.00 0.00 H new ATOM 332 N PHE A 22 4.091 0.674 -1.655 1.00 0.00 N ATOM 333 CA PHE A 22 3.562 1.537 -2.705 1.00 0.00 C ATOM 334 C PHE A 22 3.228 2.916 -2.142 1.00 0.00 C ATOM 335 O PHE A 22 2.477 3.034 -1.172 1.00 0.00 O ATOM 336 CB PHE A 22 2.313 0.910 -3.336 1.00 0.00 C ATOM 337 CG PHE A 22 2.502 -0.517 -3.780 1.00 0.00 C ATOM 338 CD1 PHE A 22 2.630 -1.538 -2.850 1.00 0.00 C ATOM 339 CD2 PHE A 22 2.549 -0.835 -5.127 1.00 0.00 C ATOM 340 CE1 PHE A 22 2.801 -2.847 -3.257 1.00 0.00 C ATOM 341 CE2 PHE A 22 2.719 -2.143 -5.540 1.00 0.00 C ATOM 342 CZ PHE A 22 2.846 -3.150 -4.604 1.00 0.00 C ATOM 0 H PHE A 22 3.527 0.651 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 22 4.325 1.648 -3.476 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.495 0.951 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.012 1.510 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.596 -1.307 -1.796 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.452 -0.051 -5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.899 -3.633 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.752 -2.377 -6.594 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.980 -4.173 -4.924 1.00 0.00 H new ATOM 352 N THR A 23 3.798 3.953 -2.749 1.00 0.00 N ATOM 353 CA THR A 23 3.569 5.324 -2.304 1.00 0.00 C ATOM 354 C THR A 23 2.950 6.163 -3.418 1.00 0.00 C ATOM 355 O THR A 23 3.360 6.073 -4.576 1.00 0.00 O ATOM 356 CB THR A 23 4.884 5.957 -1.839 1.00 0.00 C ATOM 357 OG1 THR A 23 5.855 5.919 -2.872 1.00 0.00 O ATOM 358 CG2 THR A 23 5.481 5.278 -0.623 1.00 0.00 C ATOM 0 H THR A 23 4.422 3.870 -3.551 1.00 0.00 H new ATOM 0 HA THR A 23 2.871 5.297 -1.467 1.00 0.00 H new ATOM 0 HB THR A 23 4.630 6.983 -1.574 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.686 6.330 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.410 5.776 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.778 5.336 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.685 4.232 -0.854 1.00 0.00 H new ATOM 366 N TYR A 24 1.962 6.982 -3.060 1.00 0.00 N ATOM 367 CA TYR A 24 1.290 7.839 -4.032 1.00 0.00 C ATOM 368 C TYR A 24 1.191 9.278 -3.523 1.00 0.00 C ATOM 369 O TYR A 24 1.087 9.511 -2.317 1.00 0.00 O ATOM 370 CB TYR A 24 -0.105 7.294 -4.373 1.00 0.00 C ATOM 371 CG TYR A 24 -0.912 6.818 -3.179 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.578 5.648 -2.504 1.00 0.00 C ATOM 373 CD2 TYR A 24 -2.017 7.535 -2.736 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.318 5.211 -1.422 1.00 0.00 C ATOM 375 CE2 TYR A 24 -2.763 7.103 -1.655 1.00 0.00 C ATOM 376 CZ TYR A 24 -2.410 5.941 -1.002 1.00 0.00 C ATOM 377 OH TYR A 24 -3.149 5.508 0.075 1.00 0.00 O ATOM 0 H TYR A 24 1.611 7.069 -2.106 1.00 0.00 H new ATOM 0 HA TYR A 24 1.890 7.840 -4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.668 8.073 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.005 6.466 -5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.274 5.071 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.298 8.445 -3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.043 4.302 -0.908 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.618 7.673 -1.324 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.781 5.890 0.899 1.00 0.00 H new ATOM 387 N PRO A 25 1.231 10.263 -4.444 1.00 0.00 N ATOM 388 CA PRO A 25 1.153 11.688 -4.092 1.00 0.00 C ATOM 389 C PRO A 25 -0.050 12.014 -3.212 1.00 0.00 C ATOM 390 O PRO A 25 -1.192 11.723 -3.571 1.00 0.00 O ATOM 391 CB PRO A 25 1.021 12.385 -5.449 1.00 0.00 C ATOM 392 CG PRO A 25 1.648 11.447 -6.420 1.00 0.00 C ATOM 393 CD PRO A 25 1.362 10.064 -5.902 1.00 0.00 C ATOM 0 HA PRO A 25 2.020 12.005 -3.513 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -0.024 12.572 -5.698 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.527 13.351 -5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.233 11.584 -7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.721 11.622 -6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.450 9.654 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.168 9.371 -6.142 1.00 0.00 H new ATOM 401 N CYS A 26 0.218 12.625 -2.061 1.00 0.00 N ATOM 402 CA CYS A 26 -0.835 13.004 -1.126 1.00 0.00 C ATOM 403 C CYS A 26 -1.251 14.454 -1.355 1.00 0.00 C ATOM 404 O CYS A 26 -0.405 15.310 -1.623 1.00 0.00 O ATOM 405 CB CYS A 26 -0.357 12.821 0.317 1.00 0.00 C ATOM 406 SG CYS A 26 -1.588 13.277 1.581 1.00 0.00 S ATOM 0 H CYS A 26 1.160 12.869 -1.754 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.696 12.358 -1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.073 11.779 0.463 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.541 13.421 0.468 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.518 12.370 1.628 1.00 0.00 H new ATOM 411 N PRO A 27 -2.563 14.750 -1.251 1.00 0.00 N ATOM 412 CA PRO A 27 -3.091 16.105 -1.446 1.00 0.00 C ATOM 413 C PRO A 27 -2.314 17.171 -0.673 1.00 0.00 C ATOM 414 O PRO A 27 -2.233 18.320 -1.108 1.00 0.00 O ATOM 415 CB PRO A 27 -4.519 16.002 -0.914 1.00 0.00 C ATOM 416 CG PRO A 27 -4.898 14.582 -1.139 1.00 0.00 C ATOM 417 CD PRO A 27 -3.637 13.784 -0.938 1.00 0.00 C ATOM 0 HA PRO A 27 -3.020 16.415 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.569 16.263 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.189 16.680 -1.442 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.674 14.269 -0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.296 14.438 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.556 13.411 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.601 12.917 -1.597 1.00 0.00 H new ATOM 425 N CYS A 28 -1.744 16.789 0.472 1.00 0.00 N ATOM 426 CA CYS A 28 -0.978 17.726 1.290 1.00 0.00 C ATOM 427 