USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=10 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 33 TYR OH : rot -140:sc= -1.57! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.26 K(o=-3.8,f=-13!) USER MOD Single : A 11 HIS : no HD1:sc= -0.0481 X(o=-0.048,f=-0.17) USER MOD Single : A 12 LYS NZ :NH3+ -114:sc= -0.0264 (180deg=-1.78) USER MOD Single : A 19 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.6!) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.796) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 131:sc= -1.01 USER MOD Single : A 32 MET CE :methyl -157:sc= -0.0769 (180deg=-0.481) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -85:sc= 1.02 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.05 K(o=-1.1,f=-9.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 74 TYR OH : rot -136:sc= 0.593 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot -87:sc= -0.0719 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -11.295 3.945 0.976 1.00 0.00 N ATOM 79 CA VAL A 5 -10.379 3.410 -0.024 1.00 0.00 C ATOM 80 C VAL A 5 -9.810 2.064 0.414 1.00 0.00 C ATOM 81 O VAL A 5 -9.428 1.241 -0.417 1.00 0.00 O ATOM 82 CB VAL A 5 -9.215 4.381 -0.304 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.376 3.885 -1.471 1.00 0.00 C ATOM 84 CG2 VAL A 5 -9.740 5.784 -0.572 1.00 0.00 C ATOM 0 HA VAL A 5 -10.957 3.278 -0.939 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.579 4.421 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.559 4.583 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.968 2.903 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.999 3.813 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -8.903 6.454 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.401 5.766 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.293 6.138 0.298 1.00 0.00 H new ATOM 94 N ALA A 6 -9.756 1.846 1.726 1.00 0.00 N ATOM 95 CA ALA A 6 -9.233 0.599 2.272 1.00 0.00 C ATOM 96 C ALA A 6 -9.991 -0.603 1.721 1.00 0.00 C ATOM 97 O ALA A 6 -9.392 -1.618 1.364 1.00 0.00 O ATOM 98 CB ALA A 6 -9.302 0.618 3.792 1.00 0.00 C ATOM 0 H ALA A 6 -10.068 2.516 2.429 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.190 0.508 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.908 -0.319 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.709 1.449 4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.338 0.737 4.108 1.00 0.00 H new ATOM 104 N ARG A 7 -11.310 -0.478 1.652 1.00 0.00 N ATOM 105 CA ARG A 7 -12.154 -1.552 1.140 1.00 0.00 C ATOM 106 C ARG A 7 -11.921 -1.757 -0.352 1.00 0.00 C ATOM 107 O ARG A 7 -11.621 -2.865 -0.801 1.00 0.00 O ATOM 108 CB ARG A 7 -13.630 -1.241 1.402 1.00 0.00 C ATOM 109 CG ARG A 7 -14.463 -2.473 1.714 1.00 0.00 C ATOM 110 CD ARG A 7 -15.842 -2.390 1.077 1.00 0.00 C ATOM 111 NE ARG A 7 -16.515 -1.132 1.391 1.00 0.00 N ATOM 112 CZ ARG A 7 -17.130 -0.889 2.547 1.00 0.00 C ATOM 113 NH1 ARG A 7 -17.159 -1.814 3.500 1.00 0.00 N ATOM 114 NH2 ARG A 7 -17.717 0.281 2.752 1.00 0.00 N ATOM 0 H ARG A 7 -11.819 0.356 1.944 1.00 0.00 H new ATOM 0 HA ARG A 7 -11.888 -2.471 1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.703 -0.542 2.235 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.048 -0.741 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.947 -3.363 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.566 -2.580 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -15.749 -2.491 -0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -16.452 -3.224 1.424 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.514 -0.397 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -16.709 -2.717 3.349 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.632 -1.622 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -17.698 0.996 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.188 0.467 3.637 1.00 0.00 H new ATOM 128 N GLU A 8 -12.060 -0.680 -1.111 1.00 0.00 N ATOM 129 CA GLU A 8 -11.864 -0.730 -2.557 1.00 0.00 C ATOM 130 C GLU A 8 -10.460 -1.220 -2.893 1.00 0.00 C ATOM 131 O GLU A 8 -10.252 -1.898 -3.900 1.00 0.00 O ATOM 132 CB GLU A 8 -12.098 0.652 -3.172 1.00 0.00 C ATOM 133 CG GLU A 8 -12.437 0.608 -4.652 1.00 0.00 C ATOM 134 CD GLU A 8 -12.326 1.967 -5.316 1.00 0.00 C ATOM 135 OE1 GLU A 8 -12.852 2.948 -4.749 1.00 0.00 O ATOM 136 OE2 GLU A 8 -11.716 2.049 -6.404 1.00 0.00 O ATOM 0 H GLU A 8 -12.308 0.242 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.586 -1.431 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.908 1.147 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.204 1.260 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.769 -0.093 -5.153 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.451 0.228 -4.778 1.00 0.00 H new ATOM 143 N PHE A 9 -9.500 -0.875 -2.041 1.00 0.00 N ATOM 144 CA PHE A 9 -8.116 -1.284 -2.244 1.00 0.00 C ATOM 145 C PHE A 9 -7.986 -2.802 -2.164 1.00 0.00 C ATOM 146 O PHE A 9 -7.439 -3.436 -3.065 1.00 0.00 