USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 525 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 46 TYR OH : rot 15:sc= 0.835 USER MOD Set 1.2: A 61 THR OG1 : rot 88:sc= 0.952 USER MOD Single : A 9 GLN : amide:sc= -2.77 K(o=-2.8,f=-5.2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 26 SER OG : rot 140:sc= -0.544 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 90:sc= -0.525 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -9.02! C(o=-9!,f=-10!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00697 X(o=-0.007,f=-0.084) USER MOD Single : A 48 THR OG1 : rot 110:sc= -1.14 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0589) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -7.09! C(o=-7.1!,f=-8.2!) USER MOD Single : A 70 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-7.3!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.105 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 0.980 -19.661 0.002 1.00 0.00 N ATOM 67 CA ASP A 8 1.212 -18.978 1.264 1.00 0.00 C ATOM 68 C ASP A 8 1.292 -17.471 1.016 1.00 0.00 C ATOM 69 O ASP A 8 0.608 -16.692 1.679 1.00 0.00 O ATOM 70 CB ASP A 8 2.531 -19.424 1.897 1.00 0.00 C ATOM 71 CG ASP A 8 2.397 -20.105 3.260 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.201 -21.340 3.261 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.492 -19.376 4.271 1.00 0.00 O ATOM 0 HA ASP A 8 0.389 -19.222 1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.031 -20.110 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.177 -18.553 2.005 1.00 0.00 H new ATOM 78 N GLN A 9 2.133 -17.104 0.060 1.00 0.00 N ATOM 79 CA GLN A 9 2.311 -15.704 -0.283 1.00 0.00 C ATOM 80 C GLN A 9 1.093 -15.186 -1.050 1.00 0.00 C ATOM 81 O GLN A 9 0.774 -13.999 -0.988 1.00 0.00 O ATOM 82 CB GLN A 9 3.595 -15.496 -1.089 1.00 0.00 C ATOM 83 CG GLN A 9 4.823 -15.934 -0.287 1.00 0.00 C ATOM 84 CD GLN A 9 5.028 -17.447 -0.381 1.00 0.00 C ATOM 85 OE1 GLN A 9 4.811 -18.189 0.564 1.00 0.00 O ATOM 86 NE2 GLN A 9 5.455 -17.862 -1.570 1.00 0.00 N ATOM 0 H GLN A 9 2.699 -17.753 -0.488 1.00 0.00 H new ATOM 0 HA GLN A 9 2.404 -15.133 0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.541 -16.064 -2.018 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.691 -14.445 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.708 -15.420 -0.661 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.703 -15.644 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.617 -17.187 -2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.621 -18.855 -1.734 1.00 0.00 H new ATOM 95 N LYS A 10 0.445 -16.101 -1.755 1.00 0.00 N ATOM 96 CA LYS A 10 -0.732 -15.752 -2.533 1.00 0.00 C ATOM 97 C LYS A 10 -1.867 -15.361 -1.586 1.00 0.00 C ATOM 98 O LYS A 10 -2.592 -14.400 -1.842 1.00 0.00 O ATOM 99 CB LYS A 10 -1.095 -16.886 -3.494 1.00 0.00 C ATOM 100 CG LYS A 10 -1.173 -16.380 -4.936 1.00 0.00 C ATOM 101 CD LYS A 10 0.175 -16.532 -5.643 1.00 0.00 C ATOM 102 CE LYS A 10 0.012 -16.433 -7.161 1.00 0.00 C ATOM 103 NZ LYS A 10 -0.374 -17.745 -7.727 1.00 0.00 N ATOM 0 H LYS A 10 0.712 -17.084 -1.804 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.529 -14.885 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.351 -17.679 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.052 -17.320 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.938 -16.935 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.475 -15.333 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.861 -15.759 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.620 -17.493 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.746 -15.688 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.945 -16.096 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.481 -17.660 -8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.363 -18.446 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.276 -18.051 -7.310 1.00 0.00 H new ATOM 117 N LYS A 11 -1.987 -16.125 -0.510 1.00 0.00 N ATOM 118 CA LYS A 11 -3.022 -15.870 0.478 1.00 0.00 C ATOM 119 C LYS A 11 -2.733 -14.543 1.182 1.00 0.00 C ATOM 120 O LYS A 11 -3.613 -13.691 1.293 1.00 0.00 O ATOM 121 CB LYS A 11 -3.154 -17.057 1.433 1.00 0.00 C ATOM 122 CG LYS A 11 -4.105 -18.114 0.867 1.00 0.00 C ATOM 123 CD LYS A 11 -5.565 -17.719 1.100 1.00 0.00 C ATOM 124 CE LYS A 11 -6.506 -18.574 0.249 1.00 0.00 C ATOM 125 NZ LYS A 11 -6.677 -19.915 0.853 1.00 0.00 N ATOM 0 H LYS A 11 -1.385 -16.921 -0.301 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.994 -15.770 -0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.173 -17.500 1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.522 -16.712 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.924 -18.237 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.906 -19.077 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.814 -17.837 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.704 -16.666 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.475 -18.082 0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.106 -18.672 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.319 -20.482 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.753 -20.389 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.080 -19.817 1.807 1.00 0.00 H new ATOM 139 N PHE A 12 -1.497 -14.409 1.640 1.00 0.00 N ATOM 140 CA PHE A 12 -1.081 -13.201 2.331 1.00 0.00 C ATOM 141 C PHE A 12 -1.341 -11.961 1.472 1.00 0.00 C ATOM 142 O PHE A 12 -2.047 -11.047 1.894 1.00 0.00 O ATOM 143 CB PHE A 12 0.423 -13.324 2.583 1.00 0.00 C ATOM 144 CG PHE A 12 1.091 -12.018 3.017 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.473 -11.107 2.082 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.303 -11.768 4.337 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.092 -9.894 2.484 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.923 -10.555 4.739 1.00 0.00 C ATOM 149 CZ PHE A 12 2.304 -9.644 3.804 1.00 0.00 C ATOM 0 H PHE A 12 -0.770 -15.118 1.546 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.642 -13.092 3.259 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.592 -14.079 3.351 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.905 -13.682 1.673 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.305 -11.306 1.034 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.000 -12.492 5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.394 -9.170 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.092 -10.356 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.775 -8.722 4.110 1.00 0.00 H new ATOM 159 N ILE A 13 -0.758 -11.971 0.283 1.00 0.00 N ATOM 160 CA ILE A 13 -0.918 -10.859 -0.639 1.00 0.00 C ATOM 161 C ILE A 13 -2.409 -10.593 -0.856 1.00 0.00 C ATOM 162 O ILE A 13 -2.845 -9.443 -0.850 1.00 0.00 O ATOM 163 CB ILE A 13 -0.145 -11.121 -1.933 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.159 -9.812 -2.664 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.890 -12.116 -2.825 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.369 -9.108 -2.048 1.00 0.00 C ATOM 0 H ILE A 13 -0.174 -12.732 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.490 -9.950 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 13 0.811 -11.575 -1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.350 -10.016 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.710 -9.156 -2.619 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.319 -12.285 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.012 -13.060 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.870 -11.713 -3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.563 -8.180 -2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.165 -8.884 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.242 -9.757 -2.117 1.00 0.00 H new ATOM 178 N ASP A 14 -3.150 -11.676 -1.041 1.00 0.00 N ATOM 179 CA ASP A 14 -4.583 -11.574 -1.260 1.00 0.00 C ATOM 180 C ASP A 14 -5.216 -10.797 -0.104 1.00 0.00 C ATOM 181 O ASP A 14 -5.896 -9.796 -0.323 1.00 0.00 O ATOM 182 CB ASP