USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 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 34 HIS : no HD1:sc= -0.099 X(o=-1.4,f=-1.4) USER MOD Set 1.2: A 37 MET CE :methyl 161:sc= -1.32 (180deg=-1.72) USER MOD Set 2.1: A 33 TYR OH : rot -82:sc= -1.11! USER MOD Set 2.2: A 70 HIS : no HD1:sc= -3.03! C(o=-4.1!,f=-12!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0731 X(o=-0.073,f=-0.33) USER MOD Single : A 12 LYS NZ :NH3+ -110:sc= -0.759 (180deg=-3.55!) USER MOD Single : A 19 ASN : amide:sc= -0.362 K(o=-0.36,f=-0.97) USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= -1.66 (180deg=-5.34!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 165:sc= 0 USER MOD Single : A 32 MET CE :methyl 134:sc= -2.46 (180deg=-5.76!) USER MOD Single : A 35 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.045) USER MOD Single : A 36 THR OG1 : rot -63:sc= 1.06 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.726 K(o=-0.73,f=-9.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.493 F(o=-1.5,f=-0.49) USER MOD Single : A 74 TYR OH : rot -34:sc= -1.86! USER MOD Single : A 76 GLN : amide:sc= -0.0508 X(o=-0.051,f=0) USER MOD Single : A 78 THR OG1 : rot -94:sc= 0.185 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -12.147 3.667 -0.087 1.00 0.00 N ATOM 79 CA VAL A 5 -10.960 3.095 -0.711 1.00 0.00 C ATOM 80 C VAL A 5 -10.634 1.727 -0.119 1.00 0.00 C ATOM 81 O VAL A 5 -10.077 0.864 -0.799 1.00 0.00 O ATOM 82 CB VAL A 5 -9.734 4.015 -0.551 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.568 3.500 -1.384 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.085 5.446 -0.938 1.00 0.00 C ATOM 0 HA VAL A 5 -11.185 2.988 -1.772 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.433 4.010 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.711 4.162 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.302 2.495 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.855 3.473 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.207 6.081 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.413 5.472 -1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.886 5.811 -0.295 1.00 0.00 H new ATOM 94 N ALA A 6 -10.985 1.536 1.149 1.00 0.00 N ATOM 95 CA ALA A 6 -10.729 0.271 1.830 1.00 0.00 C ATOM 96 C ALA A 6 -11.401 -0.889 1.107 1.00 0.00 C ATOM 97 O ALA A 6 -10.783 -1.924 0.861 1.00 0.00 O ATOM 98 CB ALA A 6 -11.205 0.343 3.273 1.00 0.00 C ATOM 0 H ALA A 6 -11.447 2.240 1.725 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.653 0.094 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.008 -0.607 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.673 1.140 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.275 0.548 3.293 1.00 0.00 H new ATOM 104 N ARG A 7 -12.670 -0.703 0.768 1.00 0.00 N ATOM 105 CA ARG A 7 -13.432 -1.732 0.070 1.00 0.00 C ATOM 106 C ARG A 7 -12.857 -1.975 -1.321 1.00 0.00 C ATOM 107 O ARG A 7 -12.544 -3.107 -1.690 1.00 0.00 O ATOM 108 CB ARG A 7 -14.905 -1.324 -0.031 1.00 0.00 C ATOM 109 CG ARG A 7 -15.837 -2.222 0.766 1.00 0.00 C ATOM 110 CD ARG A 7 -17.200 -1.575 0.963 1.00 0.00 C ATOM 111 NE ARG A 7 -17.808 -1.183 -0.305 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.984 -0.565 -0.403 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.679 -0.270 0.688 1.00 0.00 N ATOM 114 NH2 ARG A 7 -19.466 -0.243 -1.596 1.00 0.00 N ATOM 0 H ARG A 7 -13.194 0.150 0.965 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.361 -2.659 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.015 -0.298 0.319 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.207 -1.338 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.956 -3.174 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.392 -2.439 1.737 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.860 -2.270 1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.096 -0.698 1.602 1.00 0.00 H new ATOM 0 HE ARG A 7 -17.303 -1.395 -1.166 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.313 -0.516 1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.579 0.203 0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -18.936 -0.469 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -20.366 0.230 -1.671 1.00 0.00 H new ATOM 128 N GLU A 8 -12.718 -0.900 -2.085 1.00 0.00 N ATOM 129 CA GLU A 8 -12.176 -0.983 -3.434 1.00 0.00 C ATOM 130 C GLU A 8 -10.749 -1.519 -3.407 1.00 0.00 C ATOM 131 O GLU A 8 -10.305 -2.176 -4.348 1.00 0.00 O ATOM 132 CB GLU A 8 -12.213 0.390 -4.107 1.00 0.00 C ATOM 133 CG GLU A 8 -12.918 0.388 -5.454 1.00 0.00 C ATOM 134 CD GLU A 8 -11.998 0.766 -6.597 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.137 1.649 -6.400 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.136 0.178 -7.691 1.00 0.00 O ATOM 0 H GLU A 8 -12.974 0.043 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.793 -1.672 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.714 1.097 -3.445 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.192 0.747 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.334 -0.602 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.756 1.085 -5.422 1.00 0.00 H new ATOM 143 N PHE A 9 -10.034 -1.233 -2.322 1.00 0.00 N ATOM 144 CA PHE A 9 -8.657 -1.687 -2.168 1.00 0.00 C ATOM 145 C PHE A 9 -8.587 -3.211 -2.137 1.00 0.00 C ATOM 146 O PHE A 9 -7.848 -3.824 -2.906 1.00 0.00 O ATOM 147 CB PHE A 9 -8.054 -1.107 -0.887 1.00 0.00 C ATOM 148 CG PHE A 9 -6.652 -1.576 -0.609 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.693 -1.564 -1.607 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.298 -2.026 0.654 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.403 -1.994 -1.352 1.00 0.00 C ATOM 152 CE2 PHE A 9 -5.011 -2.457 0.914 1.00 0.00 C ATOM 153 CZ PHE A 9 -4.062 -2.441 -0.090 1.00 0.00 C ATOM 0 H PHE A 9 -10.387 -0.688 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.082 -1.336 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.056 -0.019 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.691 -1.374 -0.044 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.954 -1.215 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.036 -2.040 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.663 -1.980 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.747 -2.806 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.056 -2.777 0.111 1.00 0.00 H new ATOM 163 N ARG A 10 -9.361 -3.816 -1.244 1.00 0.00 N ATOM 164 CA ARG A 10 -9.382 -5.268 -1.116 1.00 0.00 C ATOM 165 C ARG A 10 -9.788 -5.929 -2.431 1.00 0.00 C ATOM 166 O ARG A 10 -9.201 -6.930 -2.843 1.00 0.00 O ATOM 167 CB ARG A 10 -10.345 -5.686 -0.003 1.00 0.00 C ATOM 168 CG ARG A 10 -9.825 -5.390 1.395 1.00 0.00 C ATOM 169 CD ARG A 10 -9.379 -6.656 2.106 1.00 0.00 C ATOM 170 NE ARG A 10 -10.378 -7.128 3.062 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.405 -8.364 3.557 1.00 0.00 C ATOM 172 NH1 ARG A 10 -9.492 -9.254 3.189 1.00 0.00 N ATOM 173 NH2 ARG A 10 -11.348 -8.710 4.422 1.00 0.00 N ATOM 0 H ARG A 10 -9.981 -3.325 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.375 -5.599 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.296 -5.172 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.545 -6.754 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.989 -4.693 1.333 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.605 -4.900 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.185 -7.436 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.440 -6.468 2.626 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.097 -6.472 3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.764 -8.993 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.518 -10.199 3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.052 -8.030 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.369 -9.656 4.802 1.00 0.00 H new ATOM 187 N HIS A 11 -10.800 -5.366 -3.083 1.00 0.00 N ATOM 188 CA HIS A 11 -11.291 -5.905 -4.346 1.00 0.00 C ATOM 189 C HIS A 11 -10.254 -5.748 -5.457 1.00 0.00 C ATOM 190 O HIS A 11 -9.903 -6.717 -6.132 1.00 0.00 O ATOM 191 CB HIS A 11 -12.595 -5.211 -4.747 1.00 0.00 C ATOM 192 CG HIS A 11 -13.722 -6.161 -5.009 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.549 -7.383 -5.622 1.00 0.00 N ATOM 194 CD2 HIS A 11 -15.044 -6.063 -4.735 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.716 -7.996 -5.714 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.640 -7.216 -5.184 1.00 0.00 N ATOM 0 H HIS A 11 -11.296 -4.536 -2.757 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.479 -6.969 -4.204 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.888 -4.521 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.419 -4.613 -5.641 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -15.538 -5.232 -4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.885 -8.970 -6.149 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.634 -7.434 -5.119 1.00 0.00 H new ATOM 205 N LYS A 12 -9.774 -4.523 -5.650 1.00 0.00 N ATOM 206 CA LYS A 12 -8.785 -4.246 -6.687 1.00 0.00 C ATOM 207 C LYS A 12 -7.518 -5.071 -6.483 1.00 0.00 C ATOM 208 O LYS A 12 -7.004 -5.675 -7.425 1.00 0.00 O ATOM 209 CB LYS A 12 -8.446 -2.751 -6.718 1.00 0.00 C ATOM 210 CG LYS A 12 -7.614 -2.282 -5.536 1.00 0.00 C ATOM 211 CD LYS A 12 -7.361 -0.784 -5.594 1.00 0.00 C ATOM 212 CE LYS A 12 -6.289 -0.441 -6.618 1.00 0.00 C ATOM 213 NZ LYS A 12 -4.951 -0.962 -6.224 1.00 0.00 N ATOM 0 H LYS A 12 -10.053 -3.708 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.220 -4.530 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.907 -2.530 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.373 -2.179 