C CYS A 28 0.413 17.974 0.698 1.00 0.00 C ATOM 428 O CYS A 28 0.896 19.108 0.694 1.00 0.00 O ATOM 429 CB CYS A 28 -0.870 17.219 2.735 1.00 0.00 C ATOM 430 SG CYS A 28 0.583 16.171 3.070 1.00 0.00 S ATOM 0 H CYS A 28 -1.799 15.843 0.850 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.511 18.677 1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.843 18.078 3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.771 16.655 2.976 1.00 0.00 H new ATOM 0 HG CYS A 28 0.331 14.950 2.703 1.00 0.00 H new ATOM 435 N GLY A 29 1.053 16.916 0.194 1.00 0.00 N ATOM 436 CA GLY A 29 2.375 17.064 -0.392 1.00 0.00 C ATOM 437 C GLY A 29 3.219 15.804 -0.290 1.00 0.00 C ATOM 438 O GLY A 29 3.864 15.406 -1.261 1.00 0.00 O ATOM 0 H GLY A 29 0.681 15.966 0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.271 17.340 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.896 17.883 0.104 1.00 0.00 H new ATOM 442 N ASP A 30 3.220 15.177 0.886 1.00 0.00 N ATOM 443 CA ASP A 30 3.997 13.957 1.107 1.00 0.00 C ATOM 444 C ASP A 30 3.440 12.791 0.284 1.00 0.00 C ATOM 445 O ASP A 30 2.492 12.955 -0.484 1.00 0.00 O ATOM 446 CB ASP A 30 4.010 13.597 2.598 1.00 0.00 C ATOM 447 CG ASP A 30 5.087 14.335 3.379 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.049 14.836 2.756 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.967 14.411 4.619 1.00 0.00 O ATOM 0 H ASP A 30 2.692 15.493 1.700 1.00 0.00 H new ATOM 0 HA ASP A 30 5.020 14.144 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.035 13.825 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.163 12.523 2.705 1.00 0.00 H new ATOM 454 N ARG A 31 4.043 11.615 0.443 1.00 0.00 N ATOM 455 CA ARG A 31 3.612 10.430 -0.287 1.00 0.00 C ATOM 456 C ARG A 31 2.972 9.415 0.654 1.00 0.00 C ATOM 457 O ARG A 31 3.559 9.050 1.674 1.00 0.00 O ATOM 458 CB ARG A 31 4.803 9.791 -1.007 1.00 0.00 C ATOM 459 CG ARG A 31 4.536 9.476 -2.470 1.00 0.00 C ATOM 460 CD ARG A 31 4.289 10.740 -3.280 1.00 0.00 C ATOM 461 NE ARG A 31 5.525 11.288 -3.837 1.00 0.00 N ATOM 462 CZ ARG A 31 6.262 12.233 -3.245 1.00 0.00 C ATOM 463 NH1 ARG A 31 5.893 12.747 -2.075 1.00 0.00 N ATOM 464 NH2 ARG A 31 7.375 12.664 -3.827 1.00 0.00 N ATOM 0 H ARG A 31 4.831 11.459 1.071 1.00 0.00 H new ATOM 0 HA ARG A 31 2.869 10.736 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.659 10.462 -0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.077 8.871 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.386 8.936 -2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.671 8.818 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.593 10.521 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.814 11.489 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 31 5.845 10.926 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.040 12.420 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.463 13.468 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.666 12.274 -4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.939 13.385 -3.377 1.00 0.00 H new ATOM 478 N PHE A 32 1.769 8.962 0.304 1.00 0.00 N ATOM 479 CA PHE A 32 1.050 7.984 1.117 1.00 0.00 C ATOM 480 C PHE A 32 1.801 6.656 1.153 1.00 0.00 C ATOM 481 O PHE A 32 1.605 5.797 0.290 1.00 0.00 O ATOM 482 CB PHE A 32 -0.361 7.768 0.567 1.00 0.00 C ATOM 483 CG PHE A 32 -1.376 8.745 1.089 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.699 8.777 2.436 1.00 0.00 C ATOM 485 CD2 PHE A 32 -2.015 9.624 0.230 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.638 9.669 2.916 1.00 0.00 C ATOM 487 CE2 PHE A 32 -2.957 10.516 0.704 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.269 10.539 2.049 1.00 0.00 C ATOM 0 H PHE A 32 1.272 9.257 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 32 0.980 8.373 2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.331 7.837 -0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.685 6.757 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.211 8.097 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.774 9.612 -0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.879 9.686 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.449 11.195 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.005 11.236 2.422 1.00 0.00 H new ATOM 498 N GLN A 33 2.667 6.495 2.151 1.00 0.00 N ATOM 499 CA GLN A 33 3.454 5.272 2.293 1.00 0.00 C ATOM 500 C GLN A 33 2.632 4.157 2.936 1.00 0.00 C ATOM 501 O GLN A 33 2.068 4.332 4.017 1.00 0.00 O ATOM 502 CB GLN A 33 4.715 5.536 3.122 1.00 0.00 C ATOM 503 CG GLN A 33 4.430 6.005 4.542 1.00 0.00 C ATOM 504 CD GLN A 33 5.391 7.083 5.004 1.00 0.00 C ATOM 505 OE1 GLN A 33 5.308 8.230 4.566 1.00 0.00 O ATOM 506 NE2 GLN A 33 6.310 6.721 5.893 1.00 0.00 N ATOM 0 H GLN A 33 2.841 7.195 2.872 1.00 0.00 H new ATOM 0 HA GLN A 33 3.747 4.950 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.309 4.623 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.321 6.288 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.410 6.385 4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.491 5.154 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.343 5.759 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.983 7.405 6.239 1.00 0.00 H new ATOM 515 N ILE A 34 2.575 3.008 2.264 1.00 0.00 N ATOM 516 CA ILE A 34 1.829 1.860 2.769 1.00 0.00 C ATOM 517 C ILE A 34 2.282 0.567 2.088 1.00 0.00 C ATOM 518 O ILE A 34 2.429 0.514 0.865 1.00 0.00 O ATOM 519 CB ILE A 34 0.306 2.049 2.575 1.00 0.00 C ATOM 520 CG1 ILE A 34 -0.469 0.898 3.224 1.00 0.00 C ATOM 521 CG2 ILE A 34 -0.040 2.166 1.096 1.00 0.00 C ATOM 522 CD1 ILE A 34 -1.741 1.343 3.914 1.00 0.00 C ATOM 0 H ILE A 34 3.037 2.849 1.369 1.00 0.00 H new ATOM 0 HA ILE A 34 2.035 1.786 3.837 1.00 