O ATOM 147 CB PHE A 9 -7.209 -0.626 -1.201 1.00 0.00 C ATOM 148 CG PHE A 9 -5.762 -1.014 -1.328 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.154 -1.078 -2.572 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.011 -1.315 -0.203 1.00 0.00 C ATOM 151 CE1 PHE A 9 -3.824 -1.436 -2.691 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.680 -1.673 -0.316 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.087 -1.733 -1.562 1.00 0.00 C ATOM 0 H PHE A 9 -9.656 -0.313 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.806 -0.960 -3.238 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.295 0.457 -1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.562 -0.894 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.726 -0.846 -3.458 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.470 -1.269 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.362 -1.483 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.105 -1.905 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.048 -2.012 -1.653 1.00 0.00 H new ATOM 163 N ARG A 10 -8.493 -3.376 -1.079 1.00 0.00 N ATOM 164 CA ARG A 10 -8.435 -4.820 -0.877 1.00 0.00 C ATOM 165 C ARG A 10 -9.045 -5.565 -2.061 1.00 0.00 C ATOM 166 O ARG A 10 -8.510 -6.576 -2.513 1.00 0.00 O ATOM 167 CB ARG A 10 -9.167 -5.204 0.410 1.00 0.00 C ATOM 168 CG ARG A 10 -8.802 -6.585 0.930 1.00 0.00 C ATOM 169 CD ARG A 10 -9.295 -6.792 2.354 1.00 0.00 C ATOM 170 NE ARG A 10 -9.853 -8.129 2.553 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.664 -8.451 3.558 1.00 0.00 C ATOM 172 NH1 ARG A 10 -11.013 -7.539 4.457 1.00 0.00 N ATOM 173 NH2 ARG A 10 -11.127 -9.689 3.665 1.00 0.00 N ATOM 0 H ARG A 10 -8.949 -2.863 -0.325 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.386 -5.106 -0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.944 -4.465 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.242 -5.164 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.234 -7.346 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.720 -6.714 0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.470 -6.637 3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.053 -6.045 2.587 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.606 -8.857 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.659 -6.585 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.635 -7.792 5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.862 -10.394 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.749 -9.936 4.435 1.00 0.00 H new ATOM 187 N HIS A 11 -10.169 -5.058 -2.557 1.00 0.00 N ATOM 188 CA HIS A 11 -10.853 -5.679 -3.688 1.00 0.00 C ATOM 189 C HIS A 11 -9.965 -5.691 -4.928 1.00 0.00 C ATOM 190 O HIS A 11 -9.749 -6.738 -5.540 1.00 0.00 O ATOM 191 CB HIS A 11 -12.158 -4.940 -3.989 1.00 0.00 C ATOM 192 CG HIS A 11 -13.213 -5.141 -2.945 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.352 -6.313 -2.231 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.186 -4.312 -2.496 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.362 -6.195 -1.388 1.00 0.00 C ATOM 196 NE2 HIS A 11 -14.884 -4.992 -1.529 1.00 0.00 N ATOM 0 H HIS A 11 -10.626 -4.221 -2.195 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.079 -6.711 -3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.949 -3.874 -4.083 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.543 -5.276 -4.952 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.377 -3.305 -2.835 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.703 -6.955 -0.700 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.678 -4.626 -1.004 1.00 0.00 H new ATOM 205 N LYS A 12 -9.452 -4.521 -5.299 1.00 0.00 N ATOM 206 CA LYS A 12 -8.591 -4.405 -6.470 1.00 0.00 C ATOM 207 C LYS A 12 -7.330 -5.248 -6.306 1.00 0.00 C ATOM 208 O LYS A 12 -6.891 -5.907 -7.247 1.00 0.00 O ATOM 209 CB LYS A 12 -8.214 -2.943 -6.712 1.00 0.00 C ATOM 210 CG LYS A 12 -7.485 -2.302 -5.545 1.00 0.00 C ATOM 211 CD LYS A 12 -6.881 -0.964 -5.931 1.00 0.00 C ATOM 212 CE LYS A 12 -5.414 -1.104 -6.306 1.00 0.00 C ATOM 213 NZ LYS A 12 -5.025 -0.159 -7.390 1.00 0.00 N ATOM 0 H LYS A 12 -9.617 -3.643 -4.807 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.144 -4.776 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.586 -2.881 -7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.119 -2.373 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.177 -2.163 -4.715 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.698 -2.970 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.434 -0.542 -6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.981 -0.265 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.796 -0.922 -5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.218 -2.127 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.777 -0.695 -8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.821 0.477 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.205 0.402 -7.084 1.00 0.00 H new ATOM 