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.127 -2.530 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.662 -2.813 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.287 -0.267 -5.847 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.055 -0.427 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.568 -0.855 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.235 0.641 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.332 -0.168 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.053 -1.601 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.532 -1.482 -7.022 1.00 0.00 H new ATOM 227 N VAL A 13 -7.016 -5.097 -5.251 1.00 0.00 N ATOM 228 CA VAL A 13 -5.807 -5.854 -4.938 1.00 0.00 C ATOM 229 C VAL A 13 -5.961 -7.318 -5.340 1.00 0.00 C ATOM 230 O VAL A 13 -5.089 -7.887 -5.994 1.00 0.00 O ATOM 231 CB VAL A 13 -5.459 -5.770 -3.437 1.00 0.00 C ATOM 232 CG1 VAL A 13 -4.251 -6.637 -3.109 1.00 0.00 C ATOM 233 CG2 VAL A 13 -5.206 -4.326 -3.033 1.00 0.00 C ATOM 0 H VAL A 13 -7.425 -4.605 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.994 -5.407 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.309 -6.147 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.026 -6.560 -2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.469 -7.675 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.392 -6.297 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.962 -4.283 -1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.374 -3.926 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.100 -3.733 -3.224 1.00 0.00 H new ATOM 243 N ASP A 14 -7.077 -7.924 -4.947 1.00 0.00 N ATOM 244 CA ASP A 14 -7.342 -9.319 -5.274 1.00 0.00 C ATOM 245 C ASP A 14 -7.364 -9.526 -6.784 1.00 0.00 C ATOM 246 O ASP A 14 -6.825 -10.507 -7.296 1.00 0.00 O ATOM 247 CB ASP A 14 -8.673 -9.766 -4.665 1.00 0.00 C ATOM 248 CG ASP A 14 -8.752 -11.270 -4.489 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.836 -11.984 -5.510 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.731 -11.734 -3.330 1.00 0.00 O ATOM 0 H ASP A 14 -7.811 -7.471 -4.402 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.539 -9.924 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.807 -9.282 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.491 -9.434 -5.304 1.00 0.00 H new ATOM 255 N PHE A 15 -7.990 -8.591 -7.493 1.00 0.00 N ATOM 256 CA PHE A 15 -8.083 -8.663 -8.947 1.00 0.00 C ATOM 257 C PHE A 15 -6.717 -8.452 -9.591 1.00 0.00 C ATOM 258 O PHE A 15 -6.392 -9.078 -10.601 1.00 0.00 O ATOM 259 CB PHE A 15 -9.075 -7.620 -9.466 1.00 0.00 C ATOM 260 CG PHE A 15 -9.246 -7.643 -10.959 1.00 0.00 C ATOM 261 CD1 PHE A 15 -10.188 -8.469 -11.549 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.463 -6.836 -11.771 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.349 -8.491 -12.922 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.618 -6.855 -13.144 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.562 -7.682 -13.720 1.00 0.00 C ATOM 0 H PHE A 15 -8.441 -7.773 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.439 -9.657 -9.216 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.044 -7.786 -8.995 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.739 -6.629 -9.162 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.804 -9.104 -10.929 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.724 -6.186 -11.326 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.088 -9.139 -13.370 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.001 -6.223 -13.766 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.685 -7.697 -14.793 1.00 0.00 H new ATOM 275 N LEU A 16 -5.921 -7.563 -9.005 1.00 0.00 N ATOM 276 CA LEU A 16 -4.591 -7.267 -9.524 1.00 0.00 C ATOM 277 C LEU A 16 -3.588 -8.332 -9.100 1.00 0.00 C ATOM 278 O LEU A 16 -3.087 -9.095 -9.927 1.00 0.00 O ATOM 279 CB LEU A 16 -4.126 -5.892 -9.038 1.00 0.00 C ATOM 280 CG LEU A 16 -5.110 -4.747 -9.290 1.00 0.00 C ATOM 281 CD1 LEU A 16 -5.131 -3.791 -8.105 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.749 -4.006 -10.567 1.00 0.00 C ATOM 0 H LEU A 16 -6.175 -7.035 -8.170 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.648 -7.262 -10.612 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.927 -5.950 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.181 -5.652 -9.525 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.108 -5.170 -9.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.836 -2.983 -8.302 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.437 -4.330 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.135 -3.375 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.459 -3.195 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.743 -3.595 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.785 -4.696 -11.410 1.00 0.00 H new ATOM 294 N ILE A 17 -3.299 -8.377 -7.806 1.00 0.00 N ATOM 295 CA ILE A 17 -2.355 -9.345 -7.263 1.00 0.00 C ATOM 296 C ILE A 17 -2.957 -10.744 -7.232 1.00 0.00 C ATOM 297 O ILE A 17 -2.494 -11.647 -7.927 1.00 0.00 O ATOM 298 CB ILE A 17 -1.909 -8.958 -5.839 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.487 -7.488 -5.796 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.773 -9.858 -5.374 1.00 0.00 C ATOM 301 CD1 ILE A 17 -1.042 -7.026 -4.424 1.00 0.00 C ATOM 0 H ILE A 17 -3.707 -7.752 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.486 -9.342 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.751 -9.094 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.674 -7.331 -6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.321 -6.869 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.470 -9.571 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.109 -10.895 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.075 -9.753 -6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.758 -5.975 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.860 -7.151 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.187 -7.620 -4.100 1.00 0.00 H new ATOM 313 N GLU A 18 -3.993 -10.909 -6.418 1.00 0.00 N ATOM 314 CA GLU A 18 -4.674 -12.197 -6.280 1.00 0.00 C ATOM 315 C GLU A 18 -3.866 -13.175 -5.426 1.00 0.00 C ATOM 316 O GLU A 18 -4.279 -14.317 -5.224 1.00 0.00 O ATOM 317 CB GLU A 18 -4.945 -12.813 -7.658 1.00 0.00 C ATOM 318 CG GLU A 18 -6.128 -13.767 -7.676 1.00 0.00 C ATOM 319 CD GLU A 18 -6.217 -14.561 -8.963 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.160 -14.993 -9.468 1.00 0.00 O ATOM 321 OE2 GLU A 18 -7.345 -14.751 -9.466 1.00 0.00 O ATOM 0 H GLU A 18 -4.384 -10.165 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.622 -12.010 -5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.124 -12.012 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.054 -13.346 -7.990 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.048 -14.455 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.049 -13.200 -7.539 1.00 0.00 H new ATOM 328 N ASN A 19 -2.717 -12.726 -4.924 1.00 0.00 N ATOM 329 CA ASN A 19 -1.867 -13.571 -4.095 1.00 0.00 C ATOM 330 C ASN A 19 -2.071 -13.260 -2.616 1.00 0.00 C ATOM 331 O ASN A 19 -1.989 -12.104 -2.198 1.00 0.00 O ATOM 332 CB ASN A 19 -0.398 -13.378 -4.472 1.00 0.00 C ATOM 333 CG ASN A 19 -0.079 -13.919 -5.853 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.702 -14.872 -6.317 1.00 0.00 O ATOM 335 ND2 ASN A 19 0.897 -13.311 -6.516 1.00 0.00 N ATOM 0 H ASN A 19 -2.356 -11.784 -5.078 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.145 -14.610 -4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.153 -12.317 -4.435 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.232 -13.876 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.156 -13.631 -7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.388 -12.523 -6.092 1.00 0.00 H new ATOM 342 N ASP A 20 -2.336 -14.297 -1.828 1.00 0.00 N ATOM 343 CA ASP A 20 -2.551 -14.130 -0.395 1.00 0.00 C ATOM 344 C ASP A 20 -1.252 -13.755 0.310 1.00 0.00 C ATOM 345 O ASP A 20 -1.258 -12.998 1.281 1.00 0.00 O ATOM 346 CB ASP A 20 -3.119 -15.415 0.210 1.00 0.00 C ATOM 347 CG ASP A 20 -4.632 -15.473 0.130 1.00 0.00 C ATOM 348 OD1 ASP A 20 -5.295 -14.711 0.866 1.00 0.00 O ATOM 349 OD2 ASP A 20 -5.156 -16.277 -0.668 1.00 0.00 O ATOM 0 H ASP A 20 -2.407 -15.260 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.268 -13.321 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.697 -16.275 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.810 -15.490 1.253 1.00 0.00 H new ATOM 354 N ALA A 21 -0.141 -14.289 -0.185 1.00 0.00 N ATOM 355 CA ALA A 21 1.166 -14.009 0.398 1.00 0.00 C ATOM 356 C ALA A 21 1.554 -12.549 0.196 1.00 0.00 C ATOM 357 O ALA A 21 2.101 -11.911 1.095 1.00 0.00 O ATOM 358 CB ALA A 21 2.219 -14.927 -0.205 1.00 0.00 C ATOM 0 H ALA A 21 -0.119 -14.918 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 21 1.108 -14.197 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.190 -14.708 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.955 -15.965 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.268 -14.767 -1.282 1.00 0.00 H new ATOM 364 N GLU A 22 1.264 -12.028 -0.989 1.00 0.00 N ATOM 365 CA GLU A 22 1.579 -10.641 -1.312 1.00 0.00 C ATOM 366 C GLU A 22 0.787 -9.684 -0.428 1.00 0.00 C ATOM 367 O GLU A 22 1.293 -8.641 -0.016 1.00 0.00 O ATOM 368 CB GLU A 22 1.282 -10.358 -2.786 1.00 0.00 C ATOM 369 CG GLU A 22 1.997 -11.298 -3.742 1.00 0.00 C ATOM 370 CD GLU A 22 3.504 -11.135 -3.704 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.100 -11.384 -2.636 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.087 -10.758 -4.742 1.00 0.00 O ATOM 0 H GLU A 22 0.811 -12.544 -1.743 1.00 0.00 H new ATOM 0 HA GLU