USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 780 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 Single : A 1 MET CE :methyl -150:sc= -10.5! (180deg=-12.9!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -5.02! USER MOD Single : A 20 HIS :FLIP no HD1:sc= -8.47! C(o=-9.3!,f=-8.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 40 SER OG : rot 180:sc= -0.348 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 57 HIS : no HD1:sc= -13.3! C(o=-13!,f=-13!) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc=-0.00622 (180deg=-0.0923) USER MOD Single : A 76 SER OG : rot 180:sc= 0.256 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.886 4.993 -7.726 1.00 0.00 N ATOM 37 CA MET A 1 12.463 4.938 -7.440 1.00 0.00 C ATOM 38 C MET A 1 11.640 5.302 -8.678 1.00 0.00 C ATOM 39 O MET A 1 11.282 6.463 -8.870 1.00 0.00 O ATOM 40 CB MET A 1 12.132 5.908 -6.304 1.00 0.00 C ATOM 41 CG MET A 1 11.312 5.217 -5.213 1.00 0.00 C ATOM 42 SD MET A 1 12.208 3.810 -4.576 1.00 0.00 S ATOM 43 CE MET A 1 10.957 2.547 -4.737 1.00 0.00 C ATOM 0 H1 MET A 1 14.422 4.742 -6.871 1.00 0.00 H new ATOM 0 H2 MET A 1 14.113 4.321 -8.487 1.00 0.00 H new ATOM 0 H3 MET A 1 14.143 5.955 -8.026 1.00 0.00 H new ATOM 0 HA MET A 1 12.210 3.919 -7.145 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.054 6.301 -5.876 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.576 6.759 -6.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.099 5.919 -4.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.352 4.895 -5.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.097 1.795 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.970 2.997 -4.633 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.040 2.076 -5.716 1.00 0.00 H new ATOM 53 N ASP A 2 11.365 4.288 -9.485 1.00 0.00 N ATOM 54 CA ASP A 2 10.591 4.486 -10.698 1.00 0.00 C ATOM 55 C ASP A 2 9.363 3.574 -10.670 1.00 0.00 C ATOM 56 O ASP A 2 9.285 2.658 -9.854 1.00 0.00 O ATOM 57 CB ASP A 2 11.414 4.134 -11.939 1.00 0.00 C ATOM 58 CG ASP A 2 12.484 5.159 -12.319 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.083 5.727 -11.381 1.00 0.00 O ATOM 60 OD2 ASP A 2 12.677 5.352 -13.539 1.00 0.00 O ATOM 0 H ASP A 2 11.665 3.327 -9.322 1.00 0.00 H new ATOM 0 HA ASP A 2 10.299 5.535 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.897 3.171 -11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.735 4.010 -12.783 1.00 0.00 H new ATOM 65 N LEU A 3 8.434 3.858 -11.571 1.00 0.00 N ATOM 66 CA LEU A 3 7.214 3.075 -11.660 1.00 0.00 C ATOM 67 C LEU A 3 7.559 1.646 -12.084 1.00 0.00 C ATOM 68 O LEU A 3 7.086 0.684 -11.480 1.00 0.00 O ATOM 69 CB LEU A 3 6.202 3.761 -12.580 1.00 0.00 C ATOM 70 CG LEU A 3 5.173 4.661 -11.893 1.00 0.00 C ATOM 71 CD1 LEU A 3 5.527 6.138 -12.074 1.00 0.00 C ATOM 72 CD2 LEU A 3 3.757 4.347 -12.382 1.00 0.00 C ATOM 0 H LEU A 3 8.502 4.620 -12.246 1.00 0.00 H new ATOM 0 HA LEU A 3 6.732 3.011 -10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.750 4.359 -13.308 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.668 2.992 -13.137 1.00 0.00 H new ATOM 0 HG LEU A 3 5.198 4.453 -10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.779 6.755 -11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.507 6.333 -11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.547 6.380 -13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.045 5.001 -11.878 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.700 4.509 -13.458 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.517 3.308 -12.158 1.00 0.00 H new ATOM 84 N GLU A 4 8.382 1.552 -13.118 1.00 0.00 N ATOM 85 CA GLU A 4 8.797 0.257 -13.629 1.00 0.00 C ATOM 86 C GLU A 4 9.496 -0.548 -12.532 1.00 0.00 C ATOM 87 O GLU A 4 9.232 -1.739 -12.366 1.00 0.00 O ATOM 88 CB GLU A 4 9.700 0.414 -14.854 1.00 0.00 C ATOM 89 CG GLU A 4 8.872 0.543 -16.133 1.00 0.00 C ATOM 90 CD GLU A 4 9.505 1.550 -17.097 1.00 0.00 C ATOM 91 OE1 GLU A 4 9.611 2.729 -16.696 1.00 0.00 O ATOM 92 OE2 GLU A 4 9.868 1.117 -18.212 1.00 0.00 O ATOM 0 H GLU A 4 8.773 2.352 -13.616 1.00 0.00 H new ATOM 0 HA GLU A 4 7.907 -0.289 -13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.331 1.295 -14.735 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.365 -0.446 -14.932 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.792 -0.430 -16.618 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.859 0.859 -15.884 1.00 0.00 H new ATOM 99 N THR A 5 10.373 0.133 -11.810 1.00 0.00 N ATOM 100 CA THR A 5 11.111 -0.503 -10.732 1.00 0.00 C ATOM 101 C THR A 5 10.178 -0.826 -9.564 1.00 0.00 C ATOM 102 O THR A 5 10.373 -1.819 -8.865 1.00 0.00 O ATOM 103 CB THR A 5 12.272 0.416 -10.347 1.00 0.00 C ATOM 104 OG1 THR A 5 13.362 -0.050 -11.138 1.00 0.00 O ATOM 105 CG2 THR A 5 12.738 0.198 -8.906 1.00 0.00 C ATOM 0 H THR A 5 10.589 1.120 -11.950 1.00 0.00 H new ATOM 0 HA THR A 5 11.526 -1.460 -11.048 1.00 0.00 H new ATOM 0 HB THR A 5 11.970 1.455 -10.478 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.157 0.492 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.563 0.875 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.912 0.396 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.071 -0.833 -8.783 1.00 0.00 H new ATOM 113 N LEU A 6 9.184 0.032 -9.388 1.00 0.00 N ATOM 114 CA LEU A 6 8.220 -0.149 -8.316 1.00 0.00 C ATOM 115 C LEU A 6 7.538 -1.510 -8.474 1.00 0.00 C ATOM 116 O LEU A 6 7.337 -2.225 -7.493 1.00 0.00 O ATOM 117 CB LEU A 6 7.242 1.027 -8.270 1.00 0.00 C ATOM 118 CG LEU A 6 7.617 2.174 -7.329 1.00 0.00 C ATOM 119 CD1 LEU A 6 9.118 2.171 -7.031 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.146 3.518 -7.888 1.00 0.00 C ATOM 0 H LEU A 6 9.025 0.855 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 6 8.722 -0.154 -7.349 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.140 1.429 -9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.263 0.648 -7.977 1.00 0.00 H new ATOM 0 HG LEU A 6 7.101 2.021 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.357 2.996 -6.360 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.393 1.228 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.674 2.287 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.425 4.316 -7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.614 3.693 -8.857 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.063 3.503 -8.006 1.00 0.00 H new ATOM 132 N ARG A 7 7.201 -1.826 -9.715 1.00 0.00 N ATOM 133 CA ARG A 7 6.546 -3.088 -10.014 1.00 0.00 C ATOM 134 C ARG A 7 7.401 -4.259 -9.525 1.00 0.00 C ATOM 135 O ARG A 7 6.874 -5.319 -9.190 1.00 0.00 O ATOM 136 CB ARG A 7 6.299 -3.239 -11.517 1.00 0.00 C ATOM 137 CG ARG A 7 5.894 -1.903 -12.142 1.00 0.00 C ATOM 138 CD ARG A 7 4.875 -1.173 -11.265 1.00 0.00 C ATOM 139 NE ARG A 7 3.833 -0.549 -12.110 1.00 0.00 N ATOM 140 CZ ARG A 7 2.944 -1.239 -12.838 1.00 0.00 C ATOM 141 NH1 ARG A 7 2.965 -2.579 -12.827 1.00 0.00 N ATOM 142 NH2 ARG A 7 2.034 -0.590 -13.576 1.00 0.00 N ATOM 0 H ARG A 7 7.369 -1.230 -10.526 1.00 0.00 H new ATOM 0 HA ARG A 7 5.586 -3.093 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.201 -3.613 -12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.516 -3.977 -11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.777 -1.278 -12.277 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.471 -2.074 -13.132 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.417 -1.873 -10.566 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.376 -0.410 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 7 3.788 0.470 -12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.657 -3.074 -12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.288 -3.104 -13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.017 0.430 -13.584 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.358 -1.116 -14.130 1.00 0.00 H new ATOM 156 N ALA A 8 8.705 -4.028 -9.500 1.00 0.00 N ATOM 157 CA ALA A 8 9.638 -5.050 -9.057 1.00 0.00 C ATOM 158 C ALA A 8 9.308 -5.447 -7.617 1.00 0.00 C ATOM 159 O ALA A 8 9.076 -6.620 -7.330 1.00 0.00 O ATOM 160 CB ALA A 8 11.070 -4.534 -9.206 1.00 0.00 C ATOM 0 H ALA A 8 9.138 -3.148 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 8 9.548 -5.944 -9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.770 -5.301 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.264 -4.295 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.199 -3.638 -8.599 1.00 0.00 H new ATOM 166 N ARG A 9 9.298 -4.446 -6.749 1.00 0.00 N ATOM 167 CA ARG A 9 9.000 -4.675 -5.345 1.00 0.00 C ATOM 168 C ARG A 9 7.492 -4.835 -5.142 1.00 0.00 C ATOM 169 O ARG A 9 7.056 -5.566 -4.254 1.00 0.00 O ATOM 170 CB ARG A 9 9.505 -3.520 -4.479 1.00 0.00 C ATOM 171 CG ARG A 9 8.576 -2.309 -4.584 1.00 0.00 C ATOM 172 CD ARG A 9 9.316 -1.098 -5.156 1.00 0.00 C ATOM 173 NE ARG A 9 10.221 -1.526 -6.246 1.00 0.00 N ATOM 174 CZ ARG A 9 11.545 -1.679 -6.106 1.00 0.00 C ATOM 175 NH1 ARG A 9 12.126 -1.441 -4.922 1.00 0.00 N ATOM 176 NH2 ARG A 9 12.288 -2.071 -7.150 1.00 0.00 N ATOM 0 H ARG A 9 9.492 -3.474 -6.991 1.00 0.00 H new ATOM 0 HA ARG A 9 9.510 -5.590 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.572 -3.842 -3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.511 -3.239 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.725 -2.553 -5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.178 -2.065 -3.599 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.599 -0.368 -5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.888 -0.606 -4.369 1.00 0.00 H new ATOM 0 HE ARG A 9 9.812 -1.716 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.560 -1.143 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.134 -1.558 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.846 -2.253 -8.051 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.296 -2.187 -7.044 1.00 0.00 H new ATOM 190 N ARG A 10 6.737 -4.139 -5.979 1.00 0.00 N ATOM 191 CA ARG A 10 5.287 -4.194 -5.903 1.00 0.00 C ATOM 192 C ARG A 10 4.804 -5.640 -6.030 1.00 0.00 C ATOM 193 O ARG A 10 3.808 -6.022 -5.417 1.00 0.00 O ATOM 194 CB ARG A 10 4.645 -3.350 -7.005 1.00 0.00 C ATOM 195 CG ARG A 10 3.808 -2.216 -6.409 1.00 0.00 C ATOM 196 CD ARG A 10 4.701 -1.080 -5.907 1.00 0.00 C ATOM 197 NE ARG A 10 5.066 -1.312 -4.491 1.00 0.00 N ATOM 198 CZ ARG A 10 4.183 -1.350 -3.484 1.00 0.00 C ATOM 199 NH1 ARG A 10 2.878 -1.172 -3.731 1.00 0.00 N ATOM 200 NH2 ARG A 10 4.604 -1.565 -2.231 1.00 0.00 N ATOM 0 H ARG A 10 7.103 -3.533 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 10 4.990 -3.792 -4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.421 -2.935 -7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.015 -3.981 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.117 -1.835 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.204 -2.599 -5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.602 -1.017 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.181 -0.127 -6.006 1.00 0.00 H new ATOM 0 HE ARG A 10 6.052 -1.452 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.557 -1.008 -4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.205 -1.201 -2.965 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.597 -1.700 -2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.931 -1.594 -1.465 1.00 0.00 H new ATOM 214 N GLU A 11 5.531 -6.406 -6.831 1.00 0.00 N ATOM 215 CA GLU A 11 5.189 -7.801 -7.047 1.00 0.00 C ATOM 216 C GLU A 11 5.571 -8.636 -5.823 1.00 0.00 C ATOM 217 O GLU A 11 4.768 -9.430 -5.334 1.00 0.00 O ATOM 218 CB GLU A 11 5.861 -8.341 -8.310 1.00 0.00 C ATOM 219 CG GLU A 11 4.829 -8.621 -9.404 1.00 0.00 C ATOM 220 CD GLU A 11 5.397 -9.563 -10.467 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.154 -9.059 -11.326 1.00 0.00 O ATOM 222 OE2 GLU A 11 5.063 -10.765 -10.398 1.00 0.00 O ATOM 0 H GLU A 11 6.356 -6.086 -7.338 1.00 0.00 H new ATOM 0 HA GLU A 11 4.111 -7.873 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.594 -7.620 -8.673 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.404 -9.256 -8.074 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.936 -9.063 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.524 -7.684 -9.869 1.00 0.00 H new ATOM 229 N ALA A 12 6.796 -8.429 -5.363 1.00 0.00 N ATOM 230 CA ALA A 12 7.293 -9.153 -4.206 1.00 0.00 C ATOM 231 C ALA A 12 6.634 -8.599 -2.941 1.00 0.00 C ATOM 232 O ALA A 12 6.193 -9.361 -2.082 1.00 0.00 O ATOM 233 CB ALA A 12 8.819 -9.055 -4.159 1.00 0.00 C ATOM 0 H ALA A 12 7.459 -7.770 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 12 7.036 -10.210 -4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.192 -9.598 -3.291 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.240 -9.488 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.114 -8.008 -4.086 1.00 0.00 H new ATOM 239 N VAL A 13 6.589 -7.277 -2.866 1.00 0.00 N ATOM 240 CA VAL A 13 5.991 -6.612 -1.721 1.00 0.00 C ATOM 241 C VAL A 13 4.555 -7.109 -1.540 1.00 0.00 C ATOM 242 O VAL A 13 4.137 -7.417 -0.425 1.00 0.00 O ATOM 243 CB VAL A 13 6.081 -5.094 -1.891 1.00 0.00 C ATOM 244 CG1 VAL A 13 5.287 -4.372 -0.801 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.539 -4.630 -1.905 1.00 0.00 C ATOM 0 H VAL A 13 6.957 -6.648 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 13 6.537 -6.857 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 13 5.638 -4.838 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.368 -3.295 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.240 -4.668 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.687 -4.638 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.575 -3.547 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.018 -4.905 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.064 -5.106 -2.733 1.00 0.00 H new ATOM 255 N LEU A 14 3.840 -7.172 -2.654 1.00 0.00 N ATOM 256 CA LEU A 14 2.460 -7.626 -2.632 1.00 0.00 C ATOM 257 C LEU A 14 2.402 -9.039 -2.048 1.00 0.00 C ATOM 258 O LEU A 14 1.537 -9.339 -1.227 1.00 0.00 O ATOM 259 CB LEU A 14 1.836 -7.510 -4.024 1.00 0.00 C ATOM 260 CG LEU A 14 1.159 -6.176 -4.347 1.00 0.00 C ATOM 261 CD1 LEU A 14 0.245 -6.306 -5.566 1.00 0.00 C ATOM 262 CD2 LEU A 14 0.414 -5.630 -3.127 1.00 0.00 C ATOM 0 H LEU A 14 4.190 -6.916 -3.577 1.00 0.00 H new ATOM 0 HA LEU A 14 1.859 -6.988 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.615 -7.688 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.099 -8.305 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 14 1.934 -5.453 -4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.223 -5.344 -5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.832 -6.618 -6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.526 -7.049 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.058 -4.682 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.350 -6.344 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.118 -5.475 -2.310 1.00 0.00 H new ATOM 274 N SER A 15 3.333 -9.868 -2.495 1.00 0.00 N ATOM 275 CA SER A 15 3.399 -11.242 -2.026 1.00 0.00 C ATOM 276 C SER A 15 3.722 -11.271 -0.531 1.00 0.00 C ATOM 277 O SER A 15 3.209 -12.114 0.202 1.00 0.00 O ATOM 278 CB SER A 15 4.441 -12.042 -2.810 1.00 0.00 C ATOM 279 OG SER A 15 3.871 -13.184 -3.445 1.00 0.00 O ATOM 0 H SER A 15 4.048 -9.615 -3.177 1.00 0.00 H new ATOM 0 HA SER A 15 2.426 -11.706 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.900 -11.400 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.236 -12.361 -2.136 1.00 0.00 H new ATOM 0 HG SER A 15 4.568 -13.667 -3.936 1.00 0.00 H new ATOM 285 N LEU A 16 4.570 -10.338 -0.124 1.00 0.00 N ATOM 286 CA LEU A 16 4.968 -10.246 1.271 1.00 0.00 C ATOM 287 C LEU A 16 3.839 -9.599 2.077 1.00 0.00 C ATOM 288 O LEU A 16 3.627 -9.942 3.239 1.00 0.00 O ATOM 289 CB LEU A 16 6.309 -9.520 1.399 1.00 0.00 C ATOM 290 CG LEU A 16 6.437 -8.550 2.575 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.895 -8.142 2.793 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.523 -7.337 2.388 1.00 0.00 C ATOM 0 H LEU A 16 4.993 -9.639 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 16 5.129 -11.240 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.098 -10.268 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.490 -8.968 0.477 1.00 0.00 H new ATOM 0 HG LEU A 16 6.108 -9.063 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.958 -7.452 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.493 -9.028 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.274 -7.654 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.634 -6.664 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.796 -6.813 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.487 -7.669 2.321 1.00 0.00 H new ATOM 304 N CYS A 17 3.145 -8.676 1.427 1.00 0.00 N ATOM 305 CA CYS A 17 2.044 -7.979 2.069 1.00 0.00 C ATOM 306 C CYS A 17 1.063 -9.022 2.607 1.00 0.00 C ATOM 307 O CYS A 17 0.549 -8.883 3.716 1.00 0.00 O ATOM 308 CB CYS A 17 1.364 -6.995 1.114 1.00 0.00 C ATOM 309 SG CYS A 17 1.752 -5.276 1.606 1.00 0.00 S ATOM 0 H CYS A 17 3.324 -8.395 0.463 1.00 0.00 H new ATOM 0 HA CYS A 17 2.423 -7.378 2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.701 -7.175 0.093 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.285 -7.151 1.126 1.00 0.00 H new ATOM 0 HG CYS A 17 1.172 -4.449 0.788 1.00 0.00 H new ATOM 315 N ALA A 18 0.833 -10.045 1.796 1.00 0.00 N ATOM 316 CA ALA A 18 -0.078 -11.112 2.177 1.00 0.00 C ATOM 317 C ALA A 18 0.422 -11.767 3.466 1.00 0.00 C ATOM 318 O ALA A 18 -0.375 -12.232 4.280 1.00 0.00 O ATOM 319 CB ALA A 18 -0.203 -12.111 1.026 1.00 0.00 C ATOM 0 H ALA A 18 1.261 -10.158 0.877 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.074 -10.715 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.886 -12.911 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.589 -11.602 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.777 -12.533 0.802 1.00 0.00 H new ATOM 325 N ARG A 19 1.739 -11.783 3.612 1.00 0.00 N ATOM 326 CA ARG A 19 2.355 -12.373 4.788 1.00 0.00 C ATOM 327 C ARG A 19 2.143 -11.473 6.007 1.00 0.00 C ATOM 328 O ARG A 19 2.249 -11.927 7.145 1.00 0.00 O ATOM 329 CB ARG A 19 3.854 -12.589 4.576 1.00 0.00 C ATOM 330 CG ARG A 19 4.173 -14.072 4.381 1.00 0.00 C ATOM 331 CD ARG A 19 4.428 -14.389 2.906 1.00 0.00 C ATOM 332 NE ARG A 19 5.303 -15.576 2.787 1.00 0.00 N ATOM 333 CZ ARG A 19 6.640 -15.535 2.864 1.00 0.00 C ATOM 334 NH1 ARG A 19 7.264 -14.366 3.061 1.00 0.00 N ATOM 335 NH2 ARG A 19 7.353 -16.663 2.745 1.00 0.00 N ATOM 0 H ARG A 19 2.397 -11.397 2.935 1.00 0.00 H new ATOM 0 HA ARG A 19 1.882 -13.340 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.187 -12.024 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.405 -12.205 5.434 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.050 -14.340 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.344 -14.677 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.482 -14.572 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.894 -13.533 2.417 1.00 0.00 H new ATOM 0 HE ARG A 19 4.861 -16.483 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.721 -13.507 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.282 -14.335 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.878 -17.553 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.371 -16.632 2.804 1.00 0.00 H new ATOM 349 N HIS A 20 1.848 -10.212 5.727 1.00 0.00 N ATOM 350 CA HIS A 20 1.621 -9.243 6.786 1.00 0.00 C ATOM 351 C HIS A 20 0.125 -9.164 7.097 1.00 0.00 C ATOM 352 O HIS A 20 -0.278 -8.529 8.070 1.00 0.00 O ATOM 353 CB HIS A 20 2.223 -7.886 6.419 1.00 0.00 C ATOM 354 CG HIS A 20 3.727 -7.831 6.530 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.700 -8.136 5.623 1.00 0.00 N flip ATOM 356 CD2 HIS A 20 4.380 -7.424 7.681 1.00 0.00 C flip ATOM 357 CE1 HIS A 20 5.882 -7.926 6.189 1.00 0.00 C flip ATOM 358 NE2 HIS A 20 5.686 -7.485 7.465 1.00 0.00 N flip ATOM 0 H HIS A 20 1.761 -9.839 4.782 1.00 0.00 H new ATOM 0 HA HIS A 20 2.129 -9.566 7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.935 -7.637 5.398 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.793 -7.122 7.067 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.906 -7.110 8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.841 -8.079 5.717 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.416 -7.244 8.135 1.00 0.00 H new ATOM 366 N GLY A 21 -0.658 -9.818 6.251 1.00 0.00 N ATOM 367 CA GLY A 21 -2.101 -9.829 6.423 1.00 0.00 C ATOM 368 C GLY A 21 -2.794 -9.065 5.293 1.00 0.00 C ATOM 369 O GLY A 21 -3.986 -9.250 5.054 1.00 0.00 O ATOM 0 H GLY A 21 -0.320 -10.344 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.460 -10.858 6.445 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.360 -9.381 7.382 1.00 0.00 H new ATOM 373 N ALA A 22 -2.017 -8.222 4.628 1.00 0.00 N ATOM 374 CA ALA A 22 -2.541 -7.429 3.529 1.00 0.00 C ATOM 375 C ALA A 22 -3.159 -8.360 2.484 1.00 0.00 C ATOM 376 O ALA A 22 -2.447 -9.109 1.816 1.00 0.00 O ATOM 377 CB ALA A 22 -1.424 -6.560 2.949 1.00 0.00 C ATOM 0 H ALA A 22 -1.029 -8.071 4.829 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.326 -6.759 3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.817 -5.965 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.039 -5.897 3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.619 -7.198 2.585 1.00 0.00 H new ATOM 383 N VAL A 23 -4.477 -8.283 2.375 1.00 0.00 N ATOM 384 CA VAL A 23 -5.199 -9.109 1.422 1.00 0.00 C ATOM 385 C VAL A 23 -5.602 -8.257 0.217 1.00 0.00 C ATOM 386 O VAL A 23 -5.306 -8.609 -0.924 1.00 0.00 O ATOM 387 CB VAL A 23 -6.393 -9.777 2.107 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.945 -10.574 3.334 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.458 -8.745 2.482 1.00 0.00 C ATOM 0 H VAL A 23 -5.064 -7.661 2.931 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.561 -9.912 1.054 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.839 -10.475 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.812 -11.039 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.240 -11.347 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.463 -9.905 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.295 -9.246 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.029 -8.011 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.809 -8.241 1.582 1.00 0.00 H new ATOM 399 N ARG A 24 -6.270 -7.151 0.511 1.00 0.00 N ATOM 400 CA ARG A 24 -6.716 -6.246 -0.534 1.00 0.00 C ATOM 401 C ARG A 24 -5.523 -5.502 -1.138 1.00 0.00 C ATOM 402 O ARG A 24 -5.343 -4.310 -0.896 1.00 0.00 O ATOM 403 CB ARG A 24 -7.720 -5.228 0.011 1.00 0.00 C ATOM 404 CG ARG A 24 -9.145 -5.785 -0.033 1.00 0.00 C ATOM 405 CD ARG A 24 -9.751 -5.632 -1.429 1.00 0.00 C ATOM 406 NE ARG A 24 -9.770 -6.941 -2.119 1.00 0.00 N ATOM 407 CZ ARG A 24 -9.820 -7.088 -3.450 1.00 0.00 C ATOM 408 NH1 ARG A 24 -9.856 -6.009 -4.242 1.00 0.00 N ATOM 409 NH2 ARG A 24 -9.834 -8.316 -3.988 1.00 0.00 N ATOM 0 H ARG A 24 -6.513 -6.861 1.458 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.203 -6.844 -1.304 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.459 -4.968 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.666 -4.310 -0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.137 -6.838 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.766 -5.264 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.764 -5.237 -1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.171 -4.914 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.743 -7.784 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.845 -5.075 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.894 -6.121 -5.255 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.807 -9.138 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.872 -8.429 -5.001 1.00 0.00 H new ATOM 423 N VAL A 25 -4.738 -6.238 -1.911 1.00 0.00 N ATOM 424 CA VAL A 25 -3.567 -5.663 -2.551 1.00 0.00 C ATOM 425 C VAL A 25 -4.012 -4.765 -3.707 1.00 0.00 C ATOM 426 O VAL A 25 -4.317 -5.251 -4.794 1.00 0.00 O ATOM 427 CB VAL A 25 -2.613 -6.775 -2.992 1.00 0.00 C ATOM 428 CG1 VAL A 25 -2.006 -7.488 -1.782 1.00 0.00 C ATOM 429 CG2 VAL A 25 -3.318 -7.769 -3.916 1.00 0.00 C ATOM 0 H VAL A 25 -4.890 -7.227 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.015 -5.039 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.800 -6.315 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.332 -8.274 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.451 -6.771 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.802 -7.928 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.617 -8.549 -4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.160 -8.220 -3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.680 -7.248 -4.802 1.00 0.00 H new ATOM 439 N ARG A 26 -4.035 -3.469 -3.432 1.00 0.00 N ATOM 440 CA ARG A 26 -4.438 -2.498 -4.435 1.00 0.00 C ATOM 441 C ARG A 26 -3.790 -1.141 -4.150 1.00 0.00 C ATOM 442 O ARG A 26 -3.429 -0.849 -3.011 1.00 0.00 O ATOM 443 CB ARG A 26 -5.959 -2.334 -4.463 1.00 0.00 C ATOM 444 CG ARG A 26 -6.540 -2.840 -5.785 1.00 0.00 C ATOM 445 CD ARG A 26 -7.604 -3.912 -5.540 1.00 0.00 C ATOM 446 NE ARG A 26 -7.838 -4.685 -6.781 1.00 0.00 N ATOM 447 CZ ARG A 26 -8.705 -4.324 -7.737 1.00 0.00 C ATOM 448 NH1 ARG A 26 -9.424 -3.202 -7.602 1.00 0.00 N ATOM 449 NH2 ARG A 26 -8.853 -5.086 -8.830 1.00 0.00 N ATOM 0 H ARG A 26 -3.781 -3.069 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.106 -2.866 -5.406 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.403 -2.883 -3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.218 -1.284 -4.326 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.977 -2.008 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.742 -3.249 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.282 -4.580 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.533 -3.446 -5.211 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.307 -5.545 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.312 -2.621 -6.771 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.084 -2.928 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.306 -5.940 -8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.513 -4.811 -9.558 1.00 0.00 H new ATOM 463 N VAL A 27 -3.664 -0.348 -5.204 1.00 0.00 N ATOM 464 CA VAL A 27 -3.067 0.971 -5.082 1.00 0.00 C ATOM 465 C VAL A 27 -4.157 2.035 -5.228 1.00 0.00 C ATOM 466 O VAL A 27 -4.869 2.065 -6.230 1.00 0.00 O ATOM 467 CB VAL A 27 -1.936 1.129 -6.099 1.00 0.00 C ATOM 468 CG1 VAL A 27 -0.925 2.181 -5.636 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.248 -0.211 -6.368 1.00 0.00 C ATOM 0 H VAL A 27 -3.965 -0.594 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.619 1.098 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.374 1.474 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.131 2.274 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.427 3.142 -5.520 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.496 1.878 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.448 -0.070 -7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.830 -0.598 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.975 -0.921 -6.762 1.00 0.00 H new ATOM 479 N PHE A 28 -4.252 2.882 -4.214 1.00 0.00 N ATOM 480 CA PHE A 28 -5.242 3.945 -4.218 1.00 0.00 C ATOM 481 C PHE A 28 -4.583 5.310 -4.007 1.00 0.00 C ATOM 482 O PHE A 28 -3.724 5.461 -3.139 1.00 0.00 O ATOM 483 CB PHE A 28 -6.199 3.669 -3.056 1.00 0.00 C ATOM 484 CG PHE A 28 -5.804 4.358 -1.748 1.00 0.00 C ATOM 485 CD1 PHE A 28 -4.955 3.741 -0.883 1.00 0.00 C ATOM 486 CD2 PHE A 28 -6.303 5.588 -1.450 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.590 4.381 0.331 1.00 0.00 C ATOM 488 CE2 PHE A 28 -5.937 6.228 -0.237 1.00 0.00 C ATOM 489 CZ PHE A 28 -5.088 5.611 0.628 1.00 0.00 C ATOM 0 H PHE A 28 -3.660 2.854 -3.384 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.761 3.966 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.200 3.994 -3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.249 2.593 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.559 2.765 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.978 6.078 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.917 3.891 1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.333 7.205 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.809 6.098 1.551 1.00 0.00 H new ATOM 499 N GLY A 29 -5.010 6.269 -4.815 1.00 0.00 N ATOM 500 CA GLY A 29 -4.472 7.616 -4.728 1.00 0.00 C ATOM 501 C GLY A 29 -3.837 8.039 -6.054 1.00 0.00 C ATOM 502 O GLY A 29 -4.175 7.502 -7.107 1.00 0.00 O ATOM 0 H GLY A 29 -5.723 6.140 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.267 8.313 -4.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.728 7.664 -3.933 1.00 0.00 H new ATOM 506 N SER A 30 -2.928 8.999 -5.958 1.00 0.00 N ATOM 507 CA SER A 30 -2.243 9.500 -7.137 1.00 0.00 C ATOM 508 C SER A 30 -1.227 8.469 -7.631 1.00 0.00 C ATOM 509 O SER A 30 -0.951 8.387 -8.827 1.00 0.00 O ATOM 510 CB SER A 30 -1.548 10.832 -6.845 1.00 0.00 C ATOM 511 OG SER A 30 -1.345 11.033 -5.449 1.00 0.00 O ATOM 0 H SER A 30 -2.651 9.442 -5.082 1.00 0.00 H new ATOM 0 HA SER A 30 -2.985 9.671 -7.917 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.587 10.860 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.148 11.649 -7.246 1.00 0.00 H new ATOM 0 HG SER A 30 -0.898 11.893 -5.304 1.00 0.00 H new ATOM 517 N VAL A 31 -0.699 7.705 -6.685 1.00 0.00 N ATOM 518 CA VAL A 31 0.280 6.682 -7.009 1.00 0.00 C ATOM 519 C VAL A 31 -0.318 5.716 -8.034 1.00 0.00 C ATOM 520 O VAL A 31 0.308 5.416 -9.049 1.00 0.00 O ATOM 521 CB VAL A 31 0.749 5.983 -5.731 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.648 4.789 -6.058 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.460 6.966 -4.799 1.00 0.00 C ATOM 0 H VAL A 31 -0.931 7.775 -5.694 1.00 0.00 H new ATOM 0 HA VAL A 31 1.165 7.130 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.132 5.606 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.968 4.310 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.095 4.073 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.523 5.133 -6.610 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.783 6.444 -3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.328 7.386 -5.307 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.775 7.769 -4.527 1.00 0.00 H new ATOM 533 N ALA A 32 -1.524 5.256 -7.732 1.00 0.00 N ATOM 534 CA ALA A 32 -2.214 4.330 -8.614 1.00 0.00 C ATOM 535 C ALA A 32 -2.357 4.963 -9.999 1.00 0.00 C ATOM 536 O ALA A 32 -2.329 4.264 -11.011 1.00 0.00 O ATOM 537 CB ALA A 32 -3.564 3.952 -8.002 1.00 0.00 C ATOM 0 H ALA A 32 -2.040 5.507 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.641 3.410 -8.730 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.082 3.257 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.405 3.480 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.169 4.849 -7.873 1.00 0.00 H new ATOM 543 N ARG A 33 -2.508 6.279 -10.000 1.00 0.00 N ATOM 544 CA ARG A 33 -2.657 7.015 -11.245 1.00 0.00 C ATOM 545 C ARG A 33 -1.293 7.217 -11.907 1.00 0.00 C ATOM 546 O ARG A 33 -1.215 7.649 -13.057 1.00 0.00 O ATOM 547 CB ARG A 33 -3.307 8.379 -11.005 1.00 0.00 C ATOM 548 CG ARG A 33 -4.723 8.421 -11.584 1.00 0.00 C ATOM 549 CD ARG A 33 -4.689 8.619 -13.101 1.00 0.00 C ATOM 550 NE ARG A 33 -5.060 10.011 -13.438 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.855 10.574 -14.636 1.00 0.00 C ATOM 552 NH1 ARG A 33 -4.279 9.868 -15.618 1.00 0.00 N ATOM 553 NH2 ARG A 33 -5.224 11.844 -14.852 1.00 0.00 N ATOM 0 H ARG A 33 -2.530 6.855 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.301 6.430 -11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.341 8.586 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.700 9.161 -11.462 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.245 7.494 -11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.286 9.231 -11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.692 8.397 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.377 7.924 -13.582 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.499 10.578 -12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.997 8.902 -15.453 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.123 10.297 -16.530 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.661 12.382 -14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.068 12.272 -15.764 1.00 0.00 H new ATOM 567 N GLY A 34 -0.251 6.896 -11.154 1.00 0.00 N ATOM 568 CA GLY A 34 1.106 7.038 -11.654 1.00 0.00 C ATOM 569 C GLY A 34 1.685 8.406 -11.288 1.00 0.00 C ATOM 570 O GLY A 34 2.504 8.954 -12.025 1.00 0.00 O ATOM 0 H GLY A 34 -0.319 6.538 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.735 6.250 -11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.113 6.914 -12.737 1.00 0.00 H new ATOM 574 N GLU A 35 1.237 8.918 -10.151 1.00 0.00 N ATOM 575 CA GLU A 35 1.701 10.212 -9.679 1.00 0.00 C ATOM 576 C GLU A 35 2.271 10.087 -8.265 1.00 0.00 C ATOM 577 O GLU A 35 1.601 9.588 -7.363 1.00 0.00 O ATOM 578 CB GLU A 35 0.576 11.248 -9.728 1.00 0.00 C ATOM 579 CG GLU A 35 0.349 11.744 -11.157 1.00 0.00 C ATOM 580 CD GLU A 35 0.918 13.151 -11.346 1.00 0.00 C ATOM 581 OE1 GLU A 35 0.398 14.069 -10.674 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.859 13.278 -12.159 1.00 0.00 O ATOM 0 H GLU A 35 0.558 8.460 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 35 2.496 10.556 -10.341 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.344 10.810 -9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.824 12.090 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.820 11.060 -11.862 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.718 11.746 -11.380 1.00 0.00 H new ATOM 589 N ALA A 36 3.504 10.550 -8.116 1.00 0.00 N ATOM 590 CA ALA A 36 4.172 10.497 -6.827 1.00 0.00 C ATOM 591 C ALA A 36 5.647 10.865 -7.006 1.00 0.00 C ATOM 592 O ALA A 36 6.473 10.004 -7.302 1.00 0.00 O ATOM 593 CB ALA A 36 3.988 9.108 -6.213 1.00 0.00 C ATOM 0 H ALA A 36 4.057 10.963 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 36 3.733 11.219 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.489 9.068 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.925 8.907 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.418 8.357 -6.876 1.00 0.00 H new ATOM 599 N ARG A 37 5.931 12.145 -6.819 1.00 0.00 N ATOM 600 CA ARG A 37 7.291 12.638 -6.957 1.00 0.00 C ATOM 601 C ARG A 37 8.200 11.983 -5.915 1.00 0.00 C ATOM 602 O ARG A 37 7.768 11.101 -5.175 1.00 0.00 O ATOM 603 CB ARG A 37 7.347 14.157 -6.789 1.00 0.00 C ATOM 604 CG ARG A 37 6.487 14.610 -5.607 1.00 0.00 C ATOM 605 CD ARG A 37 5.127 15.126 -6.084 1.00 0.00 C ATOM 606 NE ARG A 37 4.955 16.541 -5.686 1.00 0.00 N ATOM 607 CZ ARG A 37 3.841 17.253 -5.906 1.00 0.00 C ATOM 608 NH1 ARG A 37 2.795 16.687 -6.523 1.00 0.00 N ATOM 609 NH2 ARG A 37 3.774 18.531 -5.510 1.00 0.00 N ATOM 0 H ARG A 37 5.242 12.856 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 37 7.636 12.382 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.379 