0.00 H new ATOM 0 HB ILE A 34 0.013 2.977 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.718 0.161 2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.174 0.400 3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.116 2.298 0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.478 3.024 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.270 1.259 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.239 0.478 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.498 2.058 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.403 1.814 3.188 1.00 0.00 H new ATOM 534 N TYR A 35 2.503 -0.473 2.890 1.00 0.00 N ATOM 535 CA TYR A 35 2.940 -1.766 2.371 1.00 0.00 C ATOM 536 C TYR A 35 1.740 -2.630 1.989 1.00 0.00 C ATOM 537 O TYR A 35 0.693 -2.576 2.639 1.00 0.00 O ATOM 538 CB TYR A 35 3.793 -2.499 3.412 1.00 0.00 C ATOM 539 CG TYR A 35 5.113 -1.823 3.712 1.00 0.00 C ATOM 540 CD1 TYR A 35 5.178 -0.730 4.567 1.00 0.00 C ATOM 541 CD2 TYR A 35 6.293 -2.280 3.141 1.00 0.00 C ATOM 542 CE1 TYR A 35 6.382 -0.112 4.844 1.00 0.00 C ATOM 543 CE2 TYR A 35 7.500 -1.669 3.413 1.00 0.00 C ATOM 544 CZ TYR A 35 7.540 -0.585 4.264 1.00 0.00 C ATOM 545 OH TYR A 35 8.742 0.026 4.538 1.00 0.00 O ATOM 0 H TYR A 35 2.386 -0.444 3.903 1.00 0.00 H new ATOM 0 HA TYR A 35 3.541 -1.586 1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.223 -2.587 4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.987 -3.512 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.272 -0.357 5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.266 -3.128 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.416 0.737 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.409 -2.038 2.961 1.00 0.00 H new ATOM 0 HH TYR A 35 9.055 0.504 3.742 1.00 0.00 H new ATOM 555 N LEU A 36 1.901 -3.430 0.933 1.00 0.00 N ATOM 556 CA LEU A 36 0.830 -4.314 0.465 1.00 0.00 C ATOM 557 C LEU A 36 0.383 -5.275 1.569 1.00 0.00 C ATOM 558 O LEU A 36 -0.793 -5.628 1.648 1.00 0.00 O ATOM 559 CB LEU A 36 1.274 -5.102 -0.774 1.00 0.00 C ATOM 560 CG LEU A 36 2.570 -5.906 -0.622 1.00 0.00 C ATOM 561 CD1 LEU A 36 2.289 -7.284 -0.036 1.00 0.00 C ATOM 562 CD2 LEU A 36 3.268 -6.033 -1.968 1.00 0.00 C ATOM 0 H LEU A 36 2.760 -3.484 0.386 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.019 -3.686 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.473 -5.788 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.397 -4.403 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 36 3.226 -5.374 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.224 -7.835 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.827 -7.175 0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.614 -7.829 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.188 -6.606 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.611 -6.544 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.506 -5.040 -2.349 1.00 0.00 H new ATOM 574 N ASP A 37 1.325 -5.685 2.421 1.00 0.00 N ATOM 575 CA ASP A 37 1.020 -6.596 3.526 1.00 0.00 C ATOM 576 C ASP A 37 0.083 -5.932 4.533 1.00 0.00 C ATOM 577 O ASP A 37 -0.823 -6.575 5.066 1.00 0.00 O ATOM 578 CB ASP A 37 2.305 -7.050 4.229 1.00 0.00 C ATOM 579 CG ASP A 37 3.256 -5.902 4.511 1.00 0.00 C ATOM 580 OD1 ASP A 37 3.089 -5.234 5.551 1.00 0.00 O ATOM 581 OD2 ASP A 37 4.164 -5.669 3.687 1.00 0.00 O ATOM 0 H ASP A 37 2.303 -5.401 2.367 1.00 0.00 H new ATOM 0 HA ASP A 37 0.522 -7.471 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.047 -7.541 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.810 -7.791 3.610 1.00 0.00 H new ATOM 586 N ASP A 38 0.304 -4.642 4.788 1.00 0.00 N ATOM 587 CA ASP A 38 -0.528 -3.896 5.729 1.00 0.00 C ATOM 588 C ASP A 38 -1.980 -3.853 5.255 1.00 0.00 C ATOM 589 O ASP A 38 -2.902 -4.104 6.030 1.00 0.00 O ATOM 590 CB ASP A 38 0.001 -2.470 5.911 1.00 0.00 C ATOM 591 CG ASP A 38 -0.575 -1.791 7.140 1.00 0.00 C ATOM 592 OD1 ASP A 38 -0.586 -2.422 8.220 1.00 0.00 O ATOM 593 OD2 ASP A 38 -1.014 -0.628 7.024 1.00 0.00 O ATOM 0 H ASP A 38 1.049 -4.095 4.357 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.487 -4.411 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.088 -2.496 5.990 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.241 -1.880 5.027 1.00 0.00 H new ATOM 598 N MET A 39 -2.171 -3.536 3.974 1.00 0.00 N ATOM 599 CA MET A 39 -3.510 -3.463 3.391 1.00 0.00 C ATOM 600 C MET A 39 -4.093 -4.859 3.170 1.00 0.00 C ATOM 601 O MET A 39 -5.305 -5.056 3.276 1.00 0.00 O ATOM 602 CB MET A 39 -3.473 -2.701 2.066 1.00 0.00 C ATOM 603 CG MET A 39 -3.120 -1.231 2.216 1.00 0.00 C ATOM 604 SD MET A 39 -2.831 -0.419 0.632 1.00 0.00 S ATOM 605 CE MET A 39 -1.418 -1.340 0.030 1.00 0.00 C ATOM 0 H MET A 39 -1.416 -3.326 3.321 1.00 0.00 H new ATOM 0 HA MET A 39 -4.151 -2.930 4.094 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.747 -3.174 1.405 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.446 -2.784 1.582 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.927 -0.719 2.740 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.228 -1.137 2.836 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.874 -0.738 -0.698 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.760 -1.583 0.864 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.759 -2.261 -0.443 1.00 0.00 H new ATOM 615 N PHE A 40 -3.223 -5.820 2.858 1.00 0.00 N ATOM 616 CA PHE A 40 -3.642 -7.201 2.618 1.00 0.00 C ATOM 617 C PHE A 40 -4.391 -7.765 3.826 1.00 0.00 C ATOM 618 O PHE A 40 -5.367 -8.499 3.670 1.00 0.00 O ATOM 619 CB PHE A 40 -2.419 -8.067 2.300 1.00 0.00 C ATOM 620 CG PHE A 40 -2.739 -9.500 1.962 1.00 0.00 C ATOM 621 CD1 PHE A 40 -3.767 -9.817 1.085 1.00 0.00 C ATOM 622 CD2 PHE A 40 -1.999 -10.530 2.519 1.00 0.00 C ATOM 623 CE1 PHE A 40 -4.049 -11.135 0.775 1.00 0.00 C ATOM 624 CE2 PHE A 40 -2.276 -11.848 2.211 1.00 0.00 C ATOM 625 CZ PHE A 40 -3.302 -12.151 1.338 1.00 0.00 C ATOM 0 H PHE A 40 -2.219 -5.666 2.765 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.321 -7.212 1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.881 -7.621 1.463 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.745 -8.051 3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.353 -9.026 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.195 -10.300 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.853 -11.370 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.690 -12.641 2.653 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.520 -13.181 1.096 1.00 0.00 H new ATOM 635 N GLU A 41 -3.931 -7.411 5.027 1.00 0.00 N ATOM 636 CA GLU A 41 -4.566 -7.876 6.259 1.00 0.00 C ATOM 637 C GLU A 41 -6.018 -7.407 6.334 1.00 0.00 C ATOM 638 O GLU A 41 -6.891 -8.134 6.810 1.00 0.00 O ATOM 639 CB GLU A 41 -3.791 -7.373 7.480 1.00 0.00 C ATOM 640 CG GLU A 41 -2.621 -8.263 7.870 1.00 0.00 C ATOM 641 CD GLU A 41 -1.763 -7.649 8.958 1.00 0.00 C ATOM 642 OE1 GLU A 41 -2.243 -7.544 10.107 1.00 0.00 O ATOM 643 OE2 GLU A 41 -0.608 -7.274 8.662 1.00 0.00 O ATOM 0 H GLU A 41 -3.123 -6.805 5.172 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.555 -8.966 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.420 -6.369 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.474 -7.294 8.326 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.999 -9.227 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.006 -8.455 6.991 1.00 0.00 H new ATOM 650 N GLY A 42 -6.267 -6.187 5.858 1.00 0.00 N ATOM 651 CA GLY A 42 -7.613 -5.639 5.874 1.00 0.00 C ATOM 652 C GLY A 42 -7.632 -4.138 6.110 1.00 0.00 C ATOM 653 O GLY A 42 -8.395 -3.648 6.945 1.00 0.00 O ATOM 0 H GLY A 42 -5.559 -5.569 5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.102 -5.860 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.193 -6.133 6.654 1.00 0.00 H new ATOM 657 N GLU A 43 -6.791 -3.408 5.376 1.00 0.00 N ATOM 658 CA GLU A 43 -6.711 -1.955 5.511 1.00 0.00 C ATOM 659 C GLU A 43 -7.219 -1.256 4.253 1.00 0.00 C ATOM 660 O GLU A 43 -7.075 -1.773 3.143 1.00 0.00 O ATOM 661 CB GLU A 43 -5.270 -1.528 5.791 1.00 0.00 C ATOM 662 CG GLU A 43 -5.156 -0.357 6.754 1.00 0.00 C ATOM 663 CD GLU A 43 -4.834 -0.794 8.170 1.00 0.00 C ATOM 664 OE1 GLU A 43 -3.760 -1.396 8.378 1.00 0.00 O ATOM 665 OE2 GLU A 43 -5.657 -0.532 9.073 1.00 0.00 O ATOM 0 H GLU A 43 -6.155 -3.801 4.682 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.344 -1.662 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.721 -2.377 6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.790 -1.261 4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.380 0.323 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.093 0.201 6.754 1.00 0.00 H new ATOM 672 N LYS A 44 -7.806 -0.074 4.436 1.00 0.00 N ATOM 673 CA LYS A 44 -8.336 0.709 3.320 1.00 0.00 C ATOM 674 C LYS A 44 -8.223 2.210 3.598 1.00 0.00 C ATOM 675 O LYS A 44 -7.753 2.971 2.750 1.00 0.00 O ATOM 676 CB LYS A 44 -9.797 0.339 3.052 1.00 0.00 C ATOM 677 CG LYS A 44 -9.962 -0.830 2.095 1.00 0.00 C ATOM 678 CD LYS A 44 -11.383 -1.373 2.110 1.00 0.00 C ATOM 679 CE LYS A 44 -11.496 -2.617 2.979 1.00 0.00 C ATOM 680 NZ LYS A 44 -12.871 -3.192 2.955 1.00 0.00 N ATOM 0 H LYS A 44 -7.927 0.364 5.349 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.741 0.475 2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.281 0.095 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.314 1.208 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.704 -0.512 1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.266 -1.624 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.063 -0.606 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.694 -1.609 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.784 -3.366 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.225 -2.368 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.904 -4.038 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.548 -2.487 3.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.121 -3.454 1.980 1.00 0.00 H new ATOM 694 N VAL A 45 -8.655 2.626 4.789 1.00 0.00 N ATOM 695 CA VAL A 45 -8.603 4.032 5.178 1.00 0.00 C ATOM 696 C VAL A 45 -7.276 4.357 5.863 1.00 0.00 C ATOM 697 O VAL A 45 -7.124 4.160 7.070 1.00 0.00 O ATOM 698 CB VAL A 45 -9.767 4.411 6.123 1.00 0.00 C ATOM 699 CG1 VAL A 45 -9.792 5.913 6.373 1.00 0.00 C ATOM 700 CG2 VAL A 45 -11.100 3.938 5.558 1.00 0.00 C ATOM 0 H VAL A 45 -9.045 2.007 5.500 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.695 4.616 4.262 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.605 3.909 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.619 6.157 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.852 6.221 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.923 6.437 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.903 4.216 6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.270 4.405 4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.082 2.854 5.441 1.00 0.00 H new ATOM 710 N ALA A 46 -6.318 4.851 5.081 1.00 0.00 N ATOM 711 CA ALA A 46 -5.003 5.201 5.609 1.00 0.00 C ATOM 712 C ALA A 46 -4.954 6.665 6.043 1.00 0.00 C ATOM 713 O ALA A 46 -5.767 7.481 5.601 1.00 0.00 O ATOM 714 CB ALA A 46 -3.927 4.914 4.572 1.00 0.00 C ATOM 0 H ALA A 46 -6.429 5.017 4.081 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.815 4.586 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.951 5.179 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.939 