A 22 2.641 -10.483 -1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.207 -10.433 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.570 -9.332 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.740 -12.328 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.641 -11.118 -4.756 1.00 0.00 H new ATOM 379 N LYS A 23 -0.458 -10.048 -0.143 1.00 0.00 N ATOM 380 CA LYS A 23 -1.323 -9.224 0.693 1.00 0.00 C ATOM 381 C LYS A 23 -0.813 -9.191 2.129 1.00 0.00 C ATOM 382 O LYS A 23 -0.837 -8.149 2.785 1.00 0.00 O ATOM 383 CB LYS A 23 -2.758 -9.753 0.660 1.00 0.00 C ATOM 384 CG LYS A 23 -3.375 -9.743 -0.728 1.00 0.00 C ATOM 385 CD LYS A 23 -4.601 -10.640 -0.799 1.00 0.00 C ATOM 386 CE LYS A 23 -5.181 -10.684 -2.203 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.222 -9.638 -2.411 1.00 0.00 N ATOM 0 H LYS A 23 -0.891 -10.908 -0.479 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.311 -8.209 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.770 -10.772 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.374 -9.151 1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.652 -8.724 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.637 -10.075 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.334 -11.648 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.358 -10.278 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.380 -10.548 -2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.614 -11.668 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.137 -10.093 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.302 -9.053 -1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.955 -9.038 -3.217 1.00 0.00 H new ATOM 401 N ASP A 24 -0.346 -10.335 2.615 1.00 0.00 N ATOM 402 CA ASP A 24 0.176 -10.430 3.972 1.00 0.00 C ATOM 403 C ASP A 24 1.466 -9.627 4.102 1.00 0.00 C ATOM 404 O ASP A 24 1.770 -9.087 5.166 1.00 0.00 O ATOM 405 CB ASP A 24 0.427 -11.891 4.349 1.00 0.00 C ATOM 406 CG ASP A 24 -0.820 -12.571 4.879 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.659 -11.880 5.495 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.959 -13.797 4.678 1.00 0.00 O ATOM 0 H ASP A 24 -0.318 -11.209 2.090 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.566 -10.016 4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.790 -12.432 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.213 -11.940 5.103 1.00 0.00 H new ATOM 413 N TYR A 25 2.217 -9.554 3.009 1.00 0.00 N ATOM 414 CA TYR A 25 3.474 -8.815 2.992 1.00 0.00 C ATOM 415 C TYR A 25 3.218 -7.311 3.025 1.00 0.00 C ATOM 416 O TYR A 25 3.847 -6.581 3.791 1.00 0.00 O ATOM 417 CB TYR A 25 4.283 -9.181 1.746 1.00 0.00 C ATOM 418 CG TYR A 25 5.743 -9.454 2.027 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.129 -10.220 3.120 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.735 -8.948 1.197 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.463 -10.472 3.379 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.072 -9.197 1.451 1.00 0.00 C ATOM 423 CZ TYR A 25 8.429 -9.958 2.541 1.00 0.00 C ATOM 424 OH TYR A 25 9.759 -10.207 2.795 1.00 0.00 O ATOM 0 H TYR A 25 1.977 -9.998 2.123 1.00 0.00 H new ATOM 0 HA TYR A 25 4.044 -9.088 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.840 -10.063 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.207 -8.369 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.374 -10.625 3.778 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.459 -8.351 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.747 -11.068 4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.832 -8.796 0.797 1.00 0.00 H new ATOM 0 HH TYR A 25 10.310 -9.774 2.109 1.00 0.00 H new ATOM 434 N LEU A 26 2.290 -6.855 2.189 1.00 0.00 N ATOM 435 CA LEU A 26 1.951 -5.438 2.124 1.00 0.00 C ATOM 436 C LEU A 26 1.232 -4.991 3.393 1.00 0.00 C ATOM 437 O LEU A 26 1.351 -3.839 3.810 1.00 0.00 O ATOM 438 CB LEU A 26 1.079 -5.153 0.897 1.00 0.00 C ATOM 439 CG LEU A 26 -0.231 -5.940 0.827 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.265 -5.344 1.772 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.757 -5.965 -0.599 1.00 0.00 C ATOM 0 H LEU A 26 1.760 -7.446 1.548 1.00 0.00 H new ATOM 0 HA LEU A 26 2.879 -4.872 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.845 -4.089 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.661 -5.368 0.001 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.036 -6.966 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.190 -5.917 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.887 -5.378 2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.460 -4.309 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.689 -6.528 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.937 -4.945 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.022 -6.440 -1.250 1.00 0.00 H new ATOM 453 N TYR A 27 0.492 -5.908 4.006 1.00 0.00 N ATOM 454 CA TYR A 27 -0.239 -5.603 5.230 1.00 0.00 C ATOM 455 C TYR A 27 0.719 -5.461 6.407 1.00 0.00 C ATOM 456 O TYR A 27 0.531 -4.611 7.279 1.00 0.00 O ATOM 457 CB TYR A 27 -1.274 -6.693 5.523 1.00 0.00 C ATOM 458 CG TYR A 27 -2.697 -6.265 5.247 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.404 -5.499 6.164 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.337 -6.631 4.068 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.705 -5.107 5.916 1.00 0.00 C ATOM 462 CE2 TYR A 27 -4.637 -6.243 3.811 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.318 -5.482 4.739 1.00 0.00 C ATOM 464 OH TYR A 27 -6.614 -5.092 4.486 1.00 0.00 O ATOM 0 H TYR A 27 0.383 -6.867 3.676 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.759 -4.655 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.044 -7.572 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.189 -6.992 6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.928 -5.204 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.808 -7.229 3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.239 -4.510 6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.118 -6.534 2.889 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.816 -5.224 3.536 1.00 0.00 H new ATOM 474 N ASP A 28 1.751 -6.299 6.423 1.00 0.00 N ATOM 475 CA ASP A 28 2.744 -6.268 7.489 1.00 0.00 C ATOM 476 C ASP A 28 3.536 -4.966 7.447 1.00 0.00 C ATOM 477 O ASP A 28 3.731 -4.312 8.473 1.00 0.00 O ATOM 478 CB ASP A 28 3.694 -7.462 7.365 1.00 0.00 C ATOM 479 CG ASP A 28 3.283 -8.621 8.253 1.00 0.00 C ATOM 480 OD1 ASP A 28 3.426 -8.502 9.488 1.00 0.00 O ATOM 481 OD2 ASP A 28 2.819 -9.647 7.713 1.00 0.00 O ATOM 0 H ASP A 28 1.921 -7.008 5.709 1.00 0.00 H new ATOM 0 HA ASP A 28 2.223 -6.328 8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.722 -7.795 6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.704 -7.148 7.626 1.00 0.00 H new ATOM 486 N VAL A 29 3.989 -4.593 6.254 1.00 0.00 N ATOM 487 CA VAL A 29 4.756 -3.367 6.078 1.00 0.00 C ATOM 488 C VAL A 29 3.917 -2.142 6.428 1.00 0.00 C ATOM 489 O VAL A 29 4.415 -1.181 7.011 1.00 0.00 O ATOM 490 CB VAL A 29 5.272 -3.228 4.632 1.00 0.00 C ATOM 491 CG1 VAL A 29 6.205 -2.032 4.509 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.970 -4.505 4.187 1.00 0.00 C ATOM 0 H VAL A 29 3.838 -5.123 5.396 1.00 0.00 H new ATOM 0 HA VAL A 29 5.609 -3.426 6.754 1.00 0.00 H new ATOM 0 HB VAL A 29 4.417 -3.062 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.559 -1.951 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.669 -1.123 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.057 -2.165 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.327 -4.387 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.815 -4.706 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.268 -5.338 4.233 1.00 0.00 H new ATOM 502 N LEU A 30 2.637 -2.188 6.068 1.00 0.00 N ATOM 503 CA LEU A 30 1.726 -1.083 6.346 1.00 0.00 C ATOM 504 C LEU A 30 1.402 -1.009 7.835 1.00 0.00 C ATOM 505 O LEU A 30 1.319 0.078 8.408 1.00 0.00 O ATOM 506 CB LEU A 30 0.436 -1.243 5.538 1.00 0.00 C ATOM 507 CG LEU A 30 0.542 -0.850 4.063 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.600 -1.460 3.266 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.548 0.664 3.914 1.00 0.00 C ATOM 0 H LEU A 30 2.209 -2.977 5.584 1.00 0.00 H new ATOM 0 HA LEU A 30 2.217 -0.155 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.114 -2.283 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.343 -0.640 6.004 1.00 0.00 H new ATOM 0 HG LEU A 30 1.482 -1.238 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.509 -1.170 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.560 -2.546 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.551 -1.102 3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.624 0.925 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.375 1.074 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.400 1.079 4.453 1.00 0.00 H new ATOM 521 N ARG A 31 1.223 -2.171 8.456 1.00 0.00 N ATOM 522 CA ARG A 31 0.910 -2.239 9.879 1.00 0.00 C ATOM 523 C ARG A 31 1.989 -1.547 10.703 1.00 0.00 C ATOM 524 O ARG A 31 1.691 -0.755 11.597 1.00 0.00 O ATOM 525 CB ARG A 31 0.766 -3.694 10.323 1.00 0.00 C ATOM 526 CG ARG A 31 0.273 -3.848 11.754 1.00 0.00 C ATOM 527 CD ARG A 31 -1.161 -4.351 11.802 1.00 0.00 C ATOM 528 NE ARG A 31 -1.573 -4.702 13.157 1.00 0.00 N ATOM 529 CZ ARG A 31 -1.109 -5.756 13.824 1.00 0.00 C ATOM 530 NH1 ARG A 31 -0.217 -6.564 13.263 1.00 0.00 N ATOM 531 NH2 ARG A 31 -1.536 -6.004 15.054 1.00 0.00 N ATOM 0 H ARG A 31 1.289 -3.079 7.996 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.036 -1.723 10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.074 -4.203 