A 14 -5.232 -12.958 -1.312 1.00 0.00 C ATOM 183 CG ASP A 14 -5.798 -13.356 -2.676 1.00 0.00 C ATOM 184 OD1 ASP A 14 -5.006 -13.882 -3.488 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.010 -13.125 -2.877 1.00 0.00 O ATOM 0 H ASP A 14 -2.785 -12.628 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.744 -11.065 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.493 -13.701 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.036 -12.993 -0.577 1.00 0.00 H new ATOM 190 N GLN A 15 -4.970 -11.288 1.102 1.00 0.00 N ATOM 191 CA GLN A 15 -5.508 -10.653 2.293 1.00 0.00 C ATOM 192 C GLN A 15 -5.287 -9.140 2.234 1.00 0.00 C ATOM 193 O GLN A 15 -6.149 -8.366 2.648 1.00 0.00 O ATOM 194 CB GLN A 15 -4.889 -11.248 3.559 1.00 0.00 C ATOM 195 CG GLN A 15 -3.890 -10.277 4.190 1.00 0.00 C ATOM 196 CD GLN A 15 -3.288 -10.863 5.469 1.00 0.00 C ATOM 197 OE1 GLN A 15 -3.892 -11.668 6.157 1.00 0.00 O ATOM 198 NE2 GLN A 15 -2.067 -10.414 5.747 1.00 0.00 N ATOM 0 H GLN A 15 -4.405 -12.118 1.280 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.581 -10.843 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.675 -11.483 4.276 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.387 -12.185 3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.095 -10.054 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.388 -9.334 4.417 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.618 -9.739 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.579 -10.744 6.580 1.00 0.00 H new ATOM 207 N VAL A 16 -4.127 -8.764 1.715 1.00 0.00 N ATOM 208 CA VAL A 16 -3.782 -7.358 1.596 1.00 0.00 C ATOM 209 C VAL A 16 -4.685 -6.702 0.549 1.00 0.00 C ATOM 210 O VAL A 16 -5.248 -5.635 0.790 1.00 0.00 O ATOM 211 CB VAL A 16 -2.292 -7.209 1.278 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.898 -5.735 1.173 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.436 -7.933 2.319 1.00 0.00 C ATOM 0 H VAL A 16 -3.415 -9.409 1.372 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.952 -6.842 2.541 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.107 -7.674 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.835 -5.658 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.474 -5.260 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.105 -5.235 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.382 -7.812 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.627 -7.510 3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.688 -8.993 2.324 1.00 0.00 H new ATOM 223 N ILE A 17 -4.794 -7.367 -0.592 1.00 0.00 N ATOM 224 CA ILE A 17 -5.618 -6.863 -1.676 1.00 0.00 C ATOM 225 C ILE A 17 -6.931 -6.324 -1.105 1.00 0.00 C ATOM 226 O ILE A 17 -7.339 -5.208 -1.423 1.00 0.00 O ATOM 227 CB ILE A 17 -5.809 -7.937 -2.749 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.461 -8.416 -3.291 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.733 -7.441 -3.863 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.470 -7.256 -3.398 1.00 0.00 C ATOM 0 H ILE A 17 -4.325 -8.251 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.122 -6.031 -2.176 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.294 -8.798 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.055 -9.187 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.600 -8.872 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.852 -8.223 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.707 -7.190 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.299 -6.556 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.520 -7.624 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.868 -6.498 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.314 -6.818 -2.412 1.00 0.00 H new ATOM 242 N GLU A 18 -7.557 -7.142 -0.272 1.00 0.00 N ATOM 243 CA GLU A 18 -8.816 -6.762 0.347 1.00 0.00 C ATOM 244 C GLU A 18 -8.696 -5.377 0.986 1.00 0.00 C ATOM 245 O GLU A 18 -9.525 -4.502 0.741 1.00 0.00 O ATOM 246 CB GLU A 18 -9.258 -7.804 1.376 1.00 0.00 C ATOM 247 CG GLU A 18 -9.847 -9.038 0.689 1.00 0.00 C ATOM 248 CD GLU A 18 -11.165 -8.699 -0.010 1.00 0.00 C ATOM 249 OE1 GLU A 18 -12.209 -8.793 0.671 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.099 -8.355 -1.210 1.00 0.00 O ATOM 0 H GLU A 18 -7.216 -8.067 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.581 -6.718 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.407 -8.097 1.991 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.999 -7.368 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.135 -9.428 -0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.013 -9.824 1.426 1.00 0.00 H new ATOM 257 N LYS A 19 -7.657 -5.221 1.793 1.00 0.00 N ATOM 258 CA LYS A 19 -7.417 -3.957 2.469 1.00 0.00 C ATOM 259 C LYS A 19 -7.266 -2.847 1.427 1.00 0.00 C ATOM 260 O LYS A 19 -7.849 -1.773 1.569 1.00 0.00 O ATOM 261 CB LYS A 19 -6.225 -4.075 3.419 1.00 0.00 C ATOM 262 CG LYS A 19 -6.490 -5.120 4.505 1.00 0.00 C ATOM 263 CD LYS A 19 -5.178 -5.676 5.063 1.00 0.00 C ATOM 264 CE LYS A 19 -5.282 -5.915 6.571 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.759 -7.255 6.920 1.00 0.00 N ATOM 0 H LYS A 19 -6.971 -5.949 1.994 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.269 -3.693 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.333 -4.349 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.026 -3.108 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.071 -4.673 5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.088 -5.933 4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.931 -6.610 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.366 -4.979 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.722 -5.149 7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.321 -5.830 6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.837 -7.401 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.311 -7.983 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.761 -7.323 6.635 1.00 0.00 H new ATOM 279 N ILE A 20 -6.479 -3.144 0.403 1.00 0.00 N ATOM 280 CA ILE A 20 -6.244 -2.184 -0.663 1.00 0.00 C ATOM 281 C ILE A 20 -7.581 -1.789 -1.293 1.00 0.00 C ATOM 282 O ILE A 20 -7.994 -0.634 -1.209 1.00 0.00 O ATOM 283 CB ILE A 20 -5.230 -2.737 -1.667 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.881 -3.000 -0.995 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.097 -1.811 -2.877 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.981 -3.855 -1.890 1.00 0.00 C ATOM 0 H ILE A 20 -5.996 -4.035 0.289 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.799 -1.273 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.599 -3.695 -2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.388 -2.052 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.038 -3.505 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.371 -2.227 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.064 -1.718 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.762 -0.828 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.028 -4.028 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.466 -4.811 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.807 -3.336 -2.833 1.00 0.00 H new ATOM 298 N GLU A 21 -8.221 -2.772 -1.910 1.00 0.00 N ATOM 299 CA GLU A 21 -9.503 -2.542 -2.553 1.00 0.00 C ATOM 300 C GLU A 21 -10.340 -1.558 -1.733 1.00 0.00 C ATOM 301 O GLU A 21 -10.726 -0.501 -2.229 1.00 0.00 O ATOM 302 CB GLU A 21 -10.254 -3.857 -2.765 1.00 0.00 C ATOM 303 CG GLU A 21 -9.793 -4.552 -4.048 1.00 0.00 C ATOM 304 CD GLU A 21 -10.990 -5.022 -4.878 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.976 -5.464 -4.251 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.891 -4.929 -6.120 1.00 0.00 O ATOM 0 H GLU A 21 -7.875 -3.729 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.321 -2.104 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.090 -4.515 -1.912 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.325 -3.664 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.183 -3.867 -4.