3.854 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.119 5.503 3.675 1.00 0.00 H new ATOM 720 N VAL A 47 -3.995 6.991 6.912 1.00 0.00 N ATOM 721 CA VAL A 47 -3.839 8.355 7.409 1.00 0.00 C ATOM 722 C VAL A 47 -2.417 8.868 7.190 1.00 0.00 C ATOM 723 O VAL A 47 -1.443 8.213 7.565 1.00 0.00 O ATOM 724 CB VAL A 47 -4.196 8.454 8.911 1.00 0.00 C ATOM 725 CG1 VAL A 47 -3.270 7.586 9.755 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.152 9.902 9.379 1.00 0.00 C ATOM 0 H VAL A 47 -3.316 6.327 7.285 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.530 8.978 6.841 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.212 8.082 9.040 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.545 7.676 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.362 6.546 9.443 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.240 7.915 9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.406 9.950 10.438 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.150 10.303 9.228 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.869 10.491 8.807 1.00 0.00 H new ATOM 736 N CYS A 48 -2.309 10.047 6.581 1.00 0.00 N ATOM 737 CA CYS A 48 -1.009 10.658 6.314 1.00 0.00 C ATOM 738 C CYS A 48 -0.361 11.150 7.610 1.00 0.00 C ATOM 739 O CYS A 48 -1.028 11.750 8.453 1.00 0.00 O ATOM 740 CB CYS A 48 -1.164 11.826 5.333 1.00 0.00 C ATOM 741 SG CYS A 48 0.385 12.712 4.960 1.00 0.00 S ATOM 0 H CYS A 48 -3.106 10.598 6.263 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.363 9.901 5.870 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.585 11.448 4.401 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.883 12.535 5.743 1.00 0.00 H new ATOM 0 HG CYS A 48 0.113 13.816 4.330 1.00 0.00 H new ATOM 746 N PRO A 49 0.955 10.906 7.786 1.00 0.00 N ATOM 747 CA PRO A 49 1.687 11.332 8.981 1.00 0.00 C ATOM 748 C PRO A 49 2.149 12.795 8.916 1.00 0.00 C ATOM 749 O PRO A 49 3.062 13.196 9.642 1.00 0.00 O ATOM 750 CB PRO A 49 2.888 10.389 8.992 1.00 0.00 C ATOM 751 CG PRO A 49 3.155 10.098 7.552 1.00 0.00 C ATOM 752 CD PRO A 49 1.830 10.194 6.833 1.00 0.00 C ATOM 0 HA PRO A 49 1.068 11.285 9.877 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.751 10.853 9.469 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.670 9.476 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.870 10.810 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.588 9.105 7.432 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.924 10.740 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.436 9.207 6.590 1.00 0.00 H new ATOM 760 N SER A 50 1.509 13.589 8.053 1.00 0.00 N ATOM 761 CA SER A 50 1.847 15.001 7.904 1.00 0.00 C ATOM 762 C SER A 50 0.590 15.861 8.020 1.00 0.00 C ATOM 763 O SER A 50 0.505 16.735 8.884 1.00 0.00 O ATOM 764 CB SER A 50 2.538 15.255 6.559 1.00 0.00 C ATOM 765 OG SER A 50 2.795 16.637 6.368 1.00 0.00 O ATOM 0 H SER A 50 0.752 13.273 7.447 1.00 0.00 H new ATOM 0 HA SER A 50 2.537 15.274 8.703 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.475 14.699 6.517 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.911 14.884 5.749 1.00 0.00 H new ATOM 0 HG SER A 50 3.237 16.771 5.504 1.00 0.00 H new ATOM 771 N CYS A 51 -0.386 15.602 7.149 1.00 0.00 N ATOM 772 CA CYS A 51 -1.641 16.352 7.162 1.00 0.00 C ATOM 773 C CYS A 51 -2.713 15.637 7.989 1.00 0.00 C ATOM 774 O CYS A 51 -3.619 16.279 8.526 1.00 0.00 O ATOM 775 CB CYS A 51 -2.144 16.577 5.733 1.00 0.00 C ATOM 776 SG CYS A 51 -2.724 15.068 4.892 1.00 0.00 S ATOM 0 H CYS A 51 -0.332 14.882 6.429 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.444 17.318 7.628 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.959 17.301 5.757 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.341 17.021 5.144 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.321 15.391 3.783 1.00 0.00 H new ATOM 781 N SER A 52 -2.607 14.309 8.085 1.00 0.00 N ATOM 782 CA SER A 52 -3.567 13.506 8.842 1.00 0.00 C ATOM 783 C SER A 52 -4.921 13.452 8.127 1.00 0.00 C ATOM 784 O SER A 52 -5.976 13.566 8.757 1.00 0.00 O ATOM 785 CB SER A 52 -3.731 14.065 10.260 1.00 0.00 C ATOM 786 OG SER A 52 -4.109 13.048 11.172 1.00 0.00 O ATOM 0 H SER A 52 -1.863 13.767 7.646 1.00 0.00 H new ATOM 0 HA SER A 52 -3.180 12.489 8.911 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.795 14.519 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.484 14.853 10.258 1.00 0.00 H new ATOM 0 HG SER A 52 -4.205 13.432 12.069 1.00 0.00 H new ATOM 792 N LEU A 53 -4.881 13.268 6.806 1.00 0.00 N ATOM 793 CA LEU A 53 -6.098 13.189 6.000 1.00 0.00 C ATOM 794 C LEU A 53 -6.552 11.737 5.851 1.00 0.00 C ATOM 795 O LEU A 53 -5.732 10.817 5.873 1.00 0.00 O ATOM 796 CB LEU A 53 -5.864 13.810 4.616 1.00 0.00 C ATOM 797 CG LEU A 53 -6.310 15.270 4.461 1.00 0.00 C ATOM 798 CD1 LEU A 53 -7.821 15.387 4.585 1.00 0.00 C ATOM 799 CD2 LEU A 53 -5.620 16.165 5.483 1.00 0.00 C ATOM 0 H LEU A 53 -4.017 13.171 6.272 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.882 13.749 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.801 13.747 4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.388 13.208 3.874 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.018 15.605 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.116 16.430 4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.297 14.789 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.135 15.025 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.955 17.194 5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.871 15.829 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.540 16.113 5.342 1.00 0.00 H new ATOM 811 N MET A 54 -7.862 11.539 5.702 1.00 0.00 N ATOM 812 CA MET A 54 -8.427 10.199 