9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.730 -4.192 10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.921 -4.542 12.290 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.340 -2.889 12.268 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.827 -3.584 11.408 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.261 -5.223 11.156 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.257 -4.104 13.620 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.116 -6.378 12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.136 -7.371 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.221 -5.387 15.490 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.180 -6.812 15.564 1.00 0.00 H new ATOM 545 N MET A 32 3.241 -1.852 10.393 1.00 0.00 N ATOM 546 CA MET A 32 4.371 -1.259 11.098 1.00 0.00 C ATOM 547 C MET A 32 4.582 0.186 10.661 1.00 0.00 C ATOM 548 O MET A 32 5.066 1.015 11.432 1.00 0.00 O ATOM 549 CB MET A 32 5.642 -2.073 10.845 1.00 0.00 C ATOM 550 CG MET A 32 5.924 -3.113 11.917 1.00 0.00 C ATOM 551 SD MET A 32 7.654 -3.614 11.962 1.00 0.00 S ATOM 552 CE MET A 32 8.380 -2.252 12.870 1.00 0.00 C ATOM 0 H MET A 32 3.501 -2.508 9.657 1.00 0.00 H new ATOM 0 HA MET A 32 4.150 -1.270 12.165 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.557 -2.572 9.880 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.491 -1.393 10.778 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.641 -2.712 12.890 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.301 -3.989 11.740 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.049 -2.642 13.637 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.943 -1.618 12.186 1.00 0.00 H new ATOM 0 HE3 MET A 32 7.590 -1.666 13.341 1.00 0.00 H new ATOM 562 N TYR A 33 4.214 0.482 9.419 1.00 0.00 N ATOM 563 CA TYR A 33 4.360 1.826 8.875 1.00 0.00 C ATOM 564 C TYR A 33 3.540 2.829 9.682 1.00 0.00 C ATOM 565 O TYR A 33 3.963 3.965 9.894 1.00 0.00 O ATOM 566 CB TYR A 33 3.925 1.852 7.407 1.00 0.00 C ATOM 567 CG TYR A 33 3.888 3.238 6.801 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.040 4.008 6.705 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.698 3.774 6.325 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.006 5.276 6.152 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.657 5.038 5.769 1.00 0.00 C ATOM 572 CZ TYR A 33 3.814 5.786 5.686 1.00 0.00 C ATOM 573 OH TYR A 33 3.776 7.045 5.135 1.00 0.00 O ATOM 0 H TYR A 33 3.811 -0.193 8.769 1.00 0.00 H new ATOM 0 HA TYR A 33 5.411 2.109 8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.606 1.230 6.826 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.935 1.404 7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.977 3.611 7.068 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.790 3.193 6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.910 5.863 6.086 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.724 5.439 5.401 1.00 0.00 H new ATOM 0 HH TYR A 33 3.723 7.713 5.850 1.00 0.00 H new ATOM 583 N HIS A 34 2.365 2.401 10.127 1.00 0.00 N ATOM 584 CA HIS A 34 1.484 3.263 10.908 1.00 0.00 C ATOM 585 C HIS A 34 2.096 3.582 12.269 1.00 0.00 C ATOM 586 O HIS A 34 2.119 4.737 12.694 1.00 0.00 O ATOM 587 CB HIS A 34 0.118 2.597 11.093 1.00 0.00 C ATOM 588 CG HIS A 34 -1.034 3.537 10.925 1.00 0.00 C ATOM 589 ND1 HIS A 34 -2.285 3.131 10.510 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.122 4.876 11.118 1.00 0.00 C ATOM 591 CE1 HIS A 34 -3.090 4.175 10.455 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.410 5.245 10.819 1.00 0.00 N ATOM 0 H HIS A 34 2.000 1.463 9.961 1.00 0.00 H new ATOM 0 HA HIS A 34 1.355 4.197 10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.020 1.783 10.375 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.071 2.152 12.087 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.327 5.530 11.446 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.129 4.157 10.162 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.781 6.194 10.870 1.00 0.00 H new ATOM 601 N GLN A 35 2.586 2.551 12.950 1.00 0.00 N ATOM 602 CA GLN A 35 3.194 2.724 14.266 1.00 0.00 C ATOM 603 C GLN A 35 4.580 3.348 14.152 1.00 0.00 C ATOM 604 O GLN A 35 4.884 4.342 14.813 1.00 0.00 O ATOM 605 CB GLN A 35 3.283 1.378 14.988 1.00 0.00 C ATOM 606 CG GLN A 35 2.219 1.191 16.058 1.00 0.00 C ATOM 607 CD GLN A 35 2.696 0.323 17.206 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.060 -0.674 17.552 1.00 0.00 O ATOM 609 NE2 GLN A 35 3.822 0.697 17.804 1.00 0.00 N ATOM 0 H GLN A 35 2.574 1.588 12.614 1.00 0.00 H new ATOM 0 HA GLN A 35 2.563 3.399 14.844 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.195 0.576 14.256 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.268 1.285 15.446 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.921 2.166 16.444 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.333 0.741 15.610 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.317 1.530 17.485 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.192 0.151 18.582 1.00 0.00 H new ATOM 618 N THR A 36 5.417 2.753 13.315 1.00 0.00 N ATOM 619 CA THR A 36 6.776 3.239 13.112 1.00 0.00 C ATOM 620 C THR A 36 6.779 4.603 12.427 1.00 0.00 C ATOM 621 O THR A 36 7.564 5.483 12.779 1.00 0.00 O ATOM 622 CB THR A 36 7.580 2.239 12.279 1.00 0.00 C ATOM 623 OG1 THR A 36 7.160 2.262 10.927 1.00 0.00 O ATOM 624 CG2 THR A 36 7.459 0.814 12.774 1.00 0.00 C ATOM 0 H THR A 36 5.179 1.929 12.763 1.00 0.00 H new ATOM 0 HA THR A 36 7.241 3.346 14.092 1.00 0.00 H new ATOM 0 HB THR A 36 8.620 2.552 12.375 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.224 1.979 10.870 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.053 0.157 12.139 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.822 0.753 13.800 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.414 0.504 12.740 1.00 0.00 H new ATOM 632 N MET A 37 5.897 4.771 11.446 1.00 0.00 N ATOM 633 CA MET A 37 5.802 6.028 10.711 1.00 0.00 C ATOM 634 C MET A 37 7.102 6.316 9.965 1.00 0.00 C ATOM 635 O MET A 37 7.830 7.252 10.296 1.00 0.00 O ATOM 636 CB MET A 37 5.472 7.178 11.668 1.00 0.00 C ATOM 637 CG MET A 37 4.055 7.708 11.512 1.00 0.00 C ATOM 638 SD MET A 37 3.053 7.478 12.995 1.00 0.00 S ATOM 639 CE MET A 37 1.414 7.359 12.283 1.00 0.00 C ATOM 0 H MET A 37 5.239 4.054 11.142 1.00 0.00 H new ATOM 0 HA MET A 37 4.999 5.939 9.979 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.614 6.839 12.694 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.177 7.993 11.501 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.094 8.769 11.267 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.574 7.205 10.673 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.739 6.890 12.999 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.049 8.357 12.041 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.455 6.758 11.375 1.00 0.00 H new ATOM 649 N ASP A 38 7.389 5.500 8.956 1.00 0.00 N ATOM 650 CA ASP A 38 8.601 5.663 8.159 1.00 0.00 C ATOM 651 C ASP A 38 8.303 5.482 6.674 1.00 0.00 C ATOM 652 O ASP A 38 8.229 4.360 6.178 1.00 0.00 O ATOM 653 CB ASP A 38 9.666 4.659 8.603 1.00 0.00 C ATOM 654 CG ASP A 38 10.514 5.183 9.745 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.120 6.263 9.589 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.572 4.510 10.797 1.00 0.00 O ATOM 0 H ASP A 38 6.799 4.719 8.670 1.00 0.00 H new ATOM 0 HA ASP A 38 8.977 6.674 8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.182 3.732 8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.310 4.418 7.757 1.00 0.00 H new ATOM 661 N VAL A 39 8.130 6.597 5.972 1.00 0.00 N ATOM 662 CA VAL A 39 7.839 6.564 4.544 1.00 0.00 C ATOM 663 C VAL A 39 9.005 5.977 3.758 1.00 0.00 C ATOM 664 O VAL A 39 8.810 5.326 2.731 1.00 0.00 O ATOM 665 CB VAL A 39 7.526 7.970 4.001 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.020 7.890 2.569 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.514 8.675 4.893 1.00 0.00 C ATOM 0 H VAL A 39 8.186 7.535 6.369 1.00 0.00 H new ATOM 0 HA VAL A 39 6.962 5.930 4.416 1.00 0.00 H new ATOM 0 HB VAL A 39 8.447 8.553 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.804 8.894 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.781 7.430 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.111 7.289 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.305 9.667 4.493 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.591 8.095 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.919 8.768 5.901 1.00 0.00 H new ATOM 677 N ALA A 40 10.220 6.209 4.246 1.00 0.00 N ATOM 678 CA ALA A 40 11.417 5.704 3.587 1.00 0.00 C ATOM 679 C ALA A 40 11.467 4.181 3.623 1.00 0.00 C ATOM 680 O ALA A 40 11.838 3.537 2.641 1.00 0.00 O ATOM 681 CB ALA A 40 12.662 6.289 4.238 1.00 0.00 C ATOM 0 H ALA A 40 10.400 6.744 5.096 1.00 0.00 H new ATOM 0 HA ALA A 40 11.383 6.014 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.550 5.904 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.640 7.376 4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.689 6.007 5.291 1.00 0.00 H new ATOM 687 N VAL A 41 11.092 3.608 4.763 1.00 0.00 N ATOM 688 CA VAL A 41 11.097 2.159 4.927 1.00 0.00 C ATOM 689 C VAL A 41 9.948 1.512 4.160 1.00 0.00 C ATOM 690 O VAL A 41 10.095 0.425 3.602 1.00 0.00 O ATOM 691 CB VAL A 41 10.998 1.761 6.412 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.158 0.257 6.575 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.037 2.508 7.236 1.00 0.00 C ATOM 0 H VAL A 41 10.781 4.125 5.586 1.00 0.00 H new ATOM 0 HA VAL A 41 12.044 1.800 4.525 1.00 0.00 H new ATOM 0 HB VAL A 41 10.010 2.039 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.085 -0.004 7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.372 -0.255 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.131 -0.049 6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.952 2.214 8.282 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.035 2.265 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.870 3.581 7.146 1.00 0.00 H new ATOM 703 N LEU A 42 8.804 2.185 4.141 1.00 0.00 N ATOM 704 CA LEU A 42 7.628 1.675 3.446 1.00 0.00 C ATOM 705 C LEU A 42 7.887 1.556 1.948 1.00 0.00 C ATOM 706 O LEU A 42 7.570 0.539 1.332 1.00 0.00 O ATOM 707 CB LEU A 42 6.424 2.584 3.696 1.00 0.00 C ATOM 708 CG LEU A 42 5.072 1.990 3.293 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.593 0.992 4.335 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.043 3.094 3.095 1.00 0.00 C ATOM 0 H LEU A 42 8.665 3.086 4.599 1.00 0.00 H new ATOM 0 HA LEU A 42 7.411 0.682 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.392 2.836 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.572 3.516 3.151 1.00 0.00 H new ATOM 0 HG LEU A 42 5.197 1.462 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.631 0.581 4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.320 0.185 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.485 1.494 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.088 2.654 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.922 3.650 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.381 3.770 2.309 1.00 0.00 H new ATOM 722 N VAL A 43 8.465 2.603 1.367 1.00 0.00 N ATOM 723 CA VAL A 43 8.767 2.614 -0.060 1.00 0.00 C ATOM 724 C VAL A 43 9.667 1.442 -0.439 1.00 0.00 C ATOM 725 O VAL A 43 9.489 0.823 -1.489 1.00 0.00 O ATOM 726 CB VAL A 43 9.446 3.930 -0.483 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.626 3.982 -1.993 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.642 5.128 0.006 1.00 0.00 C ATOM 0 H VAL A 43 8.733 3.454 1.862 1.00 0.00 H new ATOM 0 HA VAL A 43 7.816 2.523 -0.585 1.00 0.00 H new ATOM 0 HB VAL A 43 10.433 3.969 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.107 4.920 -2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.248 3.146 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.652 3.917 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.137 6.049 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.640 5.093 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.572 5.100 1.093 1.00 0.00 H new ATOM 738 N GLY A 44 10.633 1.144 0.423 1.00 0.00 N ATOM 739 CA GLY A 44 11.544 0.045 0.161 1.00 0.00 C ATOM 740 C GLY A 44 10.833 -1.292 0.104 1.00 0.00 C ATOM 741 O GLY A 44 10.975 -2.037 -0.865 1.00 0.00 O ATOM 0 H GLY A 44 10.801 1.643 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.059 0.220 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.307 0.015 0.939 1.00 0.00 H new ATOM 745 N ASP A 45 10.063 -1.594 1.144 1.00 0.00 N ATOM 746 CA ASP A 45 9.325 -2.850 1.210 1.00 0.00 C ATOM 747 C ASP A 45 8.305 -2.937 0.077 1.00 0.00 C ATOM 748 O ASP A 45 8.257 -3.928 -0.654 1.00 0.00 O ATOM 749 CB ASP A 45 8.615 -2.980 2.558 1.00 0.00 C ATOM 750 CG ASP A 45 9.587 -3.189 3.704 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.473 -2.332 3.896 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.459 -4.213 4.410 1.00 0.00 O ATOM 0 H ASP A 45 9.934 -0.986 1.953 1.00 0.00 H new ATOM 0 HA ASP A 45 10.037 -3.668 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.026 -2.082 2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.917 -3.817 2.519 1.00 0.00 H new ATOM 757 N LEU A 46 7.495 -1.893 -0.063 1.00 0.00 N ATOM 758 CA LEU A 46 6.476 -1.848 -1.107 1.00 0.00 C ATOM 759 C LEU A 46 7.102 -2.020 -2.489 1.00 0.00 C ATOM 760 O LEU A 46 6.466 -2.529 -3.409 1.00 0.00 O ATOM 761 CB LEU A 46 5.710 -0.526 -1.042 1.00 0.00 C ATOM 762 CG LEU A 46 4.462 -0.542 -0.157 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.038 0.876 0.192 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.329 -1.285 -0.848 1.00 0.00 C ATOM 0 H LEU A 46 7.524 -1.066 0.533 1.00 0.00 H new ATOM 0 HA LEU A 46 5.782 -2.672 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.384 0.249 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.416 -0.244 -2.053 1.00 0.00 H new ATOM 0 HG LEU A 46 4.702 -1.066 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.149 0.845 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.845 1.376 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.816 1.425 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.449 -1.287 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.089 -0.789 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.635 -2.312 -1.047 1.00 0.00 H new ATOM 776 N LYS A 47 8.351 -1.591 -2.627 1.00 0.00 N ATOM 777 CA LYS A 47 9.057 -1.699 -3.897 1.00 0.00 C ATOM 778 C LYS A 47 9.472 -3.142 -4.169 1.00 0.00 C ATOM 779 O LYS A 47 9.182 -3.692 -5.230 1.00 0.00 O ATOM 780 CB LYS A 47 10.290 -0.793 -3.899 1.00 0.00 C ATOM 781 CG LYS A 47 10.025 0.589 -4.474 1.00 0.00 C ATOM 782 CD LYS A 47 11.235 1.120 -5.229 1.00 0.00 C ATOM 783 CE LYS A 47 11.395 2.621 -5.041 1.00 0.00 C ATOM 784 NZ LYS A 47 11.611 3.321 -6.336 1.00 0.00 N ATOM 0 H LYS A 47 8.895 -1.166 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 47 8.379 -1.380 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.656 -0.689 -2.878 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.082 -1.272 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.166 0.547 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.767 1.276 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.134 0.611 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.131 0.894 -6.290 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.506 3.023 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.237 2.816 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.715 4.342 -6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.473 2.955 -6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.796 3.156 -6.960 1.00 0.00 H new ATOM 798 N LEU A 48 10.152 -3.750 -3.203 1.00 0.00 N ATOM 799 CA LEU A 48 10.611 -5.129 -3.338 1.00 0.00 C ATOM 800 C LEU A 48 9.460 -6.062 -3.706 1.00 0.00 C ATOM 801 O LEU A 48 9.646 -7.026 -4.451 1.00 0.00 O ATOM 802 CB LEU A 48 11.264 -5.602 -2.039 1.00 0.00 C ATOM 803 CG LEU A 48 12.386 -4.705 -1.512 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.366 -4.659 0.008 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.737 -5.192 -2.016 1.00 0.00 C ATOM 0 H LEU A 48 10.398 -3.309 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 48 11.346 -5.157 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.494 -5.683 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.664 -6.604 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 48 12.223 -3.694 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.171 -4.016 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.409 -4.263 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.503 -5.665 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.524 -4.543 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.908 -6.212 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.748 -5.170 -3.106 1.00 0.00 H new ATOM 817 N VAL A 49 8.275 -5.778 -3.178 1.00 0.00 N ATOM 818 CA VAL A 49 7.101 -6.602 -3.451 1.00 0.00 C ATOM 819 C VAL A 49 6.342 -6.103 -4.680 1.00 0.00 C ATOM 820 O VAL A 49 5.972 -6.886 -5.553 1.00 0.00 O ATOM 821 CB VAL A 49 6.159 -6.657 -2.225 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.179 -5.491 -2.206 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.417 -7.985 -2.182 1.00 0.00 C ATOM 0 H VAL A 49 8.101 -4.986 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 49 7.457 -7.611 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 49 6.779 -6.572 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.537 -5.569 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.731 -4.552 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.566 -5.516 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.759 -8.006 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.824 -8.100 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.136 -8.801 -2.113 1.00 0.00 H new ATOM 833 N ILE A 50 6.114 -4.795 -4.736 1.00 0.00 N ATOM 834 CA ILE A 50 5.396 -4.194 -5.859 1.00 0.00 C ATOM 835 C ILE A 50 6.356 -3.716 -6.948 1.00 0.00 C ATOM 836 O ILE A 50 6.022 -2.828 -7.734 1.00 0.00 O ATOM 837 CB ILE A 50 4.518 -3.006 -5.408 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.779 -3.343 -4.107 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.526 -2.636 -6.502 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.781 -2.285 -3.684 1.00 0.00 C ATOM 0 H ILE A 50 6.414 -4.132 -4.021 1.00 0.00 H new ATOM 0 HA ILE A 50 4.754 -4.976 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 50 5.166 -2.150 -5.222 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.258 -4.293 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.509 -3.481 -3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.914 -1.797 -6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.068 -2.355 -7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.884 -3.491 -6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.297 -2.591 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.298 -1.338 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.028 -2.163 -4.463 1.00 0.00 H new ATOM 852 N ASN A 51 7.548 -4.305 -6.995 1.00 0.00 N ATOM 853 CA ASN A 51 8.544 -3.934 -7.994 1.00 0.00 C ATOM 854 C ASN A 51 7.997 -4.126 -9.406 1.00 0.00 C ATOM 855 O ASN A 51 8.227 -3.301 -10.290 1.00 0.00 O ATOM 856 CB ASN A 51 9.818 -4.765 -7.814 1.00 0.00 C ATOM 857 CG ASN A 51 9.524 -6.239 -7.610 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.373 -6.668 -7.673 1.00 0.00 O ATOM 859 ND2 ASN A 51 10.568 -7.021 -7.362 1.00 0.00 N ATOM 0 H ASN A 51 7.847 -5.040 -6.354 1.00 0.00 H new ATOM 0 HA ASN A 51 8.783 -2.880 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.455 -4.642 -8.690 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.377 -4.387 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.432 -8.021 -7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.506 -6.622 -7.319 1.00 0.00 H new ATOM 866 N GLU A 52 7.270 -5.222 -9.607 1.00 0.00 N ATOM 867 CA GLU A 52 6.686 -5.531 -10.907 1.00 0.00 C ATOM 868 C GLU A 52 5.913 -4.333 -11.461 1.00 0.00 C ATOM 869 O GLU A 52 4.891 -3.931 -10.903 1.00 0.00 O ATOM 870 CB GLU A 52 5.759 -6.744 -10.794 1.00 0.00 C ATOM 871 CG GLU A 52 6.252 -7.959 -11.565 1.00 0.00 C ATOM 872 CD GLU A 52 5.161 -8.607 -12.394 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.246 -9.215 -11.799 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.221 -8.506 -13.636 1.00 0.00 O ATOM 0 H GLU A 52 7.071 -5.912 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 52 7.498 -5.763 -11.596 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.649 -7.011 -9.743 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.769 -6.470 -11.158 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.072 -7.661 -12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.653 -8.691 -10.864 1.00 0.00 H new ATOM 881 N PRO A 53 6.398 -3.742 -12.567 1.00 0.00 N ATOM 882 CA PRO A 53 5.757 -2.585 -13.199 1.00 0.00 C ATOM 883 C PRO A 53 4.235 -2.710 -13.251 1.00 0.00 C ATOM 884 O PRO A 53 3.520 -1.710 -13.199 1.00 0.00 O ATOM 885 CB PRO A 53 6.344 -2.600 -14.608 1.00 0.00 C ATOM 886 CG PRO A 53 7.706 -3.182 -14.439 1.00 0.00 C ATOM 887 CD PRO A 53 7.615 -4.156 -13.290 1.00 0.00 C ATOM 0 HA PRO A 53 5.940 -1.662 -12.648 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.737 -3.201 -15.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.391 -1.596 -15.029 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.029 -3.686 -15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.438 -2.402 -14.230 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.539 -5.184 -13.643 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.496 -4.103 -12.651 1.00 0.00 H new ATOM 895 N SER A 54 3.749 -3.943 -13.353 1.00 0.00 N ATOM 896 CA SER A 54 2.313 -4.195 -13.409 1.00 0.00 C ATOM 897 C SER A 54 1.643 -3.853 -12.080 1.00 0.00 C ATOM 898 O SER A 54 0.532 -3.325 -12.050 1.00 0.00 O ATOM 899 CB SER A 54 2.044 -5.658 -13.766 1.00 0.00 C ATOM 900 OG SER A 54 2.902 -6.095 -14.806 1.00 0.00 O ATOM 0 H SER A 54 4.327 -4.782 -13.399 1.00 0.00 H new ATOM 0 HA SER A 54 1.890 -3.554 -14.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.188 -6.283 -12.885 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.005 -5.775 -14.074 1.00 0.00 H new ATOM 0 HG SER A 54 2.712 -7.033 -15.015 1.00 0.00 H new ATOM 906 N ARG A 55 2.329 -4.161 -10.983 1.00 0.00 N ATOM 907 CA ARG A 55 1.803 -3.892 -9.647 1.00 0.00 C ATOM 908 C ARG A 55 1.929 -2.411 -9.284 1.00 0.00 C ATOM 909 O ARG A 55 1.441 -1.980 -8.239 1.00 0.00 O ATOM 910 CB ARG A 55 2.540 -4.742 -8.611 1.00 0.00 C ATOM 911 CG ARG A 55 2.361 -6.238 -8.807 1.00 0.00 C ATOM 912 CD ARG A 55 3.494 -7.019 -8.159 1.00 0.00 C ATOM 913 NE ARG A 55 3.617 -8.368 -8.709 1.00 0.00 N ATOM 914 CZ ARG A 55 3.264 -9.477 -8.059 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.752 -9.412 -6.835 1.00 0.00 N ATOM 916 NH2 ARG A 55 3.422 -10.658 -8.639 1.00 0.00 N ATOM 0 H ARG A 55 3.251 -4.597 -10.992 1.00 0.00 H new ATOM 0 HA ARG A 55 0.745 -4.153 -9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.603 -4.504 -8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.189 -4.471 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.409 -6.552 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.322 -6.465 -9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.432 -6.483 -8.303 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.323 -7.080 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 55 3.997 -8.467 -9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.625 -8.507 -6.383 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.486 -10.267 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.813 -10.716 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.153 -11.509 -8.145 1.00 0.00 H new ATOM 930 N LEU A 56 2.585 -1.634 -10.144 1.00 0.00 N ATOM 931 CA LEU A 56 2.771 -0.206 -9.901 1.00 0.00 C ATOM 932 C LEU A 56 1.445 0.488 -9.582 1.00 0.00 C ATOM 933 O LEU A 56 1.300 1.097 -8.523 1.00 0.00 O ATOM 934 CB LEU A 56 3.430 0.459 -11.112 1.00 0.00 C ATOM 935 CG LEU A 56 4.941 0.247 -11.222 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.454 0.751 -12.562 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.662 0.943 -10.078 1.00 0.00 C ATOM 0 H LEU A 56 2.996 -1.970 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 56 3.423 -0.102 -9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.958 0.079 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.230 1.530 -11.073 1.00 0.00 H new ATOM 0 HG LEU A 56 5.144 -0.822 -11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.531 0.592 -12.623 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.961 0.207 -13.368 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.238 1.815 -12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.736 0.781 -10.173 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.452 2.012 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.316 0.535 -9.128 1.00 0.00 H new ATOM 949 N PRO A 57 0.456 0.410 -10.494 1.00 0.00 N ATOM 950 CA PRO A 57 -0.853 1.037 -10.299 1.00 0.00 C ATOM 951 C PRO A 57 -1.419 0.787 -8.904 1.00 0.00 C ATOM 952 O PRO A 57 -2.205 1.586 -8.392 1.00 0.00 O ATOM 953 CB PRO A 57 -1.744 0.381 -11.369 1.00 0.00 C ATOM 954 CG PRO A 57 -0.905 -0.677 -12.016 1.00 0.00 C ATOM 955 CD PRO A 57 0.525 -0.285 -11.785 1.00 0.00 C ATOM 0 HA PRO A 57 -0.793 2.122 -10.390 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.638 -0.051 -10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.078 1.116 -12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.114 -1.656 -11.584 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.121 -0.746 -13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.183 -1.153 -11.744 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.901 0.364 -12.576 1.00 0.00 H new ATOM 963 N LEU A 58 -1.019 -0.324 -8.293 1.00 0.00 N ATOM 964 CA LEU A 58 -1.489 -0.671 -6.956 1.00 0.00 C ATOM 965 C LEU A 58 -1.173 0.440 -5.958 1.00 0.00 C ATOM 966 O LEU A 58 -1.916 0.655 -5.000 1.00 0.00 O ATOM 967 CB LEU A 58 -0.851 -1.983 -6.492 1.00 0.00 C ATOM 968 CG LEU A 58 -1.596 -2.701 -5.366 1.00 0.00 C ATOM 969 CD1 LEU A 58 -2.612 -3.677 -5.935 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.614 -3.422 -4.453 1.00 0.00 C ATOM 0 H LEU A 58 -0.372 -0.998 -8.701 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.571 -0.795 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.778 -2.656 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.167 -1.777 -6.161 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.130 -1.956 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.132 -4.178 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.334 -3.136 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.100 -4.418 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.161 -3.928 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.052 -4.156 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.075 -2.699 -4.017 1.00 0.00 H new ATOM 982 N PHE A 59 -0.067 1.142 -6.190 1.00 0.00 N ATOM 983 CA PHE A 59 0.351 2.234 -5.314 1.00 0.00 C ATOM 984 C PHE A 59 -0.785 3.228 -5.091 1.00 0.00 C ATOM 985 O PHE A 59 -0.874 3.863 -4.038 1.00 0.00 O ATOM 986 CB PHE A 59 1.561 2.956 -5.912 1.00 0.00 C ATOM 987 CG PHE A 59 2.881 2.362 -5.512 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.319 1.173 -6.074 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.684 2.994 -4.578 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.536 0.626 -5.709 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.901 2.452 -4.210 1.00 0.00 C ATOM 992 CZ PHE A 59 5.327 1.267 -4.776 1.00 0.00 C ATOM 0 H PHE A 59 0.557 0.974 -6.979 1.00 0.00 H new ATOM 0 HA PHE A 59 0.625 1.805 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.481 2.940 -6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.536 4.002 -5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.704 0.668 -6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.356 3.921 -4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.867 -0.301 -6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.518 2.955 -3.480 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.278 0.842 -4.489 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.652 3.359 -6.091 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.783 4.278 -6.009 1.00 0.00 C ATOM 1004 C ASP A 60 -3.611 4.019 -4.756 1.00 0.00 C ATOM 1005 O ASP A 60 -3.930 4.944 -4.013 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.664 4.148 -7.253 1.00 0.00 C ATOM 1007 CG ASP A 60 -4.091 5.494 -7.803 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -3.341 6.477 -7.618 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -5.175 5.569 -8.418 1.00 0.00 O ATOM 0 H ASP A 60 -1.593 2.841 -6.967 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.388 5.293 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.122 3.600 