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.162 -5.405 -3.797 1.00 0.00 H new ATOM 313 N ASP A 22 -10.597 -1.942 -0.491 1.00 0.00 N ATOM 314 CA ASP A 22 -11.381 -1.107 0.403 1.00 0.00 C ATOM 315 C ASP A 22 -10.807 0.311 0.404 1.00 0.00 C ATOM 316 O ASP A 22 -11.521 1.274 0.127 1.00 0.00 O ATOM 317 CB ASP A 22 -11.332 -1.638 1.837 1.00 0.00 C ATOM 318 CG ASP A 22 -12.695 -1.808 2.511 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.598 -2.350 1.837 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.804 -1.393 3.685 1.00 0.00 O ATOM 0 H ASP A 22 -10.276 -2.820 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.413 -1.113 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.822 -2.601 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.728 -0.959 2.439 1.00 0.00 H new ATOM 325 N PHE A 23 -9.523 0.395 0.720 1.00 0.00 N ATOM 326 CA PHE A 23 -8.845 1.680 0.761 1.00 0.00 C ATOM 327 C PHE A 23 -9.051 2.451 -0.545 1.00 0.00 C ATOM 328 O PHE A 23 -9.227 3.668 -0.530 1.00 0.00 O ATOM 329 CB PHE A 23 -7.353 1.393 0.940 1.00 0.00 C ATOM 330 CG PHE A 23 -6.437 2.443 0.307 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.514 3.741 0.706 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.547 2.078 -0.653 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.664 4.715 0.119 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.697 3.053 -1.240 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.774 4.351 -0.841 1.00 0.00 C ATOM 0 H PHE A 23 -8.934 -0.406 0.950 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.244 2.285 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.131 1.327 2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.126 0.419 0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.221 4.031 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.486 1.047 -0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.725 5.746 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.990 2.764 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.128 5.092 -1.287 1.00 0.00 H new ATOM 345 N LEU A 24 -9.024 1.709 -1.643 1.00 0.00 N ATOM 346 CA LEU A 24 -9.206 2.308 -2.954 1.00 0.00 C ATOM 347 C LEU A 24 -10.670 2.718 -3.124 1.00 0.00 C ATOM 348 O LEU A 24 -10.967 3.714 -3.782 1.00 0.00 O ATOM 349 CB LEU A 24 -8.700 1.365 -4.048 1.00 0.00 C ATOM 350 CG LEU A 24 -7.262 0.865 -3.891 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.989 -0.319 -4.820 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.261 2.002 -4.102 1.00 0.00 C ATOM 0 H LEU A 24 -8.879 0.699 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.608 3.215 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.362 0.500 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.783 1.876 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.134 0.508 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.960 -0.655 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.671 -1.135 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.141 -0.012 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.247 1.620 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.381 2.411 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.441 2.786 -3.366 1.00 0.00 H new ATOM 364 N GLN A 25 -11.546 1.929 -2.520 1.00 0.00 N ATOM 365 CA GLN A 25 -12.972 2.198 -2.597 1.00 0.00 C ATOM 366 C GLN A 25 -13.297 3.534 -1.927 1.00 0.00 C ATOM 367 O GLN A 25 -13.951 4.389 -2.523 1.00 0.00 O ATOM 368 CB GLN A 25 -13.779 1.059 -1.969 1.00 0.00 C ATOM 369 CG GLN A 25 -13.845 -0.148 -2.907 1.00 0.00 C ATOM 370 CD GLN A 25 -15.109 -0.105 -3.768 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.566 0.944 -4.194 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.648 -1.299 -3.999 1.00 0.00 N ATOM 0 H GLN A 25 -11.296 1.104 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.254 2.263 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.324 0.765 -1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.788 1.405 -1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.964 -0.163 -3.549 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.830 -1.068 -2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.215 -2.138 -3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.495 -1.376 -4.563 1.00 0.00 H new ATOM 381 N SER A 26 -12.825 3.673 -0.697 1.00 0.00 N ATOM 382 CA SER A 26 -13.058 4.892 0.060 1.00 0.00 C ATOM 383 C SER A 26 -12.583 6.105 -0.742 1.00 0.00 C ATOM 384 O SER A 26 -11.562 6.041 -1.425 1.00 0.00 O ATOM 385 CB SER A 26 -12.349 4.841 1.416 1.00 0.00 C ATOM 386 OG SER A 26 -13.028 5.613 2.402 1.00 0.00 O ATOM 0 H SER A 26 -12.283 2.962 -0.206 1.00 0.00 H new ATOM 0 HA SER A 26 -14.129 4.982 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.280 3.806 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.329 5.209 1.306 1.00 0.00 H new ATOM 0 HG SER A 26 -13.018 5.134 3.257 1.00 0.00 H new ATOM 392 N GLU A 27 -13.347 7.182 -0.632 1.00 0.00 N ATOM 393 CA GLU A 27 -13.017 8.408 -1.339 1.00 0.00 C ATOM 394 C GLU A 27 -12.173 9.323 -0.449 1.00 0.00 C ATOM 395 O GLU A 27 -11.250 9.980 -0.927 1.00 0.00 O ATOM 396 CB GLU A 27 -14.283 9.123 -1.817 1.00 0.00 C ATOM 397 CG GLU A 27 -15.388 9.044 -0.762 1.00 0.00 C ATOM 398 CD GLU A 27 -16.273 7.816 -0.985 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.892 7.752 -2.070 1.00 0.00 O ATOM 400 OE2 GLU A 27 -16.310 6.969 -0.067 1.00 0.00 O ATOM 0 H GLU A 27 -14.193 7.231 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.431 8.150 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.056 10.167 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.630 8.673 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.944 9.001 0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.997 9.947 -0.800 1.00 0.00 H new ATOM 407 N GLU A 28 -12.521 9.337 0.829 1.00 0.00 N ATOM 408 CA GLU A 28 -11.807 10.160 1.790 1.00 0.00 C ATOM 409 C GLU A 28 -10.372 9.656 1.959 1.00 0.00 C ATOM 410 O GLU A 28 -9.427 10.444 1.939 1.00 0.00 O ATOM 411 CB GLU A 28 -12.538 10.194 3.134 1.00 0.00 C ATOM 412 CG GLU A 28 -12.562 11.611 3.709 1.00 0.00 C ATOM 413 CD GLU A 28 -13.247 11.636 5.077 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.346 11.048 5.172 1.00 0.00 O ATOM 415 OE2 GLU A 28 -12.656 12.241 5.997 1.00 0.00 O ATOM 0 H GLU A 28 -13.288 8.791 1.222 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.770 11.180 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.558 9.832 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.047 9.521 3.836 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.543 11.987 3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.086 12.277 3.023 1.00 0.00 H new ATOM 422 N LYS A 29 -10.254 8.347 2.121 1.00 0.00 N ATOM 423 CA LYS A 29 -8.951 7.728 2.294 1.00 0.00 C ATOM 424 C LYS A 29 -7.945 8.400 1.357 1.00 0.00 C ATOM 425 O LYS A 29 -8.227 8.597 0.176 1.00 0.00 O ATOM 426 CB LYS A 29 -9.048 6.213 2.107 1.00 0.00 C ATOM 427 CG LYS A 29 -9.857 5.572 3.237 1.00 0.00 C ATOM 428 CD LYS A 29 -9.728 4.048 3.207 1.00 0.00 C ATOM 429 CE LYS A 29 -10.033 3.445 4.581 1.00 0.00 C ATOM 430 NZ LYS A 29 -9.031 2.413 4.927 1.00 0.00 N ATOM 0 H LYS A 29 -11.040 7.697 2.136 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.590 7.877 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.516 5.991 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.047 5.781 2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.510 5.951 4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.906 5.854 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.412 3.636 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.720 3.771 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.032 4.230 5.338 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.031 3.006 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.252 2.014 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.051 1.656 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.084 2.842 4.949 1.00 0.00 H new ATOM 444 N ARG A 30 -6.792 8.732 1.919 1.00 