14.472 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.000 14.641 -7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.343 13.778 -4.918 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.005 15.395 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.053 15.033 -7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.328 14.520 -5.657 1.00 0.00 H new ATOM 0 HE ARG A 37 5.733 17.003 -5.215 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.846 15.714 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.947 17.229 -6.690 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.571 18.962 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.926 19.073 -5.677 1.00 0.00 H new ATOM 623 N GLU A 38 9.444 12.440 -5.890 1.00 0.00 N ATOM 624 CA GLU A 38 10.418 11.910 -4.951 1.00 0.00 C ATOM 625 C GLU A 38 10.237 12.557 -3.577 1.00 0.00 C ATOM 626 O GLU A 38 10.986 12.266 -2.646 1.00 0.00 O ATOM 627 CB GLU A 38 11.843 12.111 -5.468 1.00 0.00 C ATOM 628 CG GLU A 38 11.979 11.615 -6.909 1.00 0.00 C ATOM 629 CD GLU A 38 12.987 12.462 -7.688 1.00 0.00 C ATOM 630 OE1 GLU A 38 12.607 13.592 -8.064 1.00 0.00 O ATOM 631 OE2 GLU A 38 14.114 11.960 -7.891 1.00 0.00 O ATOM 0 H GLU A 38 9.799 13.172 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 38 10.251 10.838 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.106 13.167 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.545 11.576 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.297 10.572 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.008 11.652 -7.403 1.00 0.00 H new ATOM 638 N ASP A 39 9.237 13.423 -3.492 1.00 0.00 N ATOM 639 CA ASP A 39 8.949 14.114 -2.247 1.00 0.00 C ATOM 640 C ASP A 39 7.532 13.761 -1.790 1.00 0.00 C ATOM 641 O ASP A 39 7.087 14.208 -0.733 1.00 0.00 O ATOM 642 CB ASP A 39 9.023 15.631 -2.429 1.00 0.00 C ATOM 643 CG ASP A 39 9.451 16.412 -1.185 1.00 0.00 C ATOM 644 OD1 ASP A 39 10.626 16.251 -0.791 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.593 17.151 -0.656 1.00 0.00 O ATOM 0 H ASP A 39 8.616 13.662 -4.266 1.00 0.00 H new ATOM 0 HA ASP A 39 9.689 13.803 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.722 15.851 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.045 15.992 -2.747 1.00 0.00 H new ATOM 650 N SER A 40 6.862 12.963 -2.608 1.00 0.00 N ATOM 651 CA SER A 40 5.504 12.546 -2.301 1.00 0.00 C ATOM 652 C SER A 40 5.527 11.244 -1.498 1.00 0.00 C ATOM 653 O SER A 40 6.576 10.620 -1.348 1.00 0.00 O ATOM 654 CB SER A 40 4.681 12.367 -3.578 1.00 0.00 C ATOM 655 OG SER A 40 3.366 11.891 -3.303 1.00 0.00 O ATOM 0 H SER A 40 7.234 12.594 -3.483 1.00 0.00 H new ATOM 0 HA SER A 40 5.033 13.327 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.619 13.319 -4.106 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.189 11.667 -4.241 1.00 0.00 H new ATOM 0 HG SER A 40 2.872 11.791 -4.143 1.00 0.00 H new ATOM 661 N ASP A 41 4.356 10.873 -1.001 1.00 0.00 N ATOM 662 CA ASP A 41 4.228 9.656 -0.216 1.00 0.00 C ATOM 663 C ASP A 41 3.572 8.570 -1.071 1.00 0.00 C ATOM 664 O ASP A 41 3.132 8.835 -2.188 1.00 0.00 O ATOM 665 CB ASP A 41 3.348 9.885 1.014 1.00 0.00 C ATOM 666 CG ASP A 41 2.529 11.177 0.993 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.663 11.285 0.098 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.788 12.028 1.872 1.00 0.00 O ATOM 0 H ASP A 41 3.488 11.393 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 41 5.225 9.355 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.665 9.042 1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.983 9.890 1.900 1.00 0.00 H new ATOM 673 N LEU A 42 3.528 7.369 -0.513 1.00 0.00 N ATOM 674 CA LEU A 42 2.934 6.241 -1.210 1.00 0.00 C ATOM 675 C LEU A 42 1.693 5.773 -0.448 1.00 0.00 C ATOM 676 O LEU A 42 1.795 5.307 0.686 1.00 0.00 O ATOM 677 CB LEU A 42 3.973 5.139 -1.429 1.00 0.00 C ATOM 678 CG LEU A 42 3.462 3.859 -2.094 1.00 0.00 C ATOM 679 CD1 LEU A 42 2.907 2.884 -1.054 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.438 4.179 -3.185 1.00 0.00 C ATOM 0 H LEU A 42 3.894 7.153 0.414 1.00 0.00 H new ATOM 0 HA LEU A 42 2.604 6.539 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.781 5.544 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.404 4.876 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 42 4.305 3.366 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.551 1.983 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.693 2.620 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.081 3.353 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.091 3.252 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.591 4.706 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.901 4.807 -3.946 1.00 0.00 H new ATOM 692 N ASP A 43 0.549 5.913 -1.101 1.00 0.00 N ATOM 693 CA ASP A 43 -0.711 5.510 -0.500 1.00 0.00 C ATOM 694 C ASP A 43 -1.096 4.121 -1.013 1.00 0.00 C ATOM 695 O ASP A 43 -1.317 3.937 -2.209 1.00 0.00 O ATOM 696 CB ASP A 43 -1.834 6.479 -0.872 1.00 0.00 C ATOM 697 CG ASP A 43 -1.654 7.908 -0.354 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.772 8.603 -0.901 1.00 0.00 O ATOM 699 OD2 ASP A 43 -2.403 8.272 0.578 1.00 0.00 O ATOM 0 H ASP A 43 0.468 6.300 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.581 5.507 0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.921 6.511 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.775 6.085 -0.488 1.00 0.00 H new ATOM 704 N LEU A 44 -1.164 3.179 -0.084 1.00 0.00 N ATOM 705 CA LEU A 44 -1.518 1.813 -0.428 1.00 0.00 C ATOM 706 C LEU A 44 -2.638 1.332 0.497 1.00 0.00 C ATOM 707 O LEU A 44 -2.509 1.394 1.718 1.00 0.00 O ATOM 708 CB LEU A 44 -0.278 0.917 -0.408 1.00 0.00 C ATOM 709 CG LEU A 44 -0.139 -0.062 -1.576 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.386 0.647 -2.826 1.00 0.00 C ATOM 711 CD2 LEU A 44 0.732 -1.259 -1.188 1.00 0.00 C ATOM 0 H LEU A 44 -0.980 3.335 0.907 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.902 1.765 -1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.606 1.554 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.282 0.346 0.520 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.129 -0.449 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.476 -0.071 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.307 1.438 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.364 1.080 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.814 -1.939 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.725 -0.910 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.278 -1.782 -0.346 1.00 0.00 H new ATOM 723 N LEU A 45 -3.713 0.865 -0.121 1.00 0.00 N ATOM 724 CA LEU A 45 -4.855 0.374 0.631 1.00 0.00 C ATOM 725 C LEU A 45 -4.813 -1.155 0.674 1.00 0.00 C ATOM 726 O LEU A 45 -4.995 -1.813 -0.349 1.00 0.00 O ATOM 727 CB LEU A 45 -6.156 0.938 0.057 1.00 0.00 C ATOM 728 CG LEU A 45 -7.449 0.409 0.681 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.975 -0.802 -0.091 1.00 0.00 C ATOM 730 CD2 LEU A 45 -7.254 0.100 2.167 1.00 0.00 C ATOM 0 H LEU A 45 -3.817 0.816 -1.135 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.811 0.723 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.139 2.022 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.179 0.728 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.206 1.190 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.895 -1.158 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.177 -0.516 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.229 -1.596 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.188 -0.274 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.476 -0.655 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.959 1.009 2.692 1.00 0.00 H new ATOM 742 N VAL A 46 -4.573 -1.675 1.869 1.00 0.00 N ATOM 743 CA VAL A 46 -4.506 -3.114 2.059 1.00 0.00 C ATOM 744 C VAL A 46 -5.398 -3.511 3.236 1.00 0.00 C ATOM 745 O VAL A 46 -5.728 -2.678 4.078 1.00 0.00 O ATOM 746 CB VAL A 46 -3.050 -3.550 2.238 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.358 -3.722 0.884 1.00 0.00 C ATOM 748 CG2 VAL A 46 -2.287 -2.562 3.122 1.00 0.00 C ATOM 0 H VAL A 46 -4.423 -1.126 2.715 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.881 -3.634 1.178 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.050 -4.518 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.325 -4.032 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.881 -4.481 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.375 -2.775 0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.255 -2.895 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.302 -1.575 2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.760 -2.511 4.103 1.00 0.00 H new ATOM 758 N ALA A 47 -5.764 -4.784 3.257 1.00 0.00 N ATOM 759 CA ALA A 47 -6.612 -5.302 4.317 1.00 0.00 C ATOM 760 C ALA A 47 -5.853 -6.383 5.089 1.00 0.00 C ATOM 761 O ALA A 47 -5.363 -7.345 4.499 1.00 0.00 O ATOM 762 CB ALA A 47 -7.919 -5.824 3.716 1.00 0.00 C ATOM 0 H ALA A 47 -5.489 -5.472 2.557 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.870 -4.512 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.555 -6.213 4.511 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.434 -5.011 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.700 -6.620 3.005 1.00 0.00 H new ATOM 768 N PHE A 48 -5.779 -6.189 6.398 1.00 0.00 N ATOM 769 CA PHE A 48 -5.088 -7.136 7.257 1.00 0.00 C ATOM 770 C PHE A 48 -6.055 -8.188 7.803 1.00 0.00 C ATOM 771 O PHE A 48 -6.996 -7.857 8.523 1.00 0.00 O ATOM 772 CB PHE A 48 -4.508 -6.337 8.426 1.00 0.00 C ATOM 773 CG PHE A 48 -3.220 -5.584 8.087 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.276 -4.428 7.374 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.019 -6.072 8.500 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.080 -3.729 7.060 1.00 0.00 C ATOM 777 CE2 PHE A 48 -0.823 -5.373 8.185 1.00 0.00 C ATOM 778 CZ PHE A 48 -0.879 -4.216 7.472 1.00 0.00 C ATOM 0 H PHE A 48 -6.186 -5.390 6.884 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.312 -7.654 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.255 -5.622 8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.312 -7.017 9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.230 -4.041 7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.975 -6.990 9.067 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.124 -2.810 6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.131 -5.760 8.512 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.030 -3.684 7.233 1.00 0.00 H new ATOM 788 N GLU A 49 -5.790 -9.434 7.439 1.00 0.00 N ATOM 789 CA GLU A 49 -6.625 -10.537 7.883 1.00 0.00 C ATOM 790 C GLU A 49 -6.935 -10.401 9.375 1.00 0.00 C ATOM 791 O GLU A 49 -6.352 -9.561 10.060 1.00 0.00 O ATOM 792 CB GLU A 49 -5.963 -11.883 7.582 1.00 0.00 C ATOM 793 CG GLU A 49 -5.759 -12.068 6.077 1.00 0.00 C ATOM 794 CD GLU A 49 -7.055 -12.517 5.399 1.00 0.00 C ATOM 795 OE1 GLU A 49 -8.078 -11.835 5.622 1.00 0.00 O ATOM 796 OE2 GLU A 49 -6.993 -13.533 4.673 1.00 0.00 O ATOM 0 H GLU A 49 -5.009 -9.704 6.842 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.564 -10.500 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.002 -11.942 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.581 -12.692 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.419 -11.132 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.977 -12.807 5.900 1.00 0.00 H new ATOM 803 N GLU A 50 -7.852 -11.238 9.836 1.00 0.00 N ATOM 804 CA GLU A 50 -8.246 -11.222 11.234 1.00 0.00 C ATOM 805 C GLU A 50 -7.208 -11.953 12.087 1.00 0.00 C ATOM 806 O GLU A 50 -7.066 -13.171 11.990 1.00 0.00 O ATOM 807 CB GLU A 50 -9.637 -11.833 11.420 1.00 0.00 C ATOM 808 CG GLU A 50 -10.594 -10.832 12.070 1.00 0.00 C ATOM 809 CD GLU A 50 -10.687 -11.063 13.579 1.00 0.00 C ATOM 810 OE1 GLU A 50 -10.564 -12.240 13.982 1.00 0.00 O ATOM 811 OE2 GLU A 50 -10.879 -10.058 14.297 1.00 0.00 O ATOM 0 H GLU A 50 -8.334 -11.933 9.265 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.294 -10.185 11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.033 -12.145 10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.565 -12.727 12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.251 -9.816 11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.583 -10.926 11.622 1.00 0.00 H new ATOM 818 N GLY A 51 -6.508 -11.179 12.904 1.00 0.00 N ATOM 819 CA GLY A 51 -5.486 -11.738 13.773 1.00 0.00 C ATOM 820 C GLY A 51 -4.188 -10.933 13.681 1.00 0.00 C ATOM 821 O GLY A 51 -3.282 -11.116 14.493 1.00 0.00 O ATOM 0 H GLY A 51 -6.629 -10.169 12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.843 -11.743 14.803 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.295 -12.775 13.496 1.00 0.00 H new ATOM 825 N ARG A 52 -4.140 -10.059 12.686 1.00 0.00 N ATOM 826 CA ARG A 52 -2.968 -9.226 12.479 1.00 0.00 C ATOM 827 C ARG A 52 -2.944 -8.081 13.494 1.00 0.00 C ATOM 828 O ARG A 52 -3.971 -7.459 13.758 1.00 0.00 O ATOM 829 CB ARG A 52 -2.950 -8.644 11.064 1.00 0.00 C ATOM 830 CG ARG A 52 -3.054 -9.752 10.014 1.00 0.00 C ATOM 831 CD ARG A 52 -1.710 -10.459 9.828 1.00 0.00 C ATOM 832 NE ARG A 52 -1.776 -11.828 10.387 1.00 0.00 N ATOM 833 CZ ARG A 52 -0.902 -12.801 10.099 1.00 0.00 C ATOM 834 NH1 ARG A 52 0.112 -12.562 9.255 1.00 0.00 N ATOM 835 NH2 ARG A 52 -1.041 -14.013 10.653 1.00 0.00 N ATOM 0 H ARG A 52 -4.894 -9.910 12.015 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.087 -9.854 12.614 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.778 -7.945 10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.031 -8.078 10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.811 -10.476 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.381 -9.328 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.456 -10.502 8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.921 -9.893 10.323 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.535 -12.044 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.217 -11.640 8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.778 -13.303 9.035 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.813 -14.195 11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.375 -14.754 10.433 1.00 0.00 H new ATOM 849 N THR A 53 -1.759 -7.839 14.036 1.00 0.00 N ATOM 850 CA THR A 53 -1.587 -6.780 15.016 1.00 0.00 C ATOM 851 C THR A 53 -0.863 -5.586 14.391 1.00 0.00 C ATOM 852 O THR A 53 -0.266 -5.708 13.322 1.00 0.00 O ATOM 853 CB THR A 53 -0.857 -7.369 16.224 1.00 0.00 C ATOM 854 OG1 THR A 53 0.305 -7.977 15.666 1.00 0.00 O ATOM 855 CG2 THR A 53 -1.619 -8.535 16.859 1.00 0.00 C ATOM 0 H THR A 53 -0.909 -8.358 13.815 1.00 0.00 H new ATOM 0 HA THR A 53 -2.549 -6.395 15.355 1.00 0.00 H new ATOM 0 HB THR A 53 -0.702 -6.589 16.969 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.838 -8.383 16.382 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.057 -8.916 17.712 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.597 -8.191 17.194 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.746 -9.330 16.124 1.00 0.00 H new ATOM 863 N LEU A 54 -0.940 -4.460 15.083 1.00 0.00 N ATOM 864 CA LEU A 54 -0.299 -3.245 14.609 1.00 0.00 C ATOM 865 C LEU A 54 1.198 -3.501 14.425 1.00 0.00 C ATOM 866 O LEU A 54 1.844 -2.860 13.598 1.00 0.00 O ATOM 867 CB LEU A 54 -0.612 -2.074 15.543 1.00 0.00 C ATOM 868 CG LEU A 54 -1.157 -0.810 14.876 1.00 0.00 C ATOM 869 CD1 LEU A 54 -0.219 -0.328 13.767 1.00 0.00 C ATOM 870 CD2 LEU A 54 -2.582 -1.031 14.365 1.00 0.00 C ATOM 0 H LEU A 54 -1.437 -4.363 15.969 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.696 -2.961 13.635 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.336 -2.411 16.285 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.298 -1.812 16.082 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.203 -0.020 15.626 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.629 0.572 13.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.761 -0.105 14.190 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.119 -1.107 13.011 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.946 -0.117 13.895 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.585 -1.840 13.635 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.231 -1.293 15.200 1.00 0.00 H new ATOM 882 N LEU A 55 1.706 -4.441 15.209 1.00 0.00 N ATOM 883 CA LEU A 55 3.114 -4.790 15.142 1.00 0.00 C ATOM 884 C LEU A 55 3.467 -5.201 13.711 1.00 0.00 C ATOM 885 O LEU A 55 4.508 -4.807 13.187 1.00 0.00 O ATOM 886 CB LEU A 55 3.452 -5.855 16.188 1.00 0.00 C ATOM 887 CG LEU A 55 4.531 -5.477 17.205 1.00 0.00 C ATOM 888 CD1 LEU A 55 5.831 -5.079 16.503 1.00 0.00 C ATOM 889 CD2 LEU A 55 4.033 -4.383 18.152 1.00 0.00 C ATOM 0 H LEU A 55 1.167 -4.971 15.894 1.00 0.00 H new ATOM 0 HA LEU A 55 3.732 -3.926 15.387 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.540 -6.105 16.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.771 -6.758 15.668 1.00 0.00 H new ATOM 0 HG LEU A 55 4.749 -6.355 17.813 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.581 -4.815 17.249 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.192 -5.916 15.905 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.647 -4.222 15.855 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.819 -4.133 18.865 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.769 -3.496 17.576 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.155 -4.740 18.691 1.00 0.00 H new ATOM 901 N ASP A 56 2.579 -5.986 13.119 1.00 0.00 N ATOM 902 CA ASP A 56 2.783 -6.454 11.759 1.00 0.00 C ATOM 903 C ASP A 56 2.625 -5.280 10.791 1.00 0.00 C ATOM 904 O ASP A 56 3.339 -5.193 9.793 1.00 0.00 O ATOM 905 CB ASP A 56 1.751 -7.519 11.382 1.00 0.00 C ATOM 906 CG ASP A 56 1.996 -8.900 11.993 1.00 0.00 C ATOM 907 OD1 ASP A 56 1.487 -9.124 13.112 1.00 0.00 O ATOM 908 OD2 ASP A 56 2.686 -9.702 11.326 1.00 0.00 O ATOM 0 H ASP A 56 1.716 -6.310 13.557 1.00 0.00 H new ATOM 0 HA ASP A 56 3.783 -6.883 11.697 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.764 -7.172 11.689 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.731 -7.617 10.297 1.00 0.00 H new ATOM 913 N HIS A 57 1.686 -4.405 11.120 1.00 0.00 N ATOM 914 CA HIS A 57 1.425 -3.240 10.292 1.00 0.00 C ATOM 915 C HIS A 57 2.695 -2.393 10.183 1.00 0.00 C ATOM 916 O HIS A 57 3.114 -2.036 9.084 1.00 0.00 O ATOM 917 CB HIS A 57 0.229 -2.449 10.828 1.00 0.00 C ATOM 918 CG HIS A 57 -1.094 -3.161 10.677 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.254 -2.512 10.289 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.430 -4.469 10.866 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.236 -3.400 10.250 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.724 -4.612 10.608 1.00 0.00 N ATOM 0 H HIS A 57 1.096 -4.480 11.949 1.00 0.00 H new ATOM 0 HA HIS A 57 1.154 -3.558 9.285 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.394 -2.230 11.883 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.177 -1.492 10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.757 -5.256 11.174 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.263 -3.199 9.982 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.249 -5.485 10.668 1.00 0.00 H new ATOM 930 N ALA A 58 3.271 -2.097 11.339 1.00 0.00 N ATOM 931 CA ALA A 58 4.484 -1.300 11.388 1.00 0.00 C ATOM 932 C ALA A 58 5.609 -2.045 10.667 1.00 0.00 C ATOM 933 O ALA A 58 6.387 -1.441 9.931 1.00 0.00 O ATOM 934 CB ALA A 58 4.832 -0.987 12.844 1.00 0.00 C ATOM 0 H ALA A 58 2.920 -2.395 12.249 1.00 0.00 H new ATOM 0 HA ALA A 58 4.338 -0.349 10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.742 -0.389 12.880 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.014 -0.431 13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.988 -1.918 13.389 1.00 0.00 H new ATOM 940 N ARG A 59 5.659 -3.348 10.903 1.00 0.00 N ATOM 941 CA ARG A 59 6.675 -4.183 10.285 1.00 0.00 C ATOM 942 C ARG A 59 6.467 -4.240 8.771 1.00 0.00 C ATOM 943 O ARG A 59 7.431 -4.231 8.007 1.00 0.00 O ATOM 944 CB ARG A 59 6.640 -5.603 10.852 1.00 0.00 C ATOM 945 CG ARG A 59 7.635 -5.759 12.004 1.00 0.00 C ATOM 946 CD ARG A 59 8.921 -6.440 11.530 1.00 0.00 C ATOM 947 NE ARG A 59 9.834 -6.650 12.675 1.00 0.00 N ATOM 948 CZ ARG A 59 10.948 -7.393 12.621 1.00 0.00 C ATOM 949 NH1 ARG A 59 11.293 -8.002 11.478 1.00 0.00 N ATOM 950 NH2 ARG A 59 11.717 -7.527 13.710 1.00 0.00 N ATOM 0 H ARG A 59 5.012 -3.846 11.514 1.00 0.00 H new ATOM 0 HA ARG A 59 7.647 -3.740 10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.634 -5.834 11.202 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.875 -6.319 10.064 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.870 -4.780 12.421 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.182 -6.345 12.803 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.685 -7.396 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.409 -5.827 10.773 1.00 0.00 H new ATOM 0 HE ARG A 59 9.601 -6.201 13.561 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.708 -7.900 10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.141 -8.567 11.437 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.454 -7.064 14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.565 -8.092 13.669 1.00 0.00 H new ATOM 964 N LEU A 60 5.201 -4.297 8.381 1.00 0.00 N ATOM 965 CA LEU A 60 4.854 -4.355 6.972 1.00 0.00 C ATOM 966 C LEU A 60 5.349 -3.086 6.276 1.00 0.00 C ATOM 967 O LEU A 60 6.033 -3.159 5.255 1.00 0.00 O ATOM 968 CB LEU A 60 3.354 -4.605 6.799 1.00 0.00 C ATOM 969 CG LEU A 60 2.831 -4.578 5.362 1.00 0.00 C ATOM 970 CD1 LEU A 60 3.774 -5.328 4.420 1.00 0.00 C ATOM 971 CD2 LEU A 60 1.401 -5.116 5.289 1.00 0.00 C ATOM 0 H LEU A 60 4.404 -4.304 9.017 1.00 0.00 H new ATOM 0 HA LEU A 60 5.352 -5.197 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.115 -5.576 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.812 -3.856 7.376 1.00 0.00 H new ATOM 0 HG LEU A 60 2.802 -3.540 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.378 -5.293 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.758 -4.860 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.859 -6.366 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.053 -5.086 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.380 -6.145 5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.749 -4.501 5.910 1.00 0.00 H new ATOM 983 N LYS A 61 4.986 -1.951 6.855 1.00 0.00 N ATOM 984 CA LYS A 61 5.385 -0.668 6.304 1.00 0.00 C ATOM 985 C LYS A 61 6.912 -0.607 6.218 1.00 0.00 C ATOM 986 O LYS A 61 7.464 -0.231 5.185 1.00 0.00 O ATOM 987 CB LYS A 61 4.768 0.477 7.110 1.00 0.00 C ATOM 988 CG LYS A 61 5.449 1.808 6.781 1.00 0.00 C ATOM 989 CD LYS A 61 6.828 1.895 7.438 1.00 0.00 C ATOM 990 CE LYS A 61 7.043 3.267 8.082 1.00 0.00 C ATOM 991 NZ LYS A 61 6.205 3.408 9.293 1.00 0.00 N ATOM 0 H LYS A 61 4.419 -1.894 7.701 1.00 0.00 H new ATOM 0 HA LYS A 61 5.003 -0.554 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.702 0.546 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.863 0.269 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.550 1.912 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.826 2.634 7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.925 1.115 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.602 1.714 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.094 3.392 