227 N VAL A 13 -6.752 -5.226 -5.107 1.00 0.00 N ATOM 228 CA VAL A 13 -5.543 -5.994 -4.828 1.00 0.00 C ATOM 229 C VAL A 13 -5.730 -7.457 -5.219 1.00 0.00 C ATOM 230 O VAL A 13 -4.920 -8.024 -5.951 1.00 0.00 O ATOM 231 CB VAL A 13 -5.147 -5.910 -3.339 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.901 -6.740 -3.063 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.928 -4.462 -2.926 1.00 0.00 C ATOM 0 H VAL A 13 -7.101 -4.686 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.742 -5.558 -5.425 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.965 -6.318 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.641 -6.666 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.095 -7.782 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.074 -6.367 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.649 -4.422 -1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.130 -4.028 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.847 -3.897 -3.080 1.00 0.00 H new ATOM 243 N ASP A 14 -6.810 -8.060 -4.731 1.00 0.00 N ATOM 244 CA ASP A 14 -7.107 -9.452 -5.040 1.00 0.00 C ATOM 245 C ASP A 14 -7.344 -9.621 -6.538 1.00 0.00 C ATOM 246 O ASP A 14 -7.021 -10.657 -7.118 1.00 0.00 O ATOM 247 CB ASP A 14 -8.333 -9.923 -4.255 1.00 0.00 C ATOM 248 CG ASP A 14 -8.057 -11.180 -3.451 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.681 -12.203 -4.061 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.216 -11.139 -2.213 1.00 0.00 O ATOM 0 H ASP A 14 -7.491 -7.607 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.252 -10.062 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.658 -9.129 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.154 -10.110 -4.947 1.00 0.00 H new ATOM 255 N PHE A 15 -7.908 -8.587 -7.157 1.00 0.00 N ATOM 256 CA PHE A 15 -8.189 -8.608 -8.586 1.00 0.00 C ATOM 257 C PHE A 15 -6.893 -8.579 -9.394 1.00 0.00 C ATOM 258 O PHE A 15 -6.763 -9.269 -10.404 1.00 0.00 O ATOM 259 CB PHE A 15 -9.071 -7.416 -8.967 1.00 0.00 C ATOM 260 CG PHE A 15 -10.382 -7.811 -9.583 1.00 0.00 C ATOM 261 CD1 PHE A 15 -11.131 -8.848 -9.047 1.00 0.00 C ATOM 262 CD2 PHE A 15 -10.867 -7.147 -10.698 1.00 0.00 C ATOM 263 CE1 PHE A 15 -12.338 -9.213 -9.613 1.00 0.00 C ATOM 264 CE2 PHE A 15 -12.073 -7.508 -11.268 1.00 0.00 C ATOM 265 CZ PHE A 15 -12.809 -8.542 -10.723 1.00 0.00 C ATOM 0 H PHE A 15 -8.179 -7.723 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.719 -9.532 -8.817 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -9.263 -6.818 -8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.527 -6.781 -9.666 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.767 -9.376 -8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -10.295 -6.337 -11.127 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.912 -10.023 -9.187 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.439 -6.983 -12.138 1.00 0.00 H new ATOM 0 HZ PHE A 15 -13.753 -8.825 -11.165 1.00 0.00 H new ATOM 275 N LEU A 16 -5.938 -7.773 -8.939 1.00 0.00 N ATOM 276 CA LEU A 16 -4.653 -7.651 -9.618 1.00 0.00 C ATOM 277 C LEU A 16 -3.698 -8.750 -9.170 1.00 0.00 C ATOM 278 O LEU A 16 -3.314 -9.615 -9.959 1.00 0.00 O ATOM 279 CB LEU A 16 -4.032 -6.278 -9.341 1.00 0.00 C ATOM 280 CG LEU A 16 -5.013 -5.101 -9.370 1.00 0.00 C ATOM 281 CD1 LEU A 16 -4.735 -4.142 -8.222 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.932 -4.373 -10.703 1.00 0.00 C ATOM 0 H LEU A 16 -6.030 -7.195 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.825 -7.755 -10.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.551 -6.305 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.249 -6.096 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.023 -5.494 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.442 -3.313 -8.261 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.844 -4.668 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.719 -3.756 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.635 -3.540 -10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.921 -3.994 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.182 -5.062 -11.510 1.00 0.00 H new ATOM 294 N ILE A 17 -3.321 -8.708 -7.900 1.00 0.00 N ATOM 295 CA ILE A 17 -2.411 -9.698 -7.337 1.00 0.00 C ATOM 296 C ILE A 17 -3.095 -11.050 -7.191 1.00 0.00 C ATOM 297 O ILE A 17 -2.742 -12.015 -7.870 1.00 0.00 O ATOM 298 CB ILE A 17 -1.877 -9.248 -5.962 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.312 -7.828 -6.051 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.817 -10.221 -5.458 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.709 -7.333 -4.755 1.00 0.00 C ATOM 0 H ILE A 17 -3.632 -7.997 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.574 -9.793 -8.029 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.703 -9.245 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.551 -7.797 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.108 -7.148 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.451 -9.889 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.253 -11.215 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.011 -10.255 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.329 -6.321 -4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.472 -7.331 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.109 -7.990 -4.460 1.00 0.00 H new ATOM 313 N GLU A 18 -4.078 -11.111 -6.299 1.00 0.00 N ATOM 314 CA GLU A 18 -4.827 -12.342 -6.053 1.00 0.00 C ATOM 315 C GLU A 18 -4.019 -13.338 -5.219 1.00 0.00 C ATOM 316 O GLU A 18 -4.487 -14.441 -4.936 1.00 0.00 O ATOM 317 CB GLU A 18 -5.246 -12.993 -7.374 1.00 0.00 C ATOM 318 CG GLU A 18 -6.492 -13.854 -7.261 1.00 0.00 C ATOM 319 CD GLU A 18 -6.551 -14.936 -8.321 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.594 -14.590 -9.521 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.552 -16.129 -7.952 1.00 0.00 O ATOM 0 H GLU A 18 -4.377 -10.319 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.719 -12.070 -5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.420 -12.212 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.424 -13.606 -7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.522 -14.315 -6.274 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.375 -13.221 -7.344 1.00 0.00 H new ATOM 328 N ASN A 19 -2.807 -12.952 -4.829 1.00 0.00 N ATOM 329 CA ASN A 19 -1.950 -13.820 -4.032 1.00 0.00 C ATOM 330 C ASN A 19 -2.060 -13.484 -2.549 1.00 0.00 C ATOM 331 O ASN A 19 -1.949 -12.323 -2.156 1.00 0.00 O ATOM 332 CB ASN A 19 -0.496 -13.697 -4.492 1.00 0.00 C ATOM 333 CG ASN A 19 0.201 -15.041 -4.573 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.375 -16.073 -4.232 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.450 -15.033 -5.025 1.00 0.00 N ATOM 0 H ASN A 19 -2.398 -12.045 -5.052 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.283 -14.848 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.467 -13.216 -5.470 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.047 -13.050 -3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.971 -15.907 -5.100 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.888 -14.153 -5.297 1.00 0.00 H new ATOM 342 N ASP A 20 -2.278 -14.507 -1.728 1.00 0.00 N ATOM 343 CA ASP A 20 -2.401 -14.318 -0.288 1.00 0.00 C ATOM 344 C ASP A 20 -1.065 -13.905 0.321 1.00 0.00 C ATOM 345 O ASP A 20 -1.019 -13.147 1.289 1.00 0.00 O ATOM 346 CB ASP A 20 -2.903 -15.601 0.377 1.00 0.00 C ATOM 347 CG ASP A 20 -4.339 -15.919 0.007 1.00 0.00 C ATOM 348 OD1 ASP A 20 -5.188 -15.004 0.075 1.00 0.00 O ATOM 349 OD2 ASP A 20 -4.616 -17.083 -0.350 1.00 0.00 O ATOM 0 H ASP A 20 -2.373 -15.475 -2.036 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.123 -13.521 -0.112 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.262 -16.433 0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.823 -15.502 1.459 1.00 0.00 H new ATOM 354 N ALA A 21 0.022 -14.409 -0.255 1.00 0.00 N ATOM 355 CA ALA A 21 1.360 -14.092 0.228 1.00 0.00 C ATOM 356 C ALA A 21 1.691 -12.622 -0.002 1.00 0.00 C ATOM 357 O ALA A 21 2.195 -11.939 0.889 1.00 0.00 O ATOM 358 CB ALA A 21 2.390 -14.979 -0.452 1.00 0.00 C ATOM 0 H ALA A 21 0.002 -15.039 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 21 1.387 -14.281 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.385 -14.731 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.171 -16.024 -0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.354 -14.819 -1.530 1.00 0.00 H new ATOM 364 N GLU A 22 1.401 -12.145 -1.205 1.00 0.00 N ATOM 365 CA GLU A 22 1.664 -10.757 -1.563 1.00 0.00 C ATOM 366 C GLU A 22 0.824 -9.809 -0.716 1.00 0.00 C ATOM 367 O GLU A 22 1.296 -8.755 -0.289 1.00 0.00 O ATOM 368 CB GLU A 22 1.373 -10.527 -3.047 1.00 0.00 C ATOM 369 CG GLU A 22 2.023 -11.553 -3.960 1.00 0.00 C ATOM 370 CD GLU A 22 3.288 -11.033 -4.616 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.202 -10.602 -3.882 1.00 0.00 O ATOM 372 OE2 GLU A 22 3.363 -11.056 -5.862 1.00 0.00 O ATOM 0 H GLU A 22 0.982 -12.700 -1.951 1.00 0.00 H new ATOM 0 HA GLU A 22 2.717 -10.552 -1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.295 -10.544 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.720 -9.532 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.258 -12.448 -3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.313 -11.848 -4.732 1.00 0.00 H new ATOM 379 N LYS A 23 -0.423 -10.194 -0.473 1.00 0.00 N ATOM 380 CA LYS A 23 -1.333 -9.380 0.326 1.00 0.00 C ATOM 381 C LYS A 23 -0.897 -9.359 1.788 1.00 0.00 C ATOM 382 O LYS A 23 -1.106 -8.373 2.493 1.00 0.00 O ATOM 383 CB LYS A 23 -2.762 -9.912 0.214 1.00 0.00 C ATOM 384 CG LYS A 23 -3.543 -9.314 -0.946 1.00 0.00 C ATOM 385 CD LYS A 23 -4.974 -9.827 -0.977 1.00 0.00 C ATOM 386 CE LYS A 23 -5.071 -11.162 -1.698 1.00 0.00 C ATOM 387 NZ LYS A 23 -5.985 -12.107 -0.997 1.00 0.00 N ATOM 0 H LYS A 23 -0.828 -11.065 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.304 -8.361 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.730 -10.996 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.292 -9.705 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.547 -8.227 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.047 -9.559 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.345 -9.935 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.613 -9.097 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.427 -11.000 -2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.079 -11.606 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.871 -13.061 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.754 -12.126 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.969 -11.795 -1.122 1.00 0.00 H new ATOM 401 N ASP A 24 -0.287 -10.451 2.235 1.00 0.00 N ATOM 402 CA ASP A 24 0.180 -10.549 3.612 1.00 0.00 C ATOM 403 C ASP A 24 1.414 -9.677 3.818 1.00 0.00 C ATOM 404 O ASP A 24 1.630 -9.131 4.900 1.00 0.00 O ATOM 405 CB ASP A 24 0.500 -12.002 3.965 1.00 0.00 C ATOM 406 CG ASP A 24 -0.691 -12.730 4.557 1.00 0.00 C ATOM 407 OD1 ASP A 24 -1.514 -12.073 5.226 1.00 0.00 O ATOM 408 OD2 ASP A 24 -0.798 -13.957 4.351 1.00 0.00 O ATOM 0 H ASP A 24 -0.105 -11.278 1.666 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.614 -10.195 4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.833 -12.526 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.327 -12.027 4.675 1.00 0.00 H new ATOM 413 N TYR A 25 2.217 -9.549 2.767 1.00 0.00 N ATOM 414 CA TYR A 25 3.428 -8.740 2.823 1.00 0.00 C ATOM 415 C TYR A 25 3.083 -7.257 2.916 1.00 0.00 C ATOM 416 O TYR A 25 3.612 -6.538 3.764 1.00 0.00 O ATOM 417 CB TYR A 25 4.295 -9.001 1.589 1.00 0.00 C ATOM 418 CG TYR A 25 5.714 -9.407 1.920 1.00 0.00 C ATOM 419 CD1 TYR A 25 5.992 -10.657 2.456 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.774 -8.539 1.694 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.287 -11.031 2.759 1.00 0.00 C ATOM 422 CE2 TYR A 25 8.072 -8.905 1.992 1.00 0.00 C ATOM 423 CZ TYR A 25 8.322 -10.153 2.525 1.00 0.00 C ATOM 424 OH TYR A 25 9.615 -10.521 2.826 1.00 0.00 O ATOM 0 H TYR A 25 2.050 -9.996 1.865 1.00 0.00 H new ATOM 0 HA TYR A 25 3.987 -9.021 3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.832 -9.785 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.318 -8.101 0.974 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.183 -11.348 2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.580 -7.561 1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.487 -12.007 3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.886 -8.219 1.809 1.00 0.00 H new ATOM 0 HH TYR A 25 10.225 -9.788 2.600 1.00 0.00 H new ATOM 434 N LEU A 26 2.192 -6.806 2.037 1.00 0.00 N ATOM 435 CA LEU A 26 1.777 -5.410 2.020 1.00 0.00 C ATOM 436 C LEU A 26 1.023 -5.052 3.297 1.00 0.00 C ATOM 437 O LEU A 26 1.116 -3.927 3.790 1.00 0.00 O ATOM 438 CB LEU A 26 0.906 -5.128 0.789 1.00 0.00 C ATOM 439 CG LEU A 26 -0.541 -5.615 0.884 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.405 -4.587 1.596 1.00 0.00 C ATOM 441 CD2 LEU A 26 -1.093 -5.911 -0.502 1.00 0.00 C ATOM 0 H LEU A 26 1.745 -7.388 1.329 1.00 0.00 H new ATOM 0 HA LEU A 26 2.671 -4.789 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.899 -4.053 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.372 -5.594 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.558 -6.537 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.431 -4.951 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.021 -4.423 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.384 -3.648 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.123 -6.256 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.063 -5.005 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.489 -6.684 -0.977 1.00 0.00 H new ATOM 453 N TYR A 27 0.280 -6.016 3.832 1.00 0.00 N ATOM 454 CA TYR A 27 -0.484 -5.800 5.055 1.00 0.00 C ATOM 455 C TYR A 27 0.449 -5.645 6.251 1.00 0.00 C ATOM 456 O TYR A 27 0.189 -4.853 7.157 1.00 0.00 O ATOM 457 CB TYR A 27 -1.453 -6.963 5.291 1.00 0.00 C ATOM 458 CG TYR A 27 -2.898 -6.614 5.012 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.394 -6.612 3.715 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.764 -6.285 6.048 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.713 -6.292 3.458 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.086 -5.966 5.797 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.555 -5.971 4.500 1.00 0.00 C ATOM 464 OH TYR A 27 -6.869 -5.653 4.249 1.00 0.00 O ATOM 0 H TYR A 27 0.191 -6.953 3.438 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.058 -4.881 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.162 -7.801 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.362 -7.297 6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.739 -6.864 2.895 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.399 -6.278 