0.00 N ATOM 445 CA ARG A 30 -5.742 9.377 1.148 1.00 0.00 C ATOM 446 C ARG A 30 -4.491 8.497 1.114 1.00 0.00 C ATOM 447 O ARG A 30 -3.811 8.418 0.093 1.00 0.00 O ATOM 448 CB ARG A 30 -5.383 10.741 1.742 1.00 0.00 C ATOM 449 CG ARG A 30 -5.995 11.876 0.918 1.00 0.00 C ATOM 450 CD ARG A 30 -4.939 12.542 0.033 1.00 0.00 C ATOM 451 NE ARG A 30 -4.909 13.999 0.291 1.00 0.00 N ATOM 452 CZ ARG A 30 -4.517 14.548 1.449 1.00 0.00 C ATOM 453 NH1 ARG A 30 -4.121 13.766 2.462 1.00 0.00 N ATOM 454 NH2 ARG A 30 -4.522 15.881 1.593 1.00 0.00 N ATOM 0 H ARG A 30 -6.562 8.567 2.899 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.115 9.521 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.741 10.799 2.770 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.299 10.854 1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.801 11.486 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.436 12.617 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.959 12.109 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.162 12.355 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.205 14.624 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.118 12.752 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.823 14.185 3.343 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.824 16.476 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.224 16.300 2.474 1.00 0.00 H new ATOM 468 N SER A 31 -4.226 7.858 2.244 1.00 0.00 N ATOM 469 CA SER A 31 -3.069 6.986 2.357 1.00 0.00 C ATOM 470 C SER A 31 -3.395 5.797 3.262 1.00 0.00 C ATOM 471 O SER A 31 -3.876 5.976 4.380 1.00 0.00 O ATOM 472 CB SER A 31 -1.856 7.747 2.897 1.00 0.00 C ATOM 473 OG SER A 31 -2.217 9.022 3.422 1.00 0.00 O ATOM 0 H SER A 31 -4.793 7.927 3.089 1.00 0.00 H new ATOM 0 HA SER A 31 -2.820 6.619 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.375 7.157 3.677 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.125 7.877 2.099 1.00 0.00 H new ATOM 0 HG SER A 31 -1.416 9.476 3.758 1.00 0.00 H new ATOM 479 N LEU A 32 -3.121 4.608 2.745 1.00 0.00 N ATOM 480 CA LEU A 32 -3.379 3.389 3.493 1.00 0.00 C ATOM 481 C LEU A 32 -2.090 2.934 4.179 1.00 0.00 C ATOM 482 O LEU A 32 -0.995 3.168 3.669 1.00 0.00 O ATOM 483 CB LEU A 32 -4.002 2.326 2.586 1.00 0.00 C ATOM 484 CG LEU A 32 -4.457 1.039 3.276 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.736 1.271 4.083 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.616 -0.099 2.265 1.00 0.00 C ATOM 0 H LEU A 32 -2.723 4.463 1.817 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.111 3.572 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.861 2.767 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.277 2.065 1.815 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.682 0.738 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.037 0.340 4.563 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.553 2.029 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.530 1.609 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.940 -1.002 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.360 0.179 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.661 -0.285 1.774 1.00 0.00 H new ATOM 498 N GLU A 33 -2.262 2.291 5.324 1.00 0.00 N ATOM 499 CA GLU A 33 -1.125 1.800 6.085 1.00 0.00 C ATOM 500 C GLU A 33 -1.231 0.286 6.280 1.00 0.00 C ATOM 501 O GLU A 33 -2.246 -0.212 6.764 1.00 0.00 O ATOM 502 CB GLU A 33 -1.015 2.520 7.431 1.00 0.00 C ATOM 503 CG GLU A 33 -0.768 4.017 7.234 1.00 0.00 C ATOM 504 CD GLU A 33 -0.216 4.654 8.511 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.553 4.134 9.596 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.530 5.647 8.372 1.00 0.00 O ATOM 0 H GLU A 33 -3.171 2.098 5.744 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.216 2.011 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.931 2.371 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.202 2.087 8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.065 4.169 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.699 4.509 6.951 1.00 0.00 H new ATOM 513 N LEU A 34 -0.168 -0.403 5.893 1.00 0.00 N ATOM 514 CA LEU A 34 -0.128 -1.850 6.018 1.00 0.00 C ATOM 515 C LEU A 34 0.742 -2.230 7.218 1.00 0.00 C ATOM 516 O LEU A 34 1.330 -1.362 7.863 1.00 0.00 O ATOM 517 CB LEU A 34 0.324 -2.490 4.704 1.00 0.00 C ATOM 518 CG LEU A 34 -0.741 -2.603 3.612 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.105 -2.909 2.255 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.807 -3.634 3.990 1.00 0.00 C ATOM 0 H LEU A 34 0.672 0.014 5.493 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.126 -2.243 6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.160 -1.912 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.701 -3.489 4.921 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.242 -1.639 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.884 -2.984 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.585 -2.109 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.438 -3.852 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.552 -3.695 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.339 -4.609 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.290 -3.333 4.920 1.00 0.00 H new ATOM 532 N ASP A 35 0.797 -3.527 7.482 1.00 0.00 N ATOM 533 CA ASP A 35 1.586 -4.032 8.593 1.00 0.00 C ATOM 534 C ASP A 35 3.069 -3.986 8.223 1.00 0.00 C ATOM 535 O ASP A 35 3.419 -3.992 7.043 1.00 0.00 O ATOM 536 CB ASP A 35 1.223 -5.484 8.911 1.00 0.00 C ATOM 537 CG ASP A 35 1.628 -6.501 7.842 1.00 0.00 C ATOM 538 OD1 ASP A 35 1.490 -6.155 6.649 1.00 0.00 O ATOM 539 OD2 ASP A 35 2.066 -7.601 8.243 1.00 0.00 O ATOM 0 H ASP A 35 0.308 -4.244 6.946 1.00 0.00 H new ATOM 0 HA ASP A 35 1.379 -3.409 9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.695 -5.763 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.146 -5.548 9.063 1.00 0.00 H new ATOM 544 N PRO A 36 3.924 -3.940 9.279 1.00 0.00 N ATOM 545 CA PRO A 36 5.363 -3.893 9.077 1.00 0.00 C ATOM 546 C PRO A 36 5.902 -5.262 8.655 1.00 0.00 C ATOM 547 O PRO A 36 5.876 -6.211 9.437 1.00 0.00 O ATOM 548 CB PRO A 36 5.931 -3.413 10.402 1.00 0.00 C ATOM 549 CG PRO A 36 4.842 -3.654 11.435 1.00 0.00 C ATOM 550 CD PRO A 36 3.547 -3.932 10.689 1.00 0.00 C ATOM 0 HA PRO A 36 5.653 -3.222 8.269 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.839 -3.958 10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.196 -2.357 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.103 -4.497 12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.731 -2.784 12.083 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.115 -4.887 10.988 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.800 -3.166 10.894 1.00 0.00 H new ATOM 558 N CYS A 37 6.378 -5.320 7.420 1.00 0.00 N ATOM 559 CA CYS A 37 6.922 -6.556 6.885 1.00 0.00 C ATOM 560 C CYS A 37 8.306 -6.777 7.499 1.00 0.00 C ATOM 561 O CYS A 37 8.902 -5.849 8.044 1.00 0.00 O ATOM 562 CB CYS A 37 6.973 -6.537 5.356 1.00 0.00 C ATOM 563 SG CYS A 37 5.320 -6.920 4.670 1.00 0.00 S ATOM 0 H CYS A 37 6.398 -4.531 6.774 1.00 0.00 H new ATOM 0 HA CYS A 37 6.270 -7.388 7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.303 -5.558 5.007 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.702 -7.265 4.999 1.00 0.00 H new ATOM 0 HG CYS A 37 4.648 -5.818 4.515 1.00 0.00 H new ATOM 569 N THR A 38 8.776 -8.011 7.391 1.00 0.00 N ATOM 570 CA THR A 38 10.079 -8.365 7.929 1.00 0.00 C ATOM 571 C THR A 38 11.153 -8.247 6.846 1.00 0.00 C ATOM 572 O THR A 38 12.325 -8.032 7.150 1.00 0.00 O ATOM 573 CB THR A 38 9.976 -9.767 8.532 1.00 0.00 C ATOM 574 OG1 THR A 38 11.268 -10.004 9.085 1.00 0.00 O ATOM 575 CG2 THR A 38 9.822 -10.854 7.465 1.00 0.00 C ATOM 0 H THR A 38 8.278 -8.778 6.939 1.00 0.00 H new ATOM 0 HA THR A 38 10.381 -7.677 8.719 1.00 0.00 H new ATOM 0 HB THR A 38 9.128 -9.806 9.215 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.289 -10.892 9.499 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.753 -11.829 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.917 -10.670 6.887 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.686 -10.837 6.801 1.00 0.00 H new ATOM 583 N GLY A 39 10.715 -8.393 5.604 1.00 0.00 N ATOM 584 CA GLY A 39 11.625 -8.305 4.474 1.00 0.00 C ATOM 585 C GLY A 39 11.005 -8.929 3.222 1.00 0.00 C ATOM 586 O GLY A 39 10.452 -8.223 2.381 1.00 0.00 O ATOM 0 H GLY A 39 9.742 -8.572 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.871 -7.261 4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.559 -8.813 4.714 1.00 0.00 H new ATOM 590 N PHE A 40 11.119 -10.246 3.138 1.00 0.00 N ATOM 591 CA PHE A 40 10.578 -10.973 2.003 1.00 0.00 C ATOM 592 C PHE A 40 9.170 -10.482 1.658 1.00 0.00 C ATOM 593 O PHE A 40 8.919 -10.047 0.535 1.00 0.00 O ATOM 594 CB PHE A 40 10.505 -12.447 2.408 1.00 0.00 C ATOM 595 CG PHE A 40 10.551 -13.420 1.229 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.700 -13.574 0.517 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.442 -14.132 0.891 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.742 -14.477 -0.578 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.484 -15.035 -0.204 1.00 0.00 C ATOM 600 CZ PHE A 40 10.633 -15.188 -0.915 1.00 0.00 C ATOM 0 H PHE A 40 11.578 -10.829 3.838 1.00 0.00 H new ATOM 0 HA PHE A 40 11.212 -10.822 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.333 -12.669 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.585 -12.614 2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.581 -13.009 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.529 -14.010 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.654 -14.599 -1.143 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.604 -15.600 -0.472 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.665 -15.875 -1.748 1.00 0.00 H new ATOM 610 N GLN A 41 8.290 -10.568 2.644 1.00 0.00 N ATOM 611 CA GLN A 41 6.915 -10.138 2.459 1.00 0.00 C ATOM 612 C GLN A 41 6.873 -8.783 1.750 1.00 0.00 C ATOM 613 O GLN A 41 6.233 -8.642 0.709 1.00 0.00 O ATOM 614 CB GLN A 41 6.174 -10.080 3.796 1.00 0.00 C ATOM 615 CG GLN A 41 5.878 -11.486 4.321 1.00 0.00 C ATOM 616 CD GLN A 41 4.847 -12.195 3.440 1.00 0.00 C ATOM 617 OE1 GLN A 41 4.015 -11.579 2.796 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.950 -13.521 3.448 1.00 0.00 N ATOM 0 H GLN A 41 8.503 -10.929 3.574 1.00 0.00 H new ATOM 0 HA GLN A 41 6.408 -10.870 1.831 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.774 -9.535 4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.241 -9.529 3.675 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.799 -12.069 4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.507 -11.425 5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.671 -13.973 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.308 -14.086 2.892 1.00 0.00 H new ATOM 627 N ARG A 42 7.565 -7.820 2.341 1.00 0.00 N ATOM 628 CA ARG A 42 7.615 -6.481 1.779 1.00 0.00 C ATOM 629 C ARG A 42 7.823 -6.549 0.265 1.00 0.00 C ATOM 630 O ARG A 42 7.134 -5.865 -0.491 1.00 0.00 O ATOM 631 CB ARG A 42 8.746 -5.662 2.406 1.00 0.00 C ATOM 632 CG ARG A 42 8.810 -4.260 1.798 1.00 0.00 C ATOM 633 CD ARG A 42 9.391 -3.256 2.795 1.00 0.00 C ATOM 634 NE ARG A 42 10.507 -2.511 2.170 1.00 0.00 N ATOM 635 CZ ARG A 42 11.384 -1.760 2.851 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.280 -1.651 4.182 1.00 0.00 N ATOM 637 NH2 ARG A 42 12.365 -1.119 2.201 1.00 0.00 N ATOM 0 H ARG A 42 8.096 -7.940 3.204 1.00 0.00 H new ATOM 0 HA ARG A 42 6.665 -5.994 1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.593 -5.589 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.697 -6.172 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.422 -4.278 0.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.811 -3.944 1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.615 -2.562 3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.744 -3.777 3.685 1.00 0.00 H new ATOM 0 HE ARG A 42 10.615 -2.573 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.534 -2.139 4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.947 -1.080 4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.445 -1.202 1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.032 -0.548 2.720 1.00 0.00 H new ATOM 651 N LYS A 43 8.775 -7.379 -0.133 1.00 0.00 N ATOM 652 CA LYS A 43 9.082 -7.545 -1.544 1.00 0.00 C ATOM 653 C LYS A 43 7.852 -8.095 -2.268 1.00 0.00 C ATOM 654 O LYS A 43 7.571 -7.711 -3.402 1.00 0.00 O ATOM 655 CB LYS A 43 10.336 -8.405 -1.722 1.00 0.00 C ATOM 656 CG LYS A 43 11.564 -7.713 -1.125 1.00 0.00 C ATOM 657 CD LYS A 43 12.416 -8.702 -0.328 1.00 0.00 C ATOM 658 CE LYS A 43 13.894 -8.581 -0.705 1.00 0.00 C ATOM 659 NZ LYS A 43 14.741 -8.583 0.509 1.00 0.00 N ATOM 0 H LYS A 43 9.344 -7.944 0.497 1.00 0.00 H new ATOM 0 HA LYS A 43 9.316 -6.582 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.189 -9.372 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.502 -8.598 -2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.162 -7.273 -1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.247 -6.896 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.293 -8.516 0.739 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.071 -9.719 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.178 -9.408 -1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.058 -7.662 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.741 -8.500 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.481 -7.779 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.598 -9.471 1.031 1.00 0.00 H new ATOM 673 N LEU A 44 7.150 -8.986 -1.583 1.00 0.00 N ATOM 674 CA LEU A 44 5.957 -9.593 -2.146 1.00 0.00 C ATOM 675 C LEU A 44 4.946 -8.496 -2.488 1.00 0.00 C ATOM 676 O LEU A 44 4.538 -8.360 -3.641 1.00 0.00 O ATOM 677 CB LEU A 44 5.405 -10.666 -1.205 1.00 0.00 C ATOM 678 CG LEU A 44 6.406 -11.724 -0.735 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.783 -12.635 0.325 1.00 0.00 C ATOM 680 CD2 LEU A 44 6.961 -12.518 -1.919 1.00 0.00 C ATOM 0 H LEU A 44 7.385 -9.302 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 44 6.195 -10.110 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.989 -10.172 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.580 -11.172 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 44 7.248 -11.214 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.515 -13.378 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.477 -12.038 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.913 -13.139 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.670 -13.263 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.143 -13.017 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.467 -11.840 -2.607 1.00 0.00 H new ATOM 692 N ILE A 45 4.570 -7.743 -1.465 1.00 0.00 N ATOM 693 CA ILE A 45 3.614 -6.663 -1.643 1.00 0.00 C ATOM 694 C ILE A 45 3.989 -5.856 -2.888 1.00 0.00 C ATOM 695 O ILE A 45 3.205 -5.763 -3.831 1.00 0.00 O ATOM 696 CB ILE A 45 3.516 -5.819 -0.370 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.969 -6.647 0.795 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.690 -4.555 -0.613 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.151 -5.911 2.124 1.00 0.00 C ATOM 0 H ILE A 45 4.910 -7.859 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 45 2.614 -7.063 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 45 4.520 -5.498 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.912 -6.856 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.481 -7.608 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.636 -3.973 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.161 -3.957 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.684 -4.833 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.754 -6.521 2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.211 -5.726 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.617 -4.961 2.090 1.00 0.00 H new ATOM 711 N TYR A 46 5.187 -5.291 -2.850 