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.796 4.053 7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.570 4.186 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.225 3.615 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.231 2.523 9.838 1.00 0.00 H new ATOM 1005 N LEU A 62 7.550 -0.981 7.317 1.00 0.00 N ATOM 1006 CA LEU A 62 9.001 -0.974 7.379 1.00 0.00 C ATOM 1007 C LEU A 62 9.555 -1.988 6.377 1.00 0.00 C ATOM 1008 O LEU A 62 10.667 -1.827 5.875 1.00 0.00 O ATOM 1009 CB LEU A 62 9.477 -1.205 8.815 1.00 0.00 C ATOM 1010 CG LEU A 62 10.000 -2.608 9.131 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.330 -2.870 8.422 1.00 0.00 C ATOM 1012 CD2 LEU A 62 10.102 -2.827 10.641 1.00 0.00 C ATOM 0 H LEU A 62 7.088 -1.291 8.172 1.00 0.00 H new ATOM 0 HA LEU A 62 9.390 0.003 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.267 -0.486 9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.650 -0.986 9.490 1.00 0.00 H new ATOM 0 HG LEU A 62 9.283 -3.334 8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.679 -3.874 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.191 -2.784 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.068 -2.139 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.476 -3.832 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.786 -2.094 11.070 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.117 -2.711 11.093 1.00 0.00 H new ATOM 1024 N ALA A 63 8.755 -3.012 6.115 1.00 0.00 N ATOM 1025 CA ALA A 63 9.152 -4.052 5.182 1.00 0.00 C ATOM 1026 C ALA A 63 9.073 -3.508 3.754 1.00 0.00 C ATOM 1027 O ALA A 63 9.955 -3.769 2.937 1.00 0.00 O ATOM 1028 CB ALA A 63 8.268 -5.284 5.385 1.00 0.00 C ATOM 0 H ALA A 63 7.834 -3.143 6.533 1.00 0.00 H new ATOM 0 HA ALA A 63 10.183 -4.356 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.566 -6.065 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.382 -5.649 6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.226 -5.017 5.209 1.00 0.00 H new ATOM 1034 N LEU A 64 8.009 -2.761 3.497 1.00 0.00 N ATOM 1035 CA LEU A 64 7.804 -2.177 2.182 1.00 0.00 C ATOM 1036 C LEU A 64 8.823 -1.057 1.962 1.00 0.00 C ATOM 1037 O LEU A 64 9.300 -0.858 0.846 1.00 0.00 O ATOM 1038 CB LEU A 64 6.351 -1.729 2.016 1.00 0.00 C ATOM 1039 CG LEU A 64 5.284 -2.767 2.371 1.00 0.00 C ATOM 1040 CD1 LEU A 64 3.990 -2.509 1.598 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.808 -4.188 2.155 1.00 0.00 C ATOM 0 H LEU A 64 7.280 -2.547 4.177 1.00 0.00 H new ATOM 0 HA LEU A 64 7.975 -2.920 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.191 -0.846 2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.202 -1.423 0.980 1.00 0.00 H new ATOM 0 HG LEU A 64 5.050 -2.668 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.248 -3.261 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.610 -1.518 1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.188 -2.564 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.030 -4.906 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.087 -4.318 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.681 -4.354 2.787 1.00 0.00 H new ATOM 1053 N GLU A 65 9.125 -0.354 3.044 1.00 0.00 N ATOM 1054 CA GLU A 65 10.078 0.741 2.983 1.00 0.00 C ATOM 1055 C GLU A 65 11.477 0.210 2.666 1.00 0.00 C ATOM 1056 O GLU A 65 12.305 0.929 2.108 1.00 0.00 O ATOM 1057 CB GLU A 65 10.077 1.542 4.287 1.00 0.00 C ATOM 1058 CG GLU A 65 8.910 2.530 4.323 1.00 0.00 C ATOM 1059 CD GLU A 65 9.150 3.623 5.367 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.135 3.480 6.122 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.342 4.576 5.387 1.00 0.00 O ATOM 0 H GLU A 65 8.726 -0.522 3.968 1.00 0.00 H new ATOM 0 HA GLU A 65 9.777 1.415 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.008 0.862 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.019 2.082 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.782 2.983 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.986 1.999 4.553 1.00 0.00 H new ATOM 1068 N GLY A 66 11.697 -1.043 3.035 1.00 0.00 N ATOM 1069 CA GLY A 66 12.982 -1.678 2.796 1.00 0.00 C ATOM 1070 C GLY A 66 13.184 -1.965 1.307 1.00 0.00 C ATOM 1071 O GLY A 66 14.213 -1.607 0.736 1.00 0.00 O ATOM 0 H GLY A 66 11.008 -1.636 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.783 -1.033 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.042 -2.608 3.361 1.00 0.00 H new ATOM 1075 N LEU A 67 12.186 -2.610 0.721 1.00 0.00 N ATOM 1076 CA LEU A 67 12.241 -2.950 -0.691 1.00 0.00 C ATOM 1077 C LEU A 67 12.223 -1.665 -1.521 1.00 0.00 C ATOM 1078 O LEU A 67 12.964 -1.541 -2.495 1.00 0.00 O ATOM 1079 CB LEU A 67 11.122 -3.930 -1.050 1.00 0.00 C ATOM 1080 CG LEU A 67 11.333 -5.379 -0.609 1.00 0.00 C ATOM 1081 CD1 LEU A 67 12.248 -5.452 0.615 1.00 0.00 C ATOM 1082 CD2 LEU A 67 9.994 -6.079 -0.366 1.00 0.00 C ATOM 0 H LEU A 67 11.335 -2.906 1.198 1.00 0.00 H new ATOM 0 HA LEU A 67 13.172 -3.467 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.194 -3.568 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.987 -3.916 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 67 11.833 -5.912 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.382 -6.493 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 67 13.217 -5.016 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.798 -4.898 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.173 -7.108 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.445 -5.553 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.409 -6.076 -1.286 1.00 0.00 H new ATOM 1094 N LEU A 68 11.369 -0.741 -1.105 1.00 0.00 N ATOM 1095 CA LEU A 68 11.245 0.530 -1.798 1.00 0.00 C ATOM 1096 C LEU A 68 12.364 1.467 -1.340 1.00 0.00 C ATOM 1097 O LEU A 68 12.632 2.481 -1.983 1.00 0.00 O ATOM 1098 CB LEU A 68 9.842 1.109 -1.609 1.00 0.00 C ATOM 1099 CG LEU A 68 8.701 0.334 -2.271 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.543 0.120 -1.294 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.245 1.022 -3.559 1.00 0.00 C ATOM 0 H LEU A 68 10.756 -0.847 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 68 11.365 0.391 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.638 1.174 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.836 2.128 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 68 9.074 -0.652 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.746 -0.433 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.895 -0.446 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.163 1.086 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.433 0.450 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.896 2.029 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.080 1.078 -4.257 1.00 0.00 H new ATOM 1113 N GLY A 69 12.987 1.095 -0.231 1.00 0.00 N ATOM 1114 CA GLY A 69 14.071 1.890 0.321 1.00 0.00 C ATOM 1115 C GLY A 69 13.678 3.366 0.411 1.00 0.00 C ATOM 1116 O GLY A 69 14.542 4.240 0.466 1.00 0.00 O ATOM 0 H GLY A 69 12.762 0.254 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.331 1.518 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.959 1.784 -0.303 1.00 0.00 H new ATOM 1120 N VAL A 70 12.374 3.598 0.424 1.00 0.00 N ATOM 1121 CA VAL A 70 11.855 4.953 0.507 1.00 0.00 C ATOM 1122 C VAL A 70 10.568 4.952 1.334 1.00 0.00 C ATOM 1123 O VAL A 70 9.845 3.958 1.363 1.00 0.00 O ATOM 1124 CB VAL A 70 11.662 5.526 -0.899 1.00 0.00 C ATOM 1125 CG1 VAL A 70 12.971 5.488 -1.691 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.548 4.788 -1.644 1.00 0.00 C ATOM 0 H VAL A 70 11.661 2.870 0.378 1.00 0.00 H new ATOM 0 HA VAL A 70 12.567 5.604 1.014 1.00 0.00 H new ATOM 0 HB VAL A 70 11.362 6.569 -0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.806 5.901 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.727 6.079 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.314 4.457 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.432 5.215 -2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.805 3.732 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.613 4.890 -1.094 1.00 0.00 H new ATOM 1136 N ARG A 71 10.322 6.078 1.987 1.00 0.00 N ATOM 1137 CA ARG A 71 9.135 6.220 2.812 1.00 0.00 C ATOM 1138 C ARG A 71 7.933 5.562 2.132 1.00 0.00 C ATOM 1139 O ARG A 71 7.641 5.844 0.971 1.00 0.00 O ATOM 1140 CB ARG A 71 8.819 7.694 3.074 1.00 0.00 C ATOM 1141 CG ARG A 71 10.015 8.407 3.708 1.00 0.00 C ATOM 1142 CD ARG A 71 9.575 9.683 4.428 1.00 0.00 C ATOM 1143 NE ARG A 71 9.636 10.835 3.500 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.387 12.102 3.857 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.059 12.388 5.125 1.00 0.00 N ATOM 1146 NH2 ARG A 71 9.466 13.083 2.948 1.00 0.00 N ATOM 0 H ARG A 71 10.925 6.901 1.961 1.00 0.00 H new ATOM 0 HA ARG A 71 9.333 5.727 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.553 8.185 2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.954 7.773 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.509 7.739 4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.746 8.654 2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.560 9.565 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.218 9.865 5.289 1.00 0.00 H new ATOM 0 HE ARG A 71 9.883 10.652 2.527 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.999 11.641 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.869 13.352 5.398 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.716 12.865 1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.276 14.047 3.221 1.00 0.00 H new ATOM 1160 N VAL A 72 7.269 4.696 2.884 1.00 0.00 N ATOM 1161 CA VAL A 72 6.105 3.995 2.368 1.00 0.00 C ATOM 1162 C VAL A 72 4.980 4.054 3.402 1.00 0.00 C ATOM 1163 O VAL A 72 5.202 3.788 4.582 1.00 0.00 O ATOM 1164 CB VAL A 72 6.486 2.565 1.978 1.00 0.00 C ATOM 1165 CG1 VAL A 72 5.239 1.707 1.758 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.385 2.555 0.741 1.00 0.00 C ATOM 0 H VAL A 72 7.515 4.464 3.846 1.00 0.00 H new ATOM 0 HA VAL A 72 5.738 4.478 1.462 1.00 0.00 H new ATOM 0 HB VAL A 72 7.050 2.131 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.537 0.696 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.653 1.674 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.637 2.139 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.641 1.527 0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.859 3.016 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.297 3.115 0.949 1.00 0.00 H new ATOM 1176 N ASP A 73 3.795 4.403 2.922 1.00 0.00 N ATOM 1177 CA ASP A 73 2.634 4.500 3.790 1.00 0.00 C ATOM 1178 C ASP A 73 1.626 3.414 3.410 1.00 0.00 C ATOM 1179 O ASP A 73 1.332 3.220 2.231 1.00 0.00 O ATOM 1180 CB ASP A 73 1.946 5.858 3.640 1.00 0.00 C ATOM 1181 CG ASP A 73 1.111 6.296 4.845 1.00 0.00 C ATOM 1182 OD1 ASP A 73 1.473 5.881 5.967 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.130 7.037 4.617 1.00 0.00 O ATOM 0 H ASP A 73 3.614 4.622 1.942 1.00 0.00 H new ATOM 0 HA ASP A 73 2.972 4.379 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.707 6.615 3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.301 5.827 2.762 1.00 0.00 H new ATOM 1188 N ILE A 74 1.124 2.734 4.430 1.00 0.00 N ATOM 1189 CA ILE A 74 0.155 1.672 4.217 1.00 0.00 C ATOM 1190 C ILE A 74 -1.138 2.011 4.961 1.00 0.00 C ATOM 1191 O ILE A 74 -1.100 2.568 6.057 1.00 0.00 O ATOM 1192 CB ILE A 74 0.751 0.317 4.605 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.029 0.033 3.814 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.281 -0.801 4.447 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.621 -1.325 4.196 1.00 0.00 C ATOM 0 H ILE A 74 1.370 2.898 5.406 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.097 1.592 