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.549 3.561 -7.008 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.949 2.758 -4.533 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.739 2.365 -3.368 1.00 0.00 C ATOM 1016 C ALA A 61 -3.923 2.463 -2.081 1.00 0.00 C ATOM 1017 O ALA A 61 -4.485 2.564 -0.991 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.272 0.952 -3.551 1.00 0.00 C ATOM 0 H ALA A 61 -3.689 1.984 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.578 3.055 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.859 0.669 -2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.902 0.913 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.437 0.261 -3.667 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.600 2.432 -2.211 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.721 2.518 -1.049 1.00 0.00 C ATOM 1026 C ILE A 62 -1.735 3.921 -0.448 1.00 0.00 C ATOM 1027 O ILE A 62 -1.642 4.086 0.768 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.270 2.141 -1.409 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.241 0.842 -2.217 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.571 2.005 -0.146 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.917 -0.320 -1.519 1.00 0.00 C ATOM 0 H ILE A 62 -2.115 2.348 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.101 1.807 -0.315 1.00 0.00 H new ATOM 0 HB ILE A 62 0.154 2.936 -2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.727 1.010 -3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.795 0.577 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.593 1.739 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.574 2.952 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.149 1.227 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.858 -1.207 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.417 -0.515 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.963 -0.075 -1.334 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.850 4.930 -1.308 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.874 6.320 -0.857 1.00 0.00 C ATOM 1045 C ARG A 63 -3.009 6.556 0.141 1.00 0.00 C ATOM 1046 O ARG A 63 -2.772 6.975 1.274 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.023 7.263 -2.052 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.707 7.871 -2.513 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.376 7.481 -3.946 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.450 8.623 -4.855 1.00 0.00 N ATOM 1051 CZ ARG A 63 -0.395 8.521 -6.181 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.265 7.330 -6.756 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -0.469 9.609 -6.934 1.00 0.00 N ATOM 0 H ARG A 63 -1.928 4.812 -2.318 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.929 6.527 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.472 6.717 -2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.712 8.065 -1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.761 8.957 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.096 7.544 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.626 7.052 -3.983 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.067 6.707 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.550 9.553 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.207 6.490 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.223 7.256 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.568 10.526 -6.498 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.427 9.530 -7.950 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.263 6.288 -0.271 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.443 6.468 0.579 1.00 0.00 C ATOM 1069 C PRO A 64 -5.207 6.042 2.027 1.00 0.00 C ATOM 1070 O PRO A 64 -5.515 6.784 2.959 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.468 5.555 -0.088 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.125 5.612 -1.536 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.630 5.789 -1.610 1.00 0.00 C ATOM 0 HA PRO A 64 -5.744 7.513 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.403 4.537 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.486 5.900 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.434 4.699 -2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.639 6.439 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.128 4.849 -1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.350 6.497 -2.390 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.648 4.850 2.207 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.360 4.337 3.541 1.00 0.00 C ATOM 1083 C LEU A 65 -3.285 5.184 4.197 1.00 0.00 C ATOM 1084 O LEU A 65 -3.330 5.464 5.396 1.00 0.00 O ATOM 1085 CB LEU A 65 -3.908 2.876 3.468 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.899 1.925 2.793 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.332 1.399 1.483 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.253 0.771 3.721 1.00 0.00 C ATOM 0 H LEU A 65 -4.386 4.222 1.447 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.270 4.387 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.961 2.831 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.717 2.519 4.480 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.810 2.483 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.052 0.725 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.132 2.234 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.405 0.861 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.959 0.106 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.349 0.217 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.705 1.162 4.632 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.319 5.590 3.388 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.214 6.410 3.847 1.00 0.00 C ATOM 1102 C ILE A 66 -1.709 7.799 4.267 1.00 0.00 C ATOM 1103 O ILE A 66 -2.556 8.392 3.599 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.147 6.534 2.734 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.849 5.378 2.826 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.578 7.866 2.804 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.363 4.916 1.480 1.00 0.00 C ATOM 0 H ILE A 66 -2.281 5.359 2.395 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.764 5.930 4.716 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.658 6.486 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.694 5.685 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.373 4.538 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.320 7.919 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.140 8.678 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.075 7.960 3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.065 4.094 1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.527 4.578 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.868 5.743 0.980 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.184 8.337 5.385 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.581 9.658 5.890 1.00 0.00 C ATOM 1121 C PRO A 67 -1.473 10.749 4.829 1.00 0.00 C ATOM 1122 O PRO A 67 -0.733 10.612 3.852 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.594 9.920 7.028 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.165 8.567 7.476 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.170 7.700 6.247 1.00 0.00 C ATOM 0 HA PRO A 67 -2.625 9.672 6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.255 10.512 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.064 10.475 7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.828 8.602 7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.843 8.174 8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.808 7.677 5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.433 6.669 6.483 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.220 11.834 5.028 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.217 12.958 4.086 1.00 0.00 C ATOM 1135 C LEU A 68 -0.793 13.411 3.777 1.00 0.00 C ATOM 1136 O LEU A 68 -0.270 13.146 2.695 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.030 14.152 4.622 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.913 13.879 5.843 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.085 13.916 7.121 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.044 14.892 5.911 1.00 0.00 C ATOM 0 H LEU A 68 -2.835 11.961 5.832 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.687 12.602 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.335 14.953 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.665 14.523 3.817 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.344 12.883 5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.729 13.720 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.306 13.156 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.627 14.899 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.664 14.687 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.628 15.897 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.652 14.820 5.009 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.167 14.094 4.733 1.00 0.00 N ATOM 1153 CA LYS A 69 1.199 14.583 4.557 1.00 0.00 C ATOM 1154 C LYS A 69 2.104 13.470 4.039 1.00 0.00 C ATOM 1155 O LYS A 69 3.023 13.712 3.254 1.00 0.00 O ATOM 1156 CB LYS A 69 1.749 15.126 5.878 1.00 0.00 C ATOM 1157 CG LYS A 69 0.831 16.128 6.560 1.00 0.00 C ATOM 1158 CD LYS A 69 0.464 17.274 5.630 1.00 0.00 C ATOM 1159 CE LYS A 69 -0.190 18.418 6.387 1.00 0.00 C ATOM 1160 NZ LYS A 69 -0.135 19.693 5.623 1.00 0.00 N ATOM 0 H LYS A 69 -0.583 14.321 5.636 1.00 0.00 H new ATOM 0 HA LYS A 69 1.178 15.390 3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.928 