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.083 -6.293 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.748 -5.714 6.612 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.450 -6.168 4.847 1.00 0.00 H new ATOM 474 N ASP A 28 1.537 -6.405 6.243 1.00 0.00 N ATOM 475 CA ASP A 28 2.516 -6.354 7.324 1.00 0.00 C ATOM 476 C ASP A 28 3.258 -5.023 7.317 1.00 0.00 C ATOM 477 O ASP A 28 3.562 -4.463 8.370 1.00 0.00 O ATOM 478 CB ASP A 28 3.511 -7.508 7.194 1.00 0.00 C ATOM 479 CG ASP A 28 2.935 -8.825 7.674 1.00 0.00 C ATOM 480 OD1 ASP A 28 2.324 -8.846 8.762 1.00 0.00 O ATOM 481 OD2 ASP A 28 3.096 -9.838 6.960 1.00 0.00 O ATOM 0 H ASP A 28 1.765 -7.065 5.499 1.00 0.00 H new ATOM 0 HA ASP A 28 1.984 -6.450 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.815 -7.606 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.408 -7.277 7.768 1.00 0.00 H new ATOM 486 N VAL A 29 3.545 -4.519 6.121 1.00 0.00 N ATOM 487 CA VAL A 29 4.251 -3.252 5.974 1.00 0.00 C ATOM 488 C VAL A 29 3.411 -2.096 6.507 1.00 0.00 C ATOM 489 O VAL A 29 3.909 -1.240 7.239 1.00 0.00 O ATOM 490 CB VAL A 29 4.615 -2.976 4.503 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.484 -1.732 4.389 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.313 -4.180 3.888 1.00 0.00 C ATOM 0 H VAL A 29 3.299 -4.969 5.239 1.00 0.00 H new ATOM 0 HA VAL A 29 5.170 -3.330 6.555 1.00 0.00 H new ATOM 0 HB VAL A 29 3.693 -2.798 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.730 -1.555 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.943 -0.873 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.402 -1.876 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.562 -3.965 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.226 -4.394 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.651 -5.045 3.931 1.00 0.00 H new ATOM 502 N LEU A 30 2.136 -2.077 6.137 1.00 0.00 N ATOM 503 CA LEU A 30 1.226 -1.027 6.579 1.00 0.00 C ATOM 504 C LEU A 30 1.044 -1.072 8.094 1.00 0.00 C ATOM 505 O LEU A 30 1.094 -0.041 8.766 1.00 0.00 O ATOM 506 CB LEU A 30 -0.130 -1.170 5.886 1.00 0.00 C ATOM 507 CG LEU A 30 -0.239 -0.477 4.526 1.00 0.00 C ATOM 508 CD1 LEU A 30 -1.523 -0.884 3.820 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.176 1.034 4.691 1.00 0.00 C ATOM 0 H LEU A 30 1.708 -2.778 5.531 1.00 0.00 H new ATOM 0 HA LEU A 30 1.662 -0.065 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.343 -2.231 5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.901 -0.769 6.544 1.00 0.00 H new ATOM 0 HG LEU A 30 0.605 -0.791 3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.583 -0.381 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.528 -1.963 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.380 -0.600 4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.255 1.510 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.999 1.366 5.324 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.771 1.310 5.154 1.00 0.00 H new ATOM 521 N ARG A 31 0.835 -2.273 8.624 1.00 0.00 N ATOM 522 CA ARG A 31 0.647 -2.455 10.059 1.00 0.00 C ATOM 523 C ARG A 31 1.841 -1.910 10.836 1.00 0.00 C ATOM 524 O ARG A 31 1.683 -1.299 11.893 1.00 0.00 O ATOM 525 CB ARG A 31 0.443 -3.937 10.385 1.00 0.00 C ATOM 526 CG ARG A 31 -0.697 -4.194 11.356 1.00 0.00 C ATOM 527 CD ARG A 31 -0.236 -4.102 12.802 1.00 0.00 C ATOM 528 NE ARG A 31 0.400 -5.339 13.256 1.00 0.00 N ATOM 529 CZ ARG A 31 1.715 -5.550 13.255 1.00 0.00 C ATOM 530 NH1 ARG A 31 2.549 -4.610 12.825 1.00 0.00 N ATOM 531 NH2 ARG A 31 2.199 -6.706 13.686 1.00 0.00 N ATOM 0 H ARG A 31 0.792 -3.135 8.081 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.242 -1.900 10.358 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.251 -4.481 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.365 -4.338 10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.494 -3.471 11.181 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.117 -5.182 11.170 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.466 -3.274 12.907 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.090 -3.878 13.441 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.203 -6.088 13.595 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.184 -3.718 12.492 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.555 -4.780 12.828 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.565 -7.433 14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.206 -6.869 13.686 1.00 0.00 H new ATOM 545 N MET A 32 3.035 -2.128 10.298 1.00 0.00 N ATOM 546 CA MET A 32 4.258 -1.656 10.933 1.00 0.00 C ATOM 547 C MET A 32 4.508 -0.191 10.598 1.00 0.00 C ATOM 548 O MET A 32 5.090 0.549 11.392 1.00 0.00 O ATOM 549 CB MET A 32 5.451 -2.505 10.486 1.00 0.00 C ATOM 550 CG MET A 32 5.436 -3.918 11.046 1.00 0.00 C ATOM 551 SD MET A 32 6.195 -4.024 12.678 1.00 0.00 S ATOM 552 CE MET A 32 7.919 -3.773 12.270 1.00 0.00 C ATOM 0 H MET A 32 3.182 -2.630 9.422 1.00 0.00 H new ATOM 0 HA MET A 32 4.140 -1.751 12.012 