5.554 1.00 0.00 C ATOM 813 C MET A 54 -8.827 9.933 4.103 1.00 0.00 C ATOM 814 O MET A 54 -9.620 10.679 3.525 1.00 0.00 O ATOM 815 CB MET A 54 -9.644 10.029 6.471 1.00 0.00 C ATOM 816 CG MET A 54 -9.286 9.838 7.938 1.00 0.00 C ATOM 817 SD MET A 54 -10.735 9.547 8.972 1.00 0.00 S ATOM 818 CE MET A 54 -10.166 8.179 9.979 1.00 0.00 C ATOM 0 H MET A 54 -8.551 12.290 5.681 1.00 0.00 H new ATOM 0 HA MET A 54 -7.662 9.477 5.840 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.285 10.905 6.374 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.224 9.170 6.134 1.00 0.00 H new ATOM 0 HG2 MET A 54 -8.600 8.996 8.034 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.759 10.722 8.298 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.954 7.884 10.672 1.00 0.00 H new ATOM 0 HE2 MET A 54 -9.913 7.335 9.337 1.00 0.00 H new ATOM 0 HE3 MET A 54 -9.284 8.484 10.542 1.00 0.00 H new ATOM 828 N ILE A 55 -8.272 8.868 3.521 1.00 0.00 N ATOM 829 CA ILE A 55 -8.571 8.506 2.133 1.00 0.00 C ATOM 830 C ILE A 55 -8.835 7.007 1.980 1.00 0.00 C ATOM 831 O ILE A 55 -8.259 6.188 2.699 1.00 0.00 O ATOM 832 CB ILE A 55 -7.425 8.905 1.180 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.114 8.227 1.599 1.00 0.00 C ATOM 834 CG2 ILE A 55 -7.264 10.418 1.141 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.829 6.943 0.848 1.00 0.00 C ATOM 0 H ILE A 55 -7.615 8.242 3.987 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.472 9.058 1.866 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.677 8.564 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.289 8.921 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.150 8.013 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.451 10.680 0.464 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.190 10.874 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.035 10.785 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.887 6.519 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.635 6.231 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.760 7.153 -0.219 1.00 0.00 H new ATOM 847 N ASP A 56 -9.703 6.659 1.028 1.00 0.00 N ATOM 848 CA ASP A 56 -10.046 5.262 0.764 1.00 0.00 C ATOM 849 C ASP A 56 -9.320 4.746 -0.481 1.00 0.00 C ATOM 850 O ASP A 56 -9.817 4.883 -1.600 1.00 0.00 O ATOM 851 CB ASP A 56 -11.562 5.112 0.580 1.00 0.00 C ATOM 852 CG ASP A 56 -12.354 5.702 1.734 1.00 0.00 C ATOM 853 OD1 ASP A 56 -12.212 5.204 2.871 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.118 6.662 1.501 1.00 0.00 O ATOM 0 H ASP A 56 -10.182 7.329 0.426 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.728 4.669 1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.861 5.600 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.809 4.055 0.478 1.00 0.00 H new ATOM 859 N VAL A 57 -8.144 4.148 -0.282 1.00 0.00 N ATOM 860 CA VAL A 57 -7.365 3.611 -1.398 1.00 0.00 C ATOM 861 C VAL A 57 -7.754 2.163 -1.690 1.00 0.00 C ATOM 862 O VAL A 57 -7.768 1.318 -0.791 1.00 0.00 O ATOM 863 CB VAL A 57 -5.842 3.699 -1.136 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.439 2.861 0.070 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.061 3.272 -2.373 1.00 0.00 C ATOM 0 H VAL A 57 -7.713 4.024 0.634 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.596 4.226 -2.268 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.600 4.738 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.364 2.944 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.964 3.221 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.700 1.818 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.992 3.340 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.317 2.244 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.314 3.926 -3.207 1.00 0.00 H new ATOM 875 N VAL A 58 -8.074 1.884 -2.952 1.00 0.00 N ATOM 876 CA VAL A 58 -8.467 0.540 -3.362 1.00 0.00 C ATOM 877 C VAL A 58 -7.293 -0.221 -3.977 1.00 0.00 C ATOM 878 O VAL A 58 -6.533 0.328 -4.779 1.00 0.00 O ATOM 879 CB VAL A 58 -9.645 0.573 -4.362 1.00 0.00 C ATOM 880 CG1 VAL A 58 -9.257 1.297 -5.645 1.00 0.00 C ATOM 881 CG2 VAL A 58 -10.134 -0.838 -4.662 1.00 0.00 C ATOM 0 H VAL A 58 -8.069 2.570 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.790 0.019 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.462 1.128 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.105 1.304 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.970 2.322 -5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.418 0.783 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.963 -0.793 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.321 -1.421 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.468 -1.311 -3.739 1.00 0.00 H new ATOM 891 N PHE A 59 -7.155 -1.489 -3.591 1.00 0.00 N ATOM 892 CA PHE A 59 -6.080 -2.338 -4.094 1.00 0.00 C ATOM 893 C PHE A 59 -6.638 -3.609 -4.737 1.00 0.00 C ATOM 894 O PHE A 59 -7.829 -3.903 -4.620 1.00 0.00 O ATOM 895 CB PHE A 59 -5.113 -2.703 -2.959 1.00 0.00 C ATOM 896 CG PHE A 59 -5.750 -3.475 -1.831 1.00 0.00 C ATOM 897 CD1 PHE A 59 -6.089 -4.811 -1.987 1.00 0.00 C ATOM 898 CD2 PHE A 59 -6.004 -2.863 -0.613 1.00 0.00 C ATOM 899 CE1 PHE A 59 -6.669 -5.520 -0.951 1.00 0.00 C ATOM 900 CE2 PHE A 59 -6.585 -3.567 0.425 1.00 0.00 C ATOM 901 CZ PHE A 59 -6.917 -4.897 0.256 1.00 0.00 C ATOM 0 H PHE A 59 -7.778 -1.951 -2.929 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.538 -1.779 -4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.293 -3.292 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.678 -1.787 -2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.898 -5.303 -2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.745 -1.824 