1.00 0.00 N ATOM 712 CA TYR A 46 5.675 -4.495 -3.963 1.00 0.00 C ATOM 713 C TYR A 46 5.557 -5.264 -5.280 1.00 0.00 C ATOM 714 O TYR A 46 4.984 -4.763 -6.246 1.00 0.00 O ATOM 715 CB TYR A 46 7.153 -4.227 -3.673 1.00 0.00 C ATOM 716 CG TYR A 46 7.398 -3.056 -2.719 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.932 -1.797 -3.038 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.085 -3.259 -1.540 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.162 -0.695 -2.140 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.316 -2.158 -0.642 1.00 0.00 C ATOM 721 CZ TYR A 46 7.843 -0.930 -0.986 1.00 0.00 C ATOM 722 OH TYR A 46 8.060 0.111 -0.138 1.00 0.00 O ATOM 0 H TYR A 46 5.834 -5.369 -2.065 1.00 0.00 H new ATOM 0 HA TYR A 46 5.095 -3.577 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.598 -5.127 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.667 -4.030 -4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.395 -1.638 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.450 -4.245 -1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.802 0.295 -2.377 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.853 -2.304 0.284 1.00 0.00 H new ATOM 0 HH TYR A 46 7.476 0.859 -0.382 1.00 0.00 H new ATOM 732 N GLN A 47 6.110 -6.469 -5.277 1.00 0.00 N ATOM 733 CA GLN A 47 6.074 -7.312 -6.460 1.00 0.00 C ATOM 734 C GLN A 47 4.661 -7.344 -7.046 1.00 0.00 C ATOM 735 O GLN A 47 4.466 -7.046 -8.223 1.00 0.00 O ATOM 736 CB GLN A 47 6.568 -8.724 -6.142 1.00 0.00 C ATOM 737 CG GLN A 47 7.914 -8.998 -6.814 1.00 0.00 C ATOM 738 CD GLN A 47 8.141 -10.501 -6.995 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.360 -11.202 -7.619 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.249 -10.954 -6.417 1.00 0.00 N ATOM 0 H GLN A 47 6.585 -6.881 -4.474 1.00 0.00 H new ATOM 0 HA GLN A 47 6.746 -6.887 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.665 -8.845 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.833 -9.455 -6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.948 -8.502 -7.784 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.718 -8.575 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.859 -10.312 -5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.490 -11.943 -6.481 1.00 0.00 H new ATOM 749 N THR A 48 3.711 -7.708 -6.197 1.00 0.00 N ATOM 750 CA THR A 48 2.321 -7.783 -6.616 1.00 0.00 C ATOM 751 C THR A 48 1.857 -6.434 -7.167 1.00 0.00 C ATOM 752 O THR A 48 1.589 -6.305 -8.360 1.00 0.00 O ATOM 753 CB THR A 48 1.494 -8.271 -5.425 1.00 0.00 C ATOM 754 OG1 THR A 48 1.780 -9.665 -5.351 1.00 0.00 O ATOM 755 CG2 THR A 48 -0.011 -8.212 -5.694 1.00 0.00 C ATOM 0 H THR A 48 3.876 -7.954 -5.221 1.00 0.00 H new ATOM 0 HA THR A 48 2.191 -8.493 -7.432 1.00 0.00 H new ATOM 0 HB THR A 48 1.730 -7.668 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.322 -9.846 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.552 -8.569 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.303 -7.183 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.252 -8.841 -6.550 1.00 0.00 H new ATOM 763 N LEU A 49 1.776 -5.461 -6.271 1.00 0.00 N ATOM 764 CA LEU A 49 1.348 -4.126 -6.652 1.00 0.00 C ATOM 765 C LEU A 49 2.081 -3.705 -7.927 1.00 0.00 C ATOM 766 O LEU A 49 1.584 -2.876 -8.688 1.00 0.00 O ATOM 767 CB LEU A 49 1.532 -3.151 -5.487 1.00 0.00 C ATOM 768 CG LEU A 49 0.836 -3.531 -4.179 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.108 -2.490 -3.091 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.662 -3.751 -4.398 1.00 0.00 C ATOM 0 H LEU A 49 2.000 -5.571 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 49 0.282 -4.118 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.599 -3.047 -5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.168 -2.172 -5.798 1.00 0.00 H new ATOM 0 HG LEU A 49 1.253 -4.477 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.602 -2.784 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.181 -2.425 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.735 -1.519 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.132 -4.020 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.112 -2.835 -4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.810 -4.555 -5.119 1.00 0.00 H new ATOM 782 N SER A 50 3.251 -4.296 -8.122 1.00 0.00 N ATOM 783 CA SER A 50 4.057 -3.993 -9.292 1.00 0.00 C ATOM 784 C SER A 50 3.231 -4.196 -10.564 1.00 0.00 C ATOM 785 O SER A 50 3.320 -3.403 -11.500 1.00 0.00 O ATOM 786 CB SER A 50 5.316 -4.860 -9.333 1.00 0.00 C ATOM 787 OG SER A 50 6.416 -4.177 -9.928 1.00 0.00 O ATOM 0 H SER A 50 3.660 -4.983 -7.489 1.00 0.00 H new ATOM 0 HA SER A 50 4.369 -2.950 -9.232 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.582 -5.161 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.110 -5.772 -9.893 1.00 0.00 H new ATOM 0 HG SER A 50 7.201 -4.764 -9.934 1.00 0.00 H new ATOM 793 N TRP A 51 2.445 -5.263 -10.556 1.00 0.00 N ATOM 794 CA TRP A 51 1.604 -5.580 -11.698 1.00 0.00 C ATOM 795 C TRP A 51 0.147 -5.359 -11.287 1.00 0.00 C ATOM 796 O TRP A 51 -0.683 -4.976 -12.110 1.00 0.00 O ATOM 797 CB TRP A 51 1.874 -7.000 -12.200 1.00 0.00 C ATOM 798 CG TRP A 51 1.944 -8.050 -11.090 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.028 -8.487 -10.434 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.834 -8.783 -10.529 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.700 -9.443 -9.495 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.323 -9.630 -9.555 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.537 -8.733 -10.835 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.510 -10.489 -8.807 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.337 -9.598 -10.079 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.860 -10.456 -9.094 1.00 0.00 C ATOM 0 H TRP A 51 2.373 -5.918 -9.778 1.00 0.00 H new ATOM 0 HA TRP A 51 1.832 -4.925 -12.539 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.090 -7.281 -12.903 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.814 -7.007 -12.752 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.032 -8.135 -10.617 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.348 -9.924 -8.871 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.941 -8.079 -11.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.917 -11.142 -8.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.399 -9.599 -10.274 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.543 -11.094 -8.553 1.00 0.00 H new ATOM 817 N LYS A 52 -0.121 -5.609 -10.013 1.00 0.00 N ATOM 818 CA LYS A 52 -1.463 -5.442 -9.483 1.00 0.00 C ATOM 819 C LYS A 52 -1.889 -3.981 -9.638 1.00 0.00 C ATOM 820 O LYS A 52 -3.066 -3.693 -9.854 1.00 0.00 O ATOM 821 CB LYS A 52 -1.539 -5.956 -8.044 1.00 0.00 C ATOM 822 CG LYS A 52 -1.954 -7.428 -8.009 1.00 0.00 C ATOM 823 CD LYS A 52 -2.948 -7.690 -6.875 1.00 0.00 C ATOM 824 CE LYS A 52 -4.390 -7.621 -7.383 1.00 0.00 C ATOM 825 NZ LYS A 52 -5.044 -8.943 -7.268 1.00 0.00 N ATOM 0 H LYS A 52 0.570 -5.926 -9.333 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.174 -6.044 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.570 -5.836 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.254 -5.359 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.403 -7.706 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.072 -8.055 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.758 -8.671 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.802 -6.956 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.949 -6.881 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.400 -7.293 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.886 -8.968 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.380 -9.686 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.326 -9.106 -6.280 1.00 0.00 H new ATOM 839 N TYR A 53 -0.910 -3.096 -9.521 1.00 0.00 N ATOM 840 CA TYR A 53 -1.169 -1.672 -9.645 1.00 0.00 C ATOM 841 C TYR A 53 0.124 -0.901 -9.920 1.00 0.00 C ATOM 842 O TYR A 53 0.745 -0.374 -8.998 1.00 0.00 O ATOM 843 CB TYR A 53 -1.736 -1.227 -8.296 1.00 0.00 C ATOM 844 CG TYR A 53 -2.918 -2.069 -7.810 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.197 -1.774 -8.238 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.706 -3.123 -6.944 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.309 -2.566 -7.780 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.818 -3.915 -6.487 1.00 0.00 C ATOM 849 CZ TYR A 53 -5.065 -3.597 -6.928 1.00 0.00 C ATOM 850 OH TYR A 53 -6.116 -4.345 -6.496 1.00 0.00 O ATOM 0 H TYR A 53 0.064 -3.338 -9.342 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.853 -1.477 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.943 -1.267 -7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.051 -0.186 -8.371 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.363 -0.950 -8.916 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.705 -3.354 -6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.315 -2.346 -8.106 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.666 -4.742 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.792 -5.047 -5.894 1.00 0.00 H new ATOM 860 N PRO A 54 0.502 -0.859 -11.226 1.00 0.00 N ATOM 861 CA PRO A 54 1.710 -0.162 -11.633 1.00 0.00 C ATOM 862 C PRO A 54 1.503 1.354 -11.609 1.00 0.00 C ATOM 863 O PRO A 54 2.415 2.103 -11.263 1.00 0.00 O ATOM 864 CB PRO A 54 2.022 -0.696 -13.022 1.00 0.00 C ATOM 865 CG PRO A 54 0.733 -1.321 -13.528 1.00 0.00 C ATOM 866 CD PRO A 54 -0.208 -1.472 -12.344 1.00 0.00 C ATOM 0 HA PRO A 54 2.546 -0.337 -10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.353 0.105 -13.683 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.825 -1.432 -12.986 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.281 -0.695 -14.297 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.932 -2.291 -13.983 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.160 -0.975 -12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.429 -2.521 -12.145 1.00 0.00 H new ATOM 874 N LYS A 55 0.297 1.760 -11.979 1.00 0.00 N ATOM 875 CA LYS A 55 -0.041 3.173 -12.004 1.00 0.00 C ATOM 876 C LYS A 55 -1.440 3.368 -11.415 1.00 0.00 C ATOM 877 O LYS A 55 -2.436 3.003 -12.038 1.00 0.00 O ATOM 878 CB LYS A 55 0.115 3.737 -13.417 1.00 0.00 C ATOM 879 CG LYS A 55 -0.618 2.866 -14.439 1.00 0.00 C ATOM 880 CD LYS A 55 -1.450 3.724 -15.394 1.00 0.00 C ATOM 881 CE LYS A 55 -1.065 3.455 -16.850 1.00 0.00 C ATOM 882 NZ LYS A 55 -2.123 2.673 -17.530 1.00 0.00 N ATOM 0 H LYS A 55 -0.458 1.136 -12.264 1.00 0.00 H new ATOM 0 HA LYS A 55 0.650 3.741 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.277 4.753 -13.452 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.173 3.794 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.104 2.280 -15.007 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.266 2.159 -13.921 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.509 3.512 -15.249 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.301 4.779 -15.164 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.910 4.399 -17.372 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.121 2.911 -16.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.846 2.499 -18.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.251 1.764 -17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.016 3.206 -17.510 1.00 0.00 H new ATOM 896 N GLY A 56 -1.470 3.944 -10.222 1.00 0.00 N ATOM 897 CA GLY A 56 -2.730 4.192 -9.542 1.00 0.00 C ATOM 898 C GLY A 56 -2.494 4.711 -8.122 1.00 0.00 C ATOM 899 O GLY A 56 -3.137 5.668 -7.693 1.00 0.00 O ATOM 0 H GLY A 56 -0.642 4.246 -9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.315 4.919 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.314 3.273 -9.505 1.00 0.00 H new ATOM 903 N ILE A 57 -1.571 4.057 -7.433 1.00 0.00 N ATOM 904 CA ILE A 57 -1.242 4.440 -6.071 1.00 0.00 C ATOM 905 C ILE A 57 0.270 4.640 -5.952 1.00 0.00 C ATOM 906 O ILE A 57 0.993 4.531 -6.941 1.00 0.00 O ATOM 907 CB ILE A 57 -1.807 3.423 -5.077 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.196 2.038 -5.303 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.336 3.391 -5.134 1.00 0.00 C ATOM 910 CD1 ILE A 57 -2.041 1.219 -6.281 1.00 0.00 C ATOM 0 H ILE A 57 -1.040 3.264 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.711 5.392 -5.820 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.529 3.738 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.183 2.142 -5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.120 1.510 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.712 2.660 -4.418 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.730 4.377 -4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.657 3.113 -6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.585 0.239 -6.424 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.046 1.096 -5.878 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.095 1.738 -7.238 1.00 0.00 H new ATOM 922 N HIS A 58 0.703 4.931 -4.734 1.00 0.00 N ATOM 923 CA HIS A 58 2.115 5.147 -4.474 1.00 0.00 C ATOM 924 C HIS A 58 2.515 4.433 -3.182 1.00 0.00 C ATOM 925 O HIS A 58 2.029 4.772 -2.104 1.00 0.00 O ATOM 926 CB HIS A 58 2.440 6.642 -4.449 1.00 0.00 C ATOM 927 CG HIS A 58 3.641 6.996 -3.605 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.826 7.463 -4.146 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.827 6.947 -2.255 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.680 7.681 -3.157 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.060 7.360 -1.986 1.00 0.00 N ATOM 0 H HIS A 58 0.100 5.022 -3.916 1.00 0.00 H new ATOM 0 HA HIS A 58 2.706 4.718 -5.283 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.613 6.983 -5.470 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.573 7.186 -4.074 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.011 7.614 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.096 6.627 -1.528 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.690 8.049 -3.260 1.00 0.00 H new ATOM 939 N VAL A 59 3.397 3.455 -3.332 1.00 0.00 N ATOM 940 CA VAL A 59 3.867 2.689 -2.191 1.00 0.00 C ATOM 941 C VAL A 59 5.120 3.355 -1.617 1.00 0.00 C ATOM 942 O VAL A 59 6.025 3.728 -2.361 1.00 0.00 O ATOM 943 CB VAL A 59 4.098 1.232 -2.597 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.461 0.375 -1.383 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.875 0.666 -3.322 1.00 0.00 C ATOM 0 H VAL A 59 3.798 3.176 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 59 3.114 2.677 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 59 4.940 1.206 -3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.620 -0.656 -1.700 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.373 0.759 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.649 0.410 -0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.064 -0.371 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.008 0.712 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.680 1.253 -4.220 1.00 0.00 H new ATOM 955 N GLU A 60 5.131 3.483 -0.298 1.00 0.00 N ATOM 956 CA GLU A 60 6.257 4.098 0.384 1.00 0.00 C ATOM 957 C GLU A 60 6.560 3.352 1.686 1.00 0.00 C ATOM 958 O GLU A 60 5.674 2.731 2.270 1.00 0.00 O ATOM 959 CB GLU A 60 5.994 5.581 0.651 1.00 0.00 C ATOM 960 CG GLU A 60 4.651 5.782 1.355 1.00 0.00 C ATOM 961 CD GLU A 60 4.233 7.253 1.330 1.00 0.00 C ATOM 962 OE1 GLU A 60 3.928 7.738 0.219 1.00 0.00 O ATOM 963 OE2 GLU A 60 4.229 7.861 2.422 1.00 0.00 O ATOM 0 H GLU A 60 4.378 3.171 0.316 1.00 0.00 H new ATOM 0 HA GLU A 60 7.131 4.029 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.796 5.991 1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.001 6.130 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.887 5.175 0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.722 5.438 2.387 1.00 0.00 H new ATOM 970 N THR A 61 7.816 3.438 2.101 1.00 0.00 N ATOM 971 CA THR A 61 8.247 2.779 3.322 1.00 0.00 C ATOM 972 C THR A 61 8.567 3.814 4.402 1.00 0.00 C ATOM 973 O THR A 61 