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.463 -2.555 9.397 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.373 -2.011 10.793 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.406 -4.271 11.104 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.962 -4.582 10.361 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.544 -4.200 13.054 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.143 -4.260 11.321 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.121 -2.705 12.186 1.00 0.00 H new ATOM 562 N TYR A 33 4.061 0.224 9.416 1.00 0.00 N ATOM 563 CA TYR A 33 4.232 1.601 8.973 1.00 0.00 C ATOM 564 C TYR A 33 3.516 2.565 9.915 1.00 0.00 C ATOM 565 O TYR A 33 3.957 3.697 10.114 1.00 0.00 O ATOM 566 CB TYR A 33 3.698 1.767 7.548 1.00 0.00 C ATOM 567 CG TYR A 33 3.741 3.192 7.042 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.938 3.895 6.988 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.584 3.832 6.617 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.980 5.196 6.528 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.618 5.134 6.154 1.00 0.00 C ATOM 572 CZ TYR A 33 3.818 5.811 6.112 1.00 0.00 C ATOM 573 OH TYR A 33 3.857 7.107 5.651 1.00 0.00 O ATOM 0 H TYR A 33 3.577 -0.376 8.748 1.00 0.00 H new ATOM 0 HA TYR A 33 5.297 1.835 8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.279 1.135 6.876 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.669 1.409 7.512 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.850 3.416 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.642 3.304 6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.918 5.730 6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.710 5.618 5.827 1.00 0.00 H new ATOM 0 HH TYR A 33 3.078 7.597 5.988 1.00 0.00 H new ATOM 583 N HIS A 34 2.408 2.109 10.490 1.00 0.00 N ATOM 584 CA HIS A 34 1.630 2.930 11.408 1.00 0.00 C ATOM 585 C HIS A 34 2.357 3.097 12.740 1.00 0.00 C ATOM 586 O HIS A 34 2.418 4.195 13.292 1.00 0.00 O ATOM 587 CB HIS A 34 0.252 2.307 11.640 1.00 0.00 C ATOM 588 CG HIS A 34 -0.853 3.312 11.713 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.424 3.721 12.900 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.497 3.996 10.735 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.369 4.610 12.650 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.433 4.794 11.345 1.00 0.00 N ATOM 0 H HIS A 34 2.029 1.175 10.336 1.00 0.00 H new ATOM 0 HA HIS A 34 1.505 3.915 10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.040 1.604 10.835 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.273 1.734 12.567 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.309 3.926 9.674 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.984 5.102 13.388 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.074 5.427 10.867 1.00 0.00 H new ATOM 601 N GLN A 35 2.907 1.999 13.249 1.00 0.00 N ATOM 602 CA GLN A 35 3.629 2.024 14.517 1.00 0.00 C ATOM 603 C GLN A 35 4.999 2.674 14.355 1.00 0.00 C ATOM 604 O GLN A 35 5.432 3.455 15.204 1.00 0.00 O ATOM 605 CB GLN A 35 3.788 0.604 15.065 1.00 0.00 C ATOM 606 CG GLN A 35 2.497 -0.197 15.064 1.00 0.00 C ATOM 607 CD GLN A 35 1.785 -0.156 16.402 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.199 -0.810 17.360 1.00 0.00 O ATOM 609 NE2 GLN A 35 0.705 0.612 16.475 1.00 0.00 N ATOM 0 H GLN A 35 2.867 1.082 12.804 1.00 0.00 H new ATOM 0 HA GLN A 35 3.048 2.618 15.223 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.534 0.076 14.471 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.172 0.658 16.084 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.833 0.191 14.291 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.716 -1.233 14.805 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.397 1.137 15.657 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.183 0.677 17.349 1.00 0.00 H new ATOM 618 N THR A 36 5.676 2.346 13.262 1.00 0.00 N ATOM 619 CA THR A 36 6.998 2.894 12.986 1.00 0.00 C ATOM 620 C THR A 36 6.898 4.313 12.437 1.00 0.00 C ATOM 621 O THR A 36 7.680 5.189 12.807 1.00 0.00 O ATOM 622 CB THR A 36 7.745 2.001 11.994 1.00 0.00 C ATOM 623 OG1 THR A 36 7.068 1.960 10.749 1.00 0.00 O ATOM 624 CG2 THR A 36 7.908 0.577 12.475 1.00 0.00 C ATOM 0 H THR A 36 5.331 1.702 12.551 1.00 0.00 H new ATOM 0 HA THR A 36 7.552 2.927 13.924 1.00 0.00 H new ATOM 0 HB THR A 36 8.734 2.447 11.892 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.372 1.270 10.777 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.446 -0.001 11.724 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.470 0.571 13.409 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.926 0.134 12.639 1.00 0.00 H new ATOM 632 N MET A 37 5.930 4.533 11.552 1.00 0.00 N ATOM 633 CA MET A 37 5.726 5.847 10.951 1.00 0.00 C ATOM 634 C MET A 37 6.930 6.250 10.105 1.00 0.00 C ATOM 635 O MET A 37 7.348 7.408 10.112 1.00 0.00 O ATOM 636 CB MET A 37 5.475 6.896 12.036 1.00 0.00 C ATOM 637 CG MET A 