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.928 -6.560 -1.086 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.779 -3.077 1.368 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.370 -5.449 1.067 1.00 0.00 H new ATOM 911 N ASP A 60 -5.766 -4.361 -5.411 1.00 0.00 N ATOM 912 CA ASP A 60 -6.164 -5.604 -6.069 1.00 0.00 C ATOM 913 C ASP A 60 -5.627 -6.820 -5.318 1.00 0.00 C ATOM 914 O ASP A 60 -4.674 -6.712 -4.543 1.00 0.00 O ATOM 915 CB ASP A 60 -5.661 -5.627 -7.514 1.00 0.00 C ATOM 916 CG ASP A 60 -6.568 -6.426 -8.429 1.00 0.00 C ATOM 917 OD1 ASP A 60 -7.685 -5.950 -8.720 1.00 0.00 O ATOM 918 OD2 ASP A 60 -6.163 -7.532 -8.847 1.00 0.00 O ATOM 0 H ASP A 60 -4.778 -4.129 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.253 -5.648 -6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.584 -4.605 -7.885 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.658 -6.052 -7.540 1.00 0.00 H new ATOM 923 N LYS A 61 -6.238 -7.978 -5.559 1.00 0.00 N ATOM 924 CA LYS A 61 -5.817 -9.218 -4.910 1.00 0.00 C ATOM 925 C LYS A 61 -4.738 -9.928 -5.730 1.00 0.00 C ATOM 926 O LYS A 61 -3.805 -10.504 -5.168 1.00 0.00 O ATOM 927 CB LYS A 61 -7.014 -10.149 -4.701 1.00 0.00 C ATOM 928 CG LYS A 61 -6.982 -10.899 -3.376 1.00 0.00 C ATOM 929 CD LYS A 61 -7.620 -10.090 -2.254 1.00 0.00 C ATOM 930 CE LYS A 61 -8.288 -10.989 -1.221 1.00 0.00 C ATOM 931 NZ LYS A 61 -7.409 -11.249 -0.045 1.00 0.00 N ATOM 0 H LYS A 61 -7.026 -8.084 -6.198 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.397 -8.960 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.932 -9.564 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.048 -10.871 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.506 -11.849 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.950 -11.132 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.859 -9.479 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.358 -9.406 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.215 -10.525 -0.884 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.557 -11.937 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.987 -11.577 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.709 -11.979 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.916 -10.372 0.221 1.00 0.00 H new ATOM 945 N GLU A 62 -4.870 -9.884 -7.058 1.00 0.00 N ATOM 946 CA GLU A 62 -3.904 -10.523 -7.952 1.00 0.00 C ATOM 947 C GLU A 62 -2.585 -9.754 -7.979 1.00 0.00 C ATOM 948 O GLU A 62 -1.510 -10.357 -8.021 1.00 0.00 O ATOM 949 CB GLU A 62 -4.471 -10.624 -9.370 1.00 0.00 C ATOM 950 CG GLU A 62 -5.284 -11.884 -9.606 1.00 0.00 C ATOM 951 CD GLU A 62 -6.527 -11.629 -10.434 1.00 0.00 C ATOM 952 OE1 GLU A 62 -6.440 -11.709 -11.678 1.00 0.00 O ATOM 953 OE2 GLU A 62 -7.588 -11.348 -9.839 1.00 0.00 O ATOM 0 H GLU A 62 -5.637 -9.412 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.713 -11.526 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.098 -9.754 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.649 -10.592 -10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.662 -12.624 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.573 -12.311 -8.646 1.00 0.00 H new ATOM 960 N ASP A 63 -2.677 -8.421 -7.956 1.00 0.00 N ATOM 961 CA ASP A 63 -1.491 -7.563 -7.978 1.00 0.00 C ATOM 962 C ASP A 63 -0.509 -7.959 -6.879 1.00 0.00 C ATOM 963 O ASP A 63 0.699 -7.993 -7.101 1.00 0.00 O ATOM 964 CB ASP A 63 -1.883 -6.088 -7.813 1.00 0.00 C ATOM 965 CG ASP A 63 -2.477 -5.479 -9.073 1.00 0.00 C ATOM 966 OD1 ASP A 63 -2.277 -6.046 -10.168 1.00 0.00 O ATOM 967 OD2 ASP A 63 -3.142 -4.427 -8.962 1.00 0.00 O ATOM 0 H ASP A 63 -3.561 -7.914 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.007 -7.695 -8.945 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.604 -6.000 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.002 -5.516 -7.521 1.00 0.00 H new ATOM 972 N LEU A 64 -1.039 -8.257 -5.694 1.00 0.00 N ATOM 973 CA LEU A 64 -0.208 -8.649 -4.561 1.00 0.00 C ATOM 974 C LEU A 64 0.522 -9.959 -4.846 1.00 0.00 C ATOM 975 O LEU A 64 1.742 -10.036 -4.709 1.00 0.00 O ATOM 976 CB LEU A 64 -1.053 -8.784 -3.293 1.00 0.00 C ATOM 977 CG LEU A 64 -0.955 -7.604 -2.326 1.00 0.00 C ATOM 978 CD1 LEU A 64 -1.992 -6.545 -2.668 1.00 0.00 C ATOM 979 CD2 LEU A 64 -1.125 -8.080 -0.892 1.00 0.00 C ATOM 0 H LEU A 64 -2.039 -8.234 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 64 0.535 -7.867 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.096 -8.913 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.752 -9.691 -2.768 1.00 0.00 H new ATOM 0 HG LEU A 64 0.034 -7.156 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.907 -5.713 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.823 -6.185 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.990 -6.977 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.053 -7.229 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.101 -8.552 -0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.343 -8.801 -0.653 1.00 0.00 H new ATOM 991 N ALA A 65 -0.230 -10.983 -5.251 1.00 0.00 N ATOM 992 CA ALA A 65 0.353 -12.286 -5.564 1.00 0.00 C ATOM 993 C ALA A 65 1.418 -12.155 -6.653 1.00 0.00 C ATOM 994 O ALA A 65 2.461 -12.808 -6.595 1.00 0.00 O ATOM 995 CB ALA A 65 -0.732 -13.264 -5.991 1.00 0.00 C ATOM 0 H ALA A 65 -1.242 -10.935 -5.370 1.00 0.00 H new ATOM 0 HA ALA A 65 0.833 -12.672 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.282 -14.230 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.453 -13.383 -5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.239 -12.881 -6.876 1.00 0.00 H new ATOM 1001 N GLU A 66 1.148 -11.300 -7.641 1.00 0.00 N ATOM 1002 CA GLU A 66 2.085 -11.076 -8.740 1.00 0.00 C ATOM 