3.159 1.00 0.00 H new ATOM 0 HB ILE A 74 1.027 0.354 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.811 0.051 2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.760 0.819 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.168 -1.753 4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.138 -0.599 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.610 -0.848 3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.529 -1.502 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.860 -1.332 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.897 -2.111 3.982 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.252 1.661 4.335 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.555 1.921 4.925 1.00 0.00 C ATOM 1209 C VAL A 75 -4.299 0.597 5.111 1.00 0.00 C ATOM 1210 O VAL A 75 -4.214 -0.291 4.265 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.326 2.925 4.066 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.813 2.928 4.428 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.728 4.328 4.192 1.00 0.00 C ATOM 0 H VAL A 75 -2.280 1.200 3.426 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.445 2.373 5.911 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.235 2.615 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.338 3.650 3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.230 1.934 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.932 3.202 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.295 5.022 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.774 4.651 5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.689 4.312 3.862 1.00 0.00 H new ATOM 1223 N SER A 76 -5.012 0.508 6.224 1.00 0.00 N ATOM 1224 CA SER A 76 -5.771 -0.692 6.532 1.00 0.00 C ATOM 1225 C SER A 76 -7.266 -0.432 6.333 1.00 0.00 C ATOM 1226 O SER A 76 -7.836 0.450 6.974 1.00 0.00 O ATOM 1227 CB SER A 76 -5.500 -1.164 7.962 1.00 0.00 C ATOM 1228 OG SER A 76 -6.028 -0.262 8.930 1.00 0.00 O ATOM 0 H SER A 76 -5.080 1.247 6.924 1.00 0.00 H new ATOM 0 HA SER A 76 -5.452 -1.482 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.940 -2.151 8.108 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.425 -1.269 8.112 1.00 0.00 H new ATOM 0 HG SER A 76 -5.836 -0.599 9.830 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.858 -1.215 5.444 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.275 -1.080 5.153 1.00 0.00 C ATOM 1236 C GLU A 77 -10.060 -0.834 6.443 1.00 0.00 C ATOM 1237 O GLU A 77 -11.008 -0.051 6.457 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.803 -2.313 4.416 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.884 -2.058 2.910 1.00 0.00 C ATOM 1240 CD GLU A 77 -10.674 -3.164 2.208 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.841 -4.230 2.839 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -11.094 -2.919 1.057 1.00 0.00 O ATOM 0 H GLU A 77 -7.382 -1.946 4.915 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.412 -0.220 4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.150 -3.164 4.610 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.790 -2.575 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.359 -1.094 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.879 -2.003 2.492 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.637 -1.519 7.496 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.288 -1.384 8.787 1.00 0.00 C ATOM 1251 C ARG A 78 -10.167 0.054 9.296 1.00 0.00 C ATOM 1252 O ARG A 78 -11.164 0.669 9.672 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.674 -2.335 9.816 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.685 -3.396 10.255 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.311 -3.979 11.620 1.00 0.00 C ATOM 1256 NE ARG A 78 -11.063 -3.285 12.689 1.00 0.00 N ATOM 1257 CZ ARG A 78 -10.668 -3.225 13.968 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -9.526 -3.816 14.345 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -11.414 -2.573 14.870 1.00 0.00 N ATOM 0 H ARG A 78 -8.851 -2.169 7.481 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.340 -1.639 8.655 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.795 -2.819 9.390 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.336 -1.768 10.684 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.681 -2.956 10.304 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.725 -4.194 9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.532 -5.046 11.642 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.240 -3.872 11.789 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.937 -2.823 12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.957 -4.312 13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.225 -3.770 15.319 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.283 -2.122 14.583 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.113 -2.528 15.844 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.938 0.548 9.291 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.674 1.902 9.747 1.00 0.00 C ATOM 1275 C GLY A 79 -9.322 2.930 8.818 1.00 0.00 C ATOM 1276 O GLY A 79 -9.518 4.082 9.201 1.00 0.00 O ATOM 0 H GLY A 79 -8.114 0.035 8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.057 2.030 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.598 2.072 9.789 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.636 2.476 7.613 1.00 0.00 N ATOM 1281 CA LEU A 80 -10.258 3.342 6.626 1.00 0.00 C ATOM 1282 C LEU A 80 -11.672 3.700 7.086 1.00 0.00 C ATOM 1283 O LEU A 80 -12.156 3.171 8.086 1.00 0.00 O ATOM 1284 CB LEU A 80 -10.207 2.697 5.239 1.00 0.00 C ATOM 1285 CG LEU A 80 -9.187 3.285 4.263 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -9.360 2.689 2.864 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.260 4.813 4.248 1.00 0.00 C ATOM 0 H LEU A 80 -9.471 1.520 7.298 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.705 4.277 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.993 1.635 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.197 2.772 4.788 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.189 3.014 4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.623 3.124 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.219 1.609 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.362 2.909 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.524 5.206 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.258 5.127 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.050 5.197 5.246 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.296 4.595 6.335 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.645 5.029 6.653 1.00 0.00 C ATOM 1301 C ALA A 81 -14.628 4.389 5.670 1.00 0.00 C ATOM 1302 O ALA A 81 -14.218 3.814 4.664 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.709 6.558 6.629 1.00 0.00 C ATOM 0 H ALA A 81 -11.892 5.032 5.507 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.925 4.707 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.721 6.884 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.015 6.963 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.437 6.918 5.637 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.940 4.515 6.005 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.984 3.956 5.164 1.00 0.00 C ATOM 1311 C PRO A 82 -17.188 4.804 3.907 1.00 0.00 C ATOM 1312 O PRO A 82 -17.294 4.270 2.804 1.00 0.00 O ATOM 1313 CB PRO A 82 -18.218 3.902 6.051 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.945 4.857 7.202 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.462 5.191 7.190 1.00 0.00 C ATOM 0 HA PRO A 82 -16.736 2.963 4.790 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -19.109 4.200 5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.393 2.890 6.416 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.541 5.763 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.226 4.401 8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.299 6.267 7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.969 4.839 8.096 1.00 0.00 H new ATOM 1323 N ARG A 83 -17.238 6.111 4.115 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.428 7.039 3.013 1.00 0.00 C ATOM 1325 C ARG A 83 -16.111 7.245 2.261 1.00 0.00 C ATOM 1326 O ARG A 83 -16.114 7.583 1.078 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.940 8.391 3.512 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.878 9.103 4.353 1.00 0.00 C ATOM 1329 CD ARG A 83 -17.526 9.966 5.438 1.00 0.00 C ATOM 1330 NE ARG A 83 -17.483 11.392 5.042 1.00 0.00 N ATOM 1331 CZ ARG A 83 -17.801 12.407 5.857 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -18.186 12.160 7.116 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -17.734 13.669 5.412 1.00 0.00 N ATOM 0 H ARG A 83 -17.150 6.550 5.031 1.00 0.00 H new ATOM 0 HA ARG A 83 -18.171 6.609 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -18.215 9.016 2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.842 8.246 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.220 8.366 4.814 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.257 9.727 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -18.559 9.654 5.594 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.004 9.827 6.385 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.193 11.616 4.090 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.237 11.199 7.454 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.428 12.933 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.441 13.857 4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -17.976 14.442 6.032 1.00 0.00 H new ATOM 1347 N LEU A 84 -15.017 7.033 2.978 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.697 7.192 2.393 1.00 0.00 C ATOM 1349 C LEU A 84 -13.315 5.910 1.650 1.00 0.00 C ATOM 1350 O LEU A 84 -12.813 5.965 0.529 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.684 7.608 3.462 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.962 8.936 4.169 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -11.787 9.338 5.062 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -13.316 10.031 3.160 1.00 0.00 C ATOM 0 H LEU A 84 -15.018 6.752 3.959 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.700 7.998 1.659 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.637 6.821 4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.699 7.665 2.998 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.828 8.803 4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.010 10.285 5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.623 8.568 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.889 9.447 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.509 10.964 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -12.485 10.171 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -14.206 9.739 2.603 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.568 4.787 2.305 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.258 3.493 1.721 1.00 0.00 C ATOM 1368 C ARG A 85 -13.871 3.381 0.323 1.00 0.00 C ATOM 1369 O ARG A 85 -13.185 3.026 -0.633 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.784 2.353 2.594 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.740 1.021 1.843 1.00 0.00 C ATOM 1372 CD ARG A 85 -14.043 -0.148 2.782 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.405 -1.348 1.995 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.012 -2.427 2.507 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -15.330 -2.463 3.808 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.302 -3.471 1.718 1.00 0.00 N ATOM 0 H ARG A 85 -13.984 4.746 3.235 1.00 0.00 H new ATOM 0 HA ARG A 85 -12.173 3.412 1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.187 