9.610 4.465 4.353 1.00 0.00 O ATOM 974 CB THR A 61 9.431 1.873 2.978 1.00 0.00 C ATOM 975 OG1 THR A 61 8.838 0.773 2.292 1.00 0.00 O ATOM 976 CG2 THR A 61 10.064 1.241 4.219 1.00 0.00 C ATOM 0 H THR A 61 8.548 3.954 1.613 1.00 0.00 H new ATOM 0 HA THR A 61 7.454 2.157 3.737 1.00 0.00 H new ATOM 0 HB THR A 61 10.184 2.448 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.774 0.980 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.899 0.608 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.424 2.026 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.320 0.638 4.740 1.00 0.00 H new ATOM 1127 N HIS A 70 7.469 0.394 7.878 1.00 0.00 N ATOM 1128 CA HIS A 70 6.199 -0.195 7.491 1.00 0.00 C ATOM 1129 C HIS A 70 5.790 0.328 6.112 1.00 0.00 C ATOM 1130 O HIS A 70 6.063 1.479 5.775 1.00 0.00 O ATOM 1131 CB HIS A 70 5.134 0.058 8.560 1.00 0.00 C ATOM 1132 CG HIS A 70 4.354 1.335 8.360 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.986 1.353 8.149 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.763 2.636 8.342 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.600 2.613 8.011 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.703 3.407 8.130 1.00 0.00 N ATOM 0 HA HIS A 70 6.304 -1.277 7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.439 -0.782 8.572 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.615 0.088 9.538 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.378 0.535 8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.778 2.981 8.477 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.590 2.952 7.835 1.00 0.00 H new ATOM 1144 N ILE A 71 5.141 -0.543 5.353 1.00 0.00 N ATOM 1145 CA ILE A 71 4.692 -0.184 4.019 1.00 0.00 C ATOM 1146 C ILE A 71 3.477 0.739 4.126 1.00 0.00 C ATOM 1147 O ILE A 71 2.618 0.544 4.984 1.00 0.00 O ATOM 1148 CB ILE A 71 4.438 -1.440 3.183 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.750 -2.014 2.643 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.432 -1.161 2.065 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.549 -3.432 2.107 1.00 0.00 C ATOM 0 H ILE A 71 4.916 -1.496 5.637 1.00 0.00 H new ATOM 0 HA ILE A 71 5.469 0.370 3.492 1.00 0.00 H new ATOM 0 HB ILE A 71 3.997 -2.198 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.132 -1.372 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.500 -2.023 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.270 -2.070 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.487 -0.834 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.821 -0.380 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.497 -3.816 1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.190 -4.077 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.817 -3.415 1.300 1.00 0.00 H new ATOM 1163 N VAL A 72 3.443 1.725 3.242 1.00 0.00 N ATOM 1164 CA VAL A 72 2.347 2.680 3.226 1.00 0.00 C ATOM 1165 C VAL A 72 1.950 2.969 1.777 1.00 0.00 C ATOM 1166 O VAL A 72 2.811 3.142 0.916 1.00 0.00 O ATOM 1167 CB VAL A 72 2.739 3.939 4.002 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.903 5.140 3.555 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.614 3.715 5.510 1.00 0.00 C ATOM 0 H VAL A 72 4.157 1.884 2.531 1.00 0.00 H new ATOM 0 HA VAL A 72 1.471 2.266 3.726 1.00 0.00 H new ATOM 0 HB VAL A 72 3.784 4.157 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.201 6.022 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.064 5.320 2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.847 4.935 3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.899 4.625 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.583 3.460 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.271 2.900 5.812 1.00 0.00 H new ATOM 1179 N ILE A 73 0.645 3.014 1.553 1.00 0.00 N ATOM 1180 CA ILE A 73 0.123 3.279 0.223 1.00 0.00 C ATOM 1181 C ILE A 73 -0.509 4.673 0.197 1.00 0.00 C ATOM 1182 O ILE A 73 -0.975 5.166 1.223 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.830 2.164 -0.211 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.067 0.866 -0.482 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.669 2.598 -1.415 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.136 0.070 0.809 1.00 0.00 C ATOM 0 H ILE A 73 -0.066 2.871 2.270 1.00 0.00 H new ATOM 0 HA ILE A 73 0.930 3.280 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.521 1.966 0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.616 0.261 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.901 1.095 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.338 1.787 -1.703 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.257 3.477 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.010 2.839 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.681 -0.848 0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.706 0.669 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.834 -0.178 1.240 1.00 0.00 H new ATOM 1198 N SER A 74 -0.505 5.268 -0.987 1.00 0.00 N ATOM 1199 CA SER A 74 -1.071 6.594 -1.160 1.00 0.00 C ATOM 1200 C SER A 74 -1.903 6.645 -2.443 1.00 0.00 C ATOM 1201 O SER A 74 -1.725 5.817 -3.335 1.00 0.00 O ATOM 1202 CB SER A 74 0.025 7.661 -1.195 1.00 0.00 C ATOM 1203 OG SER A 74 -0.258 8.686 -2.144 1.00 0.00 O ATOM 0 H SER A 74 -0.118 4.855 -1.836 1.00 0.00 H new ATOM 0 HA SER A 74 -1.717 6.804 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.132 8.103 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.979 7.193 -1.440 1.00 0.00 H new ATOM 0 HG SER A 74 0.464 9.349 -2.135 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.793 7.624 -2.495 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.652 7.794 -3.655 1.00 0.00 C ATOM 1211 C LYS A 75 -2.882 8.530 -4.752 1.00 0.00 C ATOM 1212 O LYS A 75 -2.331 9.604 -4.515 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.961 8.479 -3.256 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.031 7.448 -2.893 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.430 8.064 -2.955 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.439 7.076 -3.545 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.500 7.797 -4.283 1.00 0.00 N ATOM 0 H LYS A 75 -2.938 8.308 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.938 6.824 -4.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.786 9.140 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.315 9.102 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.972 6.601 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.844 7.062 -1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.746 8.358 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.406 8.970 -3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.929 6.383 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.883 6.481 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.176 7.112 -4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.997 8.441 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.073 8.346 -5.057 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.867 7.924 -5.930 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.173 8.509 -7.065 1.00 0.00 C ATOM 1233 C VAL A 76 -3.129 8.587 -8.257 1.00 0.00 C ATOM 1234 O VAL A 76 -4.167 7.926 -8.269 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.903 7.712 -7.368 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.211 8.242 -8.626 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.051 7.724 -6.172 1.00 0.00 C ATOM 0 H VAL A 76 -3.325 7.033 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.856 9.526 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.193 6.678 -7.554 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.689 7.658 -8.819 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.888 8.158 -9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.059 9.288 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.946 7.150 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.331 8.752 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.443 7.279 -5.308 1.00 0.00 H new