1003 C GLU A 66 3.283 -10.245 -8.286 1.00 0.00 C ATOM 1004 O GLU A 66 4.423 -10.583 -8.588 1.00 0.00 O ATOM 1005 CB GLU A 66 1.384 -10.384 -9.912 1.00 0.00 C ATOM 1006 CG GLU A 66 0.771 -11.350 -10.913 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.716 -11.546 -10.695 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -1.503 -10.712 -11.189 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -1.095 -12.532 -10.027 1.00 0.00 O ATOM 0 H GLU A 66 0.289 -10.753 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 66 2.448 -12.050 -9.068 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.601 -9.733 -9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.102 -9.746 -10.428 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.941 -10.978 -11.923 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.276 -12.313 -10.839 1.00 0.00 H new ATOM 1016 N TYR A 67 3.018 -9.157 -7.562 1.00 0.00 N ATOM 1017 CA TYR A 67 4.086 -8.284 -7.073 1.00 0.00 C ATOM 1018 C TYR A 67 5.041 -9.041 -6.150 1.00 0.00 C ATOM 1019 O TYR A 67 6.248 -8.815 -6.183 1.00 0.00 O ATOM 1020 CB TYR A 67 3.499 -7.075 -6.341 1.00 0.00 C ATOM 1021 CG TYR A 67 4.408 -5.866 -6.342 1.00 0.00 C ATOM 1022 CD1 TYR A 67 4.481 -5.027 -7.449 1.00 0.00 C ATOM 1023 CD2 TYR A 67 5.192 -5.560 -5.236 1.00 0.00 C ATOM 1024 CE1 TYR A 67 5.309 -3.921 -7.453 1.00 0.00 C ATOM 1025 CE2 TYR A 67 6.022 -4.454 -5.233 1.00 0.00 C ATOM 1026 CZ TYR A 67 6.077 -3.638 -6.343 1.00 0.00 C ATOM 1027 OH TYR A 67 6.901 -2.535 -6.341 1.00 0.00 O ATOM 0 H TYR A 67 2.077 -8.860 -7.302 1.00 0.00 H new ATOM 0 HA TYR A 67 4.651 -7.935 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.550 -6.806 -6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.282 -7.355 -5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.880 -5.244 -8.320 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.152 -6.197 -4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.355 -3.281 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.624 -4.230 -4.365 1.00 0.00 H new ATOM 0 HH TYR A 67 6.639 -1.932 -5.614 1.00 0.00 H new ATOM 1037 N TYR A 68 4.497 -9.941 -5.332 1.00 0.00 N ATOM 1038 CA TYR A 68 5.312 -10.730 -4.408 1.00 0.00 C ATOM 1039 C TYR A 68 6.369 -11.533 -5.166 1.00 0.00 C ATOM 1040 O TYR A 68 7.516 -11.631 -4.726 1.00 0.00 O ATOM 1041 CB TYR A 68 4.426 -11.677 -3.591 1.00 0.00 C ATOM 1042 CG TYR A 68 5.124 -12.327 -2.413 1.00 0.00 C ATOM 1043 CD1 TYR A 68 6.065 -13.336 -2.600 1.00 0.00 C ATOM 1044 CD2 TYR A 68 4.833 -11.939 -1.111 1.00 0.00 C ATOM 1045 CE1 TYR A 68 6.694 -13.934 -1.524 1.00 0.00 C ATOM 1046 CE2 TYR A 68 5.457 -12.533 -0.031 1.00 0.00 C ATOM 1047 CZ TYR A 68 6.387 -13.530 -0.242 1.00 0.00 C ATOM 1048 OH TYR A 68 7.008 -14.125 0.832 1.00 0.00 O ATOM 0 H TYR A 68 3.498 -10.142 -5.290 1.00 0.00 H new ATOM 0 HA TYR A 68 5.818 -10.042 -3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.563 -11.122 -3.225 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.047 -12.458 -4.249 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.308 -13.657 -3.602 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.106 -11.159 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.423 -14.714 -1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.218 -12.218 0.974 1.00 0.00 H new ATOM 0 HH TYR A 68 6.679 -13.724 1.663 1.00 0.00 H new ATOM 1058 N GLU A 69 5.975 -12.107 -6.301 1.00 0.00 N ATOM 1059 CA GLU A 69 6.890 -12.904 -7.114 1.00 0.00 C ATOM 1060 C GLU A 69 7.655 -12.034 -8.113 1.00 0.00 C ATOM 1061 O GLU A 69 8.822 -12.296 -8.405 1.00 0.00 O ATOM 1062 CB GLU A 69 6.127 -14.005 -7.854 1.00 0.00 C ATOM 1063 CG GLU A 69 5.507 -15.046 -6.933 1.00 0.00 C ATOM 1064 CD GLU A 69 5.542 -16.444 -7.521 1.00 0.00 C ATOM 1065 OE1 GLU A 69 5.051 -16.626 -8.655 1.00 0.00 O ATOM 1066 OE2 GLU A 69 6.063 -17.357 -6.846 1.00 0.00 O ATOM 0 H GLU A 69 5.030 -12.035 -6.678 1.00 0.00 H new ATOM 0 HA GLU A 69 7.615 -13.362 -6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.340 -13.549 -8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.806 -14.503 -8.546 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.037 -15.044 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.473 -14.770 -6.724 1.00 0.00 H new ATOM 1073 N GLU A 70 6.992 -11.003 -8.639 1.00 0.00 N ATOM 1074 CA GLU A 70 7.615 -10.101 -9.608 1.00 0.00 C ATOM 1075 C GLU A 70 8.652 -9.192 -8.945 1.00 0.00 C ATOM 1076 O GLU A 70 9.656 -8.839 -9.564 1.00 0.00 O ATOM 1077 CB GLU A 70 6.552 -9.251 -10.314 1.00 0.00 C ATOM 1078 CG GLU A 70 5.775 -10.010 -11.381 1.00 0.00 C ATOM 1079 CD GLU A 70 5.479 -9.167 -12.608 1.00 0.00 C ATOM 1080 OE1 GLU A 70 6.409 -8.505 -13.117 1.00 0.00 O ATOM 1081 OE2 GLU A 70 4.316 -9.173 -13.064 1.00 0.00 O ATOM 0 H GLU A 70 6.025 -10.772 -8.411 1.00 0.00 H new ATOM 0 HA GLU A 70 8.127 -10.719 -10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.853 -8.868 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.035 -8.388 -10.773 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.344 -10.891 -11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.837 -10.366 -10.956 1.00 0.00 H new ATOM 1088 N ALA A 71 8.408 -8.813 -7.690 1.00 0.00 N ATOM 1089 CA ALA A 71 9.332 -7.945 -6.965 1.00 0.00 C ATOM 1090 C ALA A 71 10.575 -8.708 -6.518 1.00 0.00 C ATOM 1091 O ALA A 71 10.488 -9.860 -6.086 1.00 0.00 O ATOM 1092 CB ALA A 71 8.640 -7.310 -5.766 1.00 0.00 C ATOM 0 H ALA A 71 7.583 -9.092 -7.158 1.00 0.00 H new ATOM 0 HA ALA A 71 9.649 -7.155 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.344 -6.667 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.792 -6.716 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.288 -8.092 -5.093 1.00 0.00 H new