2.282 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.808 2.568 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.464 1.035 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.756 0.885 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -13.174 -0.360 3.405 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.860 0.117 3.454 1.00 0.00 H new ATOM 0 HE ARG A 85 -14.178 -1.354 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.110 -1.669 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -15.792 -3.285 4.197 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.061 -3.444 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -15.764 -4.292 2.108 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.157 3.691 0.250 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.871 3.630 -1.014 1.00 0.00 C ATOM 1392 C GLU A 86 -15.152 4.471 -2.071 1.00 0.00 C ATOM 1393 O GLU A 86 -15.042 4.062 -3.226 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.323 4.083 -0.847 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.216 3.474 -1.930 1.00 0.00 C ATOM 1396 CD GLU A 86 -19.281 4.472 -2.387 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -18.882 5.495 -2.985 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -20.471 4.190 -2.129 1.00 0.00 O ATOM 0 H GLU A 86 -15.723 3.985 1.046 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.885 2.593 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.688 3.790 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.376 5.171 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.606 3.172 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.697 2.574 -1.547 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.681 5.631 -1.638 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.975 6.533 -2.532 1.00 0.00 C ATOM 1407 C GLN A 87 -12.590 5.975 -2.865 1.00 0.00 C ATOM 1408 O GLN A 87 -12.108 6.127 -3.986 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.871 7.934 -1.928 1.00 0.00 C ATOM 1410 CG GLN A 87 -13.375 8.944 -2.965 1.00 0.00 C ATOM 1411 CD GLN A 87 -13.559 10.378 -2.466 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -14.591 11.001 -2.654 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -12.503 10.866 -1.822 1.00 0.00 N ATOM 0 H GLN A 87 -14.774 5.967 -0.680 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.544 6.614 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.845 8.244 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.190 7.917 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.322 8.762 -3.180 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.919 8.808 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.670 10.291 -1.699 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -12.526 11.816 -1.451 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.988 5.340 -1.870 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.668 4.759 -2.042 1.00 0.00 C ATOM 1424 C VAL A 88 -10.734 3.661 -3.106 1.00 0.00 C ATOM 1425 O VAL A 88 -9.886 3.600 -3.994 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.137 4.257 -0.698 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.910 3.364 -0.891 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.822 5.427 0.237 1.00 0.00 C ATOM 0 H VAL A 88 -12.391 5.215 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.963 5.512 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.918 3.656 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.553 3.021 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.179 2.503 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.122 3.930 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.446 5.044 1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.067 6.066 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.728 6.006 0.413 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.750 2.819 -2.980 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.938 1.727 -3.919 1.00 0.00 C ATOM 1440 C LEU A 89 -12.004 2.288 -5.341 1.00 0.00 C ATOM 1441 O LEU A 89 -11.407 1.730 -6.260 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.159 0.891 -3.531 1.00 0.00 C ATOM 1443 CG LEU A 89 -13.129 0.268 -2.133 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.522 -0.204 -1.713 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -12.095 -0.857 -2.057 1.00 0.00 C ATOM 0 H LEU A 89 -12.451 2.872 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.089 1.045 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -14.045 1.521 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.273 0.090 -4.262 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.822 1.036 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.472 -0.642 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.206 0.645 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.882 -0.951 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.094 -1.283 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.347 -1.633 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.106 -0.458 -2.283 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.734 3.385 -5.477 1.00 0.00 N ATOM 1458 CA ARG A 90 -12.885 4.028 -6.771 1.00 0.00 C ATOM 1459 C ARG A 90 -11.513 4.323 -7.381 1.00 0.00 C ATOM 1460 O ARG A 90 -11.385 4.450 -8.598 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.673 5.334 -6.649 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.076 5.186 -7.240 1.00 0.00 C ATOM 1463 CD ARG A 90 -15.987 6.326 -6.782 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.937 6.679 -7.861 1.00 0.00 N ATOM 1465 CZ ARG A 90 -17.715 7.770 -7.849 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.661 8.621 -6.816 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -18.548 8.010 -8.872 1.00 0.00 N ATOM 0 H ARG A 90 -13.228 3.845 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.435 3.345 -7.418 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.745 5.623 -5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.140 6.134 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.017 5.178 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.503 4.230 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -16.534 6.028 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.388 7.196 -6.514 1.00 0.00 H new ATOM 0 HE ARG A 90 -17.004 6.053 -8.663 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.027 8.439 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.254 9.451 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.589 7.362 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.140 8.840 -8.863 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.522 4.422 -6.508 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.164 4.700 -6.945 1.00 0.00 C ATOM 1483 C GLU A 91 -8.318 3.427 -6.888 1.00 0.00 C ATOM 1484 O GLU A 91 -7.500 3.180 -7.774 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.535 5.815 -6.107 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.290 7.133 -6.292 1.00 0.00 C ATOM 1487 CD GLU A 91 -8.562 8.048 -7.278 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -7.516 8.600 -6.873 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -9.067 8.176 -8.414 1.00 0.00 O ATOM 0 H GLU A 91 -10.632 4.315 -5.500 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.199 5.044 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.543 5.532 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.492 5.946 -6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.298 6.931 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.392 7.636 -5.330 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.542 2.652 -5.837 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.810 1.410 -5.653 1.00 0.00 C ATOM 1498 C ALA A 92 -7.688 0.691 -6.998 1.00 0.00 C ATOM 1499 O ALA A 92 -8.687 0.472 -7.681 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.512 0.555 -4.596 1.00 0.00 C ATOM 0 H ALA A 92 -9.220 2.860 -5.104 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.801 1.609 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.963 -0.376 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.546 1.099 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.527 0.332 -4.924 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.456 0.342 -7.337 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.191 -0.348 -8.587 1.00 0.00 C ATOM 1508 C ILE A 93 -5.233 -1.513 -8.329 1.00 0.00 C ATOM 1509 O ILE A 93 -4.384 -1.438 -7.442 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.690 0.636 -9.647 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.292 1.152 -9.298 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.688 1.777 -9.851 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.222 0.439 -10.127 1.00 0.00 C ATOM 0 H ILE A 93 -5.630 0.524 -6.767 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.111 -0.773 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.610 0.105 -10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.241 2.226 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.098 0.997 -8.237 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.308 2.462 -10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.645 1.369 -10.177 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.824 2.314 -8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.238 0.824 -9.860 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.259 -0.632 -9.926 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.405 0.616 -11.187 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.407 -2.591 -9.140 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.568 -3.770 -9.008 1.00 0.00 C ATOM 1527 C PRO A 94 -3.173 -3.518 -9.583 1.00 0.00 C ATOM 1528 O PRO A 94 -3.032 -2.863 -10.615 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.321 -4.871 -9.736 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.318 -4.167 -10.642 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.402 -2.714 -10.201 1.00 0.00 C ATOM 0 HA PRO A 94 -4.391 -4.046 -7.969 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -4.639 -5.493 -10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.830 -5.528 -9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.001 -4.233 -11.683 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.296 -4.643 -10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.186 -2.036 -11.027 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.400 -2.467 -9.839 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.177 -4.051 -8.891 1.00 0.00 N ATOM 1540 CA LEU A 95 -0.798 -3.892 -9.320 1.00 0.00 C ATOM 1541 C LEU A 95 -0.355 -5.147 -10.074 1.00 0.00 C ATOM 1542 O LEU A 95 0.283 -5.054 -11.121 1.00 0.00 O ATOM 1543 CB LEU A 95 0.097 -3.542 -8.129 1.00 0.00 C ATOM 1544 CG LEU A 95 1.582 -3.872 -8.286 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.806 -5.385 -8.328 1.00 0.00 C ATOM 1546 CD2 LEU A 95 2.173 -3.172 -9.512 1.00 0.00 C ATOM 0 H LEU A 95 -2.298 -4.594 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.709 -3.055 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.002 -2.475 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.280 -4.065 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 95 2.110 -3.492 -7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.870 -5.592 -8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.445 -5.832 -7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.263 -5.810 -9.172 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.230 -3.424 -9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.646 -3.500 -10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.065 -2.093 -9.402 1.00 0.00 H new