14.292 6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.713 15.599 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.076 15.624 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.320 16.523 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.360 17.635 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.214 16.913 4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.229 18.166 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.308 18.549 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.592 20.448 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.857 19.947 5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.632 19.577 4.717 1.00 0.00 H new ATOM 1174 N HIS A 70 1.829 12.249 4.480 1.00 0.00 N ATOM 1175 CA HIS A 70 2.608 11.095 4.062 1.00 0.00 C ATOM 1176 C HIS A 70 2.418 10.830 2.573 1.00 0.00 C ATOM 1177 O HIS A 70 3.362 10.469 1.870 1.00 0.00 O ATOM 1178 CB HIS A 70 2.209 9.862 4.875 1.00 0.00 C ATOM 1179 CG HIS A 70 2.616 9.943 6.314 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.010 8.844 7.048 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.687 11.001 7.157 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.305 9.222 8.280 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.118 10.526 8.372 1.00 0.00 N ATOM 0 H HIS A 70 1.071 12.034 5.128 1.00 0.00 H new ATOM 0 HA HIS A 70 3.662 11.308 4.243 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.128 9.732 4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.661 8.978 4.426 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.449 12.027 6.918 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.642 8.574 9.076 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.269 11.089 9.209 1.00 0.00 H new ATOM 1192 N GLN A 71 1.192 11.024 2.094 1.00 0.00 N ATOM 1193 CA GLN A 71 0.884 10.815 0.682 1.00 0.00 C ATOM 1194 C GLN A 71 1.721 11.744 -0.186 1.00 0.00 C ATOM 1195 O GLN A 71 2.279 11.331 -1.203 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.605 11.058 0.416 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.497 9.899 0.827 1.00 0.00 C ATOM 1198 CD GLN A 71 -2.914 10.041 0.306 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -3.047 10.239 -1.001 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 -3.878 9.974 1.068 1.00 0.00 N flip ATOM 0 H GLN A 71 0.399 11.324 2.660 1.00 0.00 H new ATOM 0 HA GLN A 71 1.123 9.782 0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.919 11.954 0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.748 11.255 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.069 8.967 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.519 9.830 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.730 9.821 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.825 10.072 0.702 1.00 0.00 H new ATOM 1209 N VAL A 72 1.806 13.002 0.230 1.00 0.00 N ATOM 1210 CA VAL A 72 2.577 14.000 -0.500 1.00 0.00 C ATOM 1211 C VAL A 72 4.038 13.583 -0.613 1.00 0.00 C ATOM 1212 O VAL A 72 4.586 13.491 -1.712 1.00 0.00 O ATOM 1213 CB VAL A 72 2.501 15.379 0.182 1.00 0.00 C ATOM 1214 CG1 VAL A 72 3.130 16.447 -0.698 1.00 0.00 C ATOM 1215 CG2 VAL A 72 1.059 15.733 0.514 1.00 0.00 C ATOM 0 H VAL A 72 1.349 13.355 1.071 1.00 0.00 H new ATOM 0 HA VAL A 72 2.141 14.073 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 72 3.063 15.333 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.066 17.414 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.176 16.200 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.599 16.494 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.026 16.710 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.471 15.760 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.646 14.983 1.188 1.00 0.00 H new ATOM 1225 N GLU A 73 4.666 13.324 0.531 1.00 0.00 N ATOM 1226 CA GLU A 73 6.063 12.912 0.552 1.00 0.00 C ATOM 1227 C GLU A 73 6.244 11.592 -0.183 1.00 0.00 C ATOM 1228 O GLU A 73 7.239 11.395 -0.882 1.00 0.00 O ATOM 1229 CB GLU A 73 6.564 12.789 1.993 1.00 0.00 C ATOM 1230 CG GLU A 73 7.990 13.275 2.184 1.00 0.00 C ATOM 1231 CD GLU A 73 8.058 14.645 2.830 1.00 0.00 C ATOM 1232 OE1 GLU A 73 7.729 15.639 2.151 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.438 14.722 4.018 1.00 0.00 O ATOM 0 H GLU A 73 4.230 13.392 1.451 1.00 0.00 H new ATOM 0 HA GLU A 73 6.651 13.675 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.904 13.358 2.648 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.500 11.746 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.534 12.559 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.491 13.308 1.217 1.00 0.00 H new ATOM 1240 N TYR A 74 5.274 10.695 -0.038 1.00 0.00 N ATOM 1241 CA TYR A 74 5.334 9.402 -0.709 1.00 0.00 C ATOM 1242 C TYR A 74 5.542 9.609 -2.202 1.00 0.00 C ATOM 1243 O TYR A 74 6.321 8.900 -2.841 1.00 0.00 O ATOM 1244 CB TYR A 74 4.049 8.609 -0.463 1.00 0.00 C ATOM 1245 CG TYR A 74 4.188 7.129 -0.735 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.467 6.661 -2.015 1.00 0.00 C ATOM 1247 CD2 TYR A 74 4.042 6.199 0.286 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.592 5.308 -2.266 1.00 0.00 C ATOM 1249 CE2 TYR A 74 4.168 4.846 0.041 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.442 4.405 -1.236 1.00 0.00 C ATOM 1251 OH TYR A 74 4.567 3.057 -1.482 1.00 0.00 O ATOM 0 H TYR A 74 4.442 10.838 0.534 1.00 0.00 H new ATOM 0 HA TYR A 74 6.172 8.834 -0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.737 8.752 0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.257 9.013 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.588 7.366 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.826 6.540 1.288 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.806 4.960 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.052 4.136 0.847 1.00 0.00 H new ATOM 0 HH TYR A 74 4.225 2.855 -2.378 1.00 0.00 H new ATOM 1261 N ASP A 75 4.847 10.602 -2.744 1.00 0.00 N ATOM 1262 CA ASP A 75 4.955 10.934 -4.158 1.00 0.00 C ATOM 1263 C ASP A 75 6.294 11.606 -4.446 1.00 0.00 C ATOM 1264 O ASP A 75 6.857 11.448 -5.530 1.00 0.00 O ATOM 1265 CB ASP A 75 3.806 11.851 -4.578 1.00 0.00 C ATOM 1266 CG ASP A 75 2.616 11.078 -5.111 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.809 9.933 -5.574 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.489 11.616 -5.066 1.00 0.00 O ATOM 0 H ASP A 75 4.200 11.193 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 75 4.896 10.011 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.493 12.451 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.158 12.544 -5.343 1.00 0.00 H new ATOM 1273 N GLN A 76 6.798 12.360 -3.470 1.00 0.00 N ATOM 1274 CA GLN A 76 8.071 13.055 -3.626 1.00 0.00 C ATOM 1275 C GLN A 76 9.215 12.063 -3.812 1.00 0.00 C ATOM 1276 O GLN A 76 10.208 12.363 -4.475 1.00 0.00 O ATOM 1277 CB GLN A 76 8.343 13.943 -2.411 1.00 0.00 C ATOM 1278 CG GLN A 76 7.690 15.312 -2.499 1.00 0.00 C ATOM 1279 CD GLN A 76 8.654 16.440 -2.191 1.00 0.00 C ATOM 1280 OE1 GLN A 76 8.733 17.424 -2.927 1.00 0.00 O ATOM 1281 NE2 GLN A 76 9.395 16.304 -1.096 1.00 0.00 N ATOM 0 H GLN A 76 6.345 12.504 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 76 8.008 13.679 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.986 13.437 -1.514 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.420 14.070 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.282 15.452 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.852 15.356 -1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.297 15.472 -0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 76 10.061 17.032 -0.837 1.00 0.00 H new ATOM 1290 N LEU A 77 9.071 10.881 -3.222 1.00 0.00 N ATOM 1291 CA LEU A 77 10.094 9.847 -3.323 1.00 0.00 C ATOM 1292 C LEU A 77 9.847 8.949 -4.531 1.00 0.00 C ATOM 1293 O LEU A 77 10.786 8.519 -5.201 1.00 0.00 O ATOM 1294 CB LEU A 77 10.126 9.006 -2.045 1.00 0.00 C ATOM 1295 CG LEU A 77 10.774 9.688 -0.839 1.00 0.00 C ATOM 1296 CD1 LEU A 77 10.390 8.975 0.448 1.00 0.00 C ATOM 1297 CD2 LEU A 77 12.287 9.725 -0.997 1.00 0.00 C ATOM 0 H LEU A 77 8.256 10.616 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 77 11.058 10.338 -3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.104 8.732 -1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.662 8.079 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 77 10.408 10.713 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.860 9.474 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.307 8.999 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.727 7.939 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.732 10.214 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.670 8.707 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.545 10.281 -1.899 1.00 0.00 H new ATOM 1309 N THR A 78 8.577 8.671 -4.804 1.00 0.00 N ATOM 1310 CA THR A 78 8.208 7.824 -5.934 1.00 0.00 C ATOM 1311 C THR A 78 8.144 8.638 -7.224 1.00 0.00 C ATOM 1312 O THR A 78 7.984 9.858 -7.190 1.00 0.00 O ATOM 1313 CB THR A 78 6.859 7.151 -5.675 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.927 8.080 -5.151 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.946 5.992 -4.705 1.00 0.00 C ATOM 0 H THR A 78 7.787 9.018 -4.260 1.00 0.00 H new ATOM 0 HA THR A 78 8.973 7.056 -6.046 1.00 0.00 H new ATOM 0 HB THR A 78 6.535 6.771 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.941 8.040 -4.172 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.955 5.559 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.620 5.234 -5.103 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.325 6.347 -3.747 1.00 0.00 H new