37 4.627 8.066 11.566 1.00 0.00 C ATOM 638 SD MET A 37 3.550 8.709 12.860 1.00 0.00 S ATOM 639 CE MET A 37 1.996 7.930 12.424 1.00 0.00 C ATOM 0 H MET A 37 5.275 3.818 11.235 1.00 0.00 H new ATOM 0 HA MET A 37 4.851 5.791 10.303 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.983 6.419 12.884 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.433 7.273 12.394 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.280 8.864 11.213 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.020 7.752 10.717 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.226 8.231 13.135 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.704 8.238 11.420 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.112 6.847 12.452 1.00 0.00 H new ATOM 649 N ASP A 38 7.481 5.286 9.373 1.00 0.00 N ATOM 650 CA ASP A 38 8.636 5.540 8.518 1.00 0.00 C ATOM 651 C ASP A 38 8.300 5.266 7.055 1.00 0.00 C ATOM 652 O ASP A 38 8.180 4.112 6.642 1.00 0.00 O ATOM 653 CB ASP A 38 9.819 4.671 8.952 1.00 0.00 C ATOM 654 CG ASP A 38 10.502 5.206 10.195 1.00 0.00 C ATOM 655 OD1 ASP A 38 10.801 6.418 10.235 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.739 4.412 11.130 1.00 0.00 O ATOM 0 H ASP A 38 7.147 4.323 9.355 1.00 0.00 H new ATOM 0 HA ASP A 38 8.908 6.591 8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.471 3.655 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.543 4.614 8.139 1.00 0.00 H new ATOM 661 N VAL A 39 8.146 6.333 6.277 1.00 0.00 N ATOM 662 CA VAL A 39 7.822 6.205 4.861 1.00 0.00 C ATOM 663 C VAL A 39 8.940 5.496 4.105 1.00 0.00 C ATOM 664 O VAL A 39 8.687 4.762 3.151 1.00 0.00 O ATOM 665 CB VAL A 39 7.571 7.580 4.214 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.030 7.414 2.802 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.616 8.405 5.065 1.00 0.00 C ATOM 0 H VAL A 39 8.240 7.295 6.603 1.00 0.00 H new ATOM 0 HA VAL A 39 6.910 5.612 4.798 1.00 0.00 H new ATOM 0 HB VAL A 39 8.520 8.112 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.859 8.396 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.752 6.865 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.091 6.862 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.451 9.373 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.665 7.880 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.047 8.554 6.055 1.00 0.00 H new ATOM 677 N ALA A 40 10.175 5.719 4.540 1.00 0.00 N ATOM 678 CA ALA A 40 11.332 5.099 3.903 1.00 0.00 C ATOM 679 C ALA A 40 11.232 3.578 3.945 1.00 0.00 C ATOM 680 O ALA A 40 11.541 2.899 2.967 1.00 0.00 O ATOM 681 CB ALA A 40 12.615 5.564 4.576 1.00 0.00 C ATOM 0 H ALA A 40 10.401 6.323 5.330 1.00 0.00 H new ATOM 0 HA ALA A 40 11.350 5.407 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.471 5.094 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.699 6.647 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.596 5.284 5.629 1.00 0.00 H new ATOM 687 N VAL A 41 10.798 3.050 5.086 1.00 0.00 N ATOM 688 CA VAL A 41 10.657 1.609 5.256 1.00 0.00 C ATOM 689 C VAL A 41 9.451 1.083 4.485 1.00 0.00 C ATOM 690 O VAL A 41 9.494 -0.007 3.911 1.00 0.00 O ATOM 691 CB VAL A 41 10.511 1.228 6.741 1.00 0.00 C ATOM 692 CG1 VAL A 41 10.522 -0.284 6.911 1.00 0.00 C ATOM 693 CG2 VAL A 41 11.611 1.874 7.570 1.00 0.00 C ATOM 0 H VAL A 41 10.538 3.599 5.906 1.00 0.00 H new ATOM 0 HA VAL A 41 11.565 1.153 4.862 1.00 0.00 H new ATOM 0 HB VAL A 41 9.552 1.602 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.418 -0.532 7.967 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.693 -0.719 6.353 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.463 -0.686 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.491 1.593 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.583 1.534 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.548 2.958 7.476 1.00 0.00 H new ATOM 703 N LEU A 42 8.377 1.862 4.477 1.00 0.00 N ATOM 704 CA LEU A 42 7.157 1.477 3.776 1.00 0.00 C ATOM 705 C LEU A 42 7.408 1.351 2.277 1.00 0.00 C ATOM 706 O LEU A 42 7.089 0.329 1.669 1.00 0.00 O ATOM 707 CB LEU A 42 6.049 2.499 4.037 1.00 0.00 C ATOM 708 CG LEU A 42 4.695 2.161 3.411 1.00 0.00 C ATOM 709 CD1 LEU A 42 3.916 1.211 4.308 1.00 0.00 C ATOM 710 CD2 LEU A 42 3.897 3.429 3.151 1.00 0.00 C ATOM 0 H LEU A 42 8.325 2.765 4.948 1.00 0.00 H new ATOM 0 HA LEU A 42 6.841 0.505 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.918 2.603 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.374 3.469 3.660 1.00 0.00 H new ATOM 0 HG LEU A 42 4.870 1.665 2.456 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.955 0.981 3.847 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.483 0.290 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.750 1.680 5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.937 3.170 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.731 3.954 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.451 4.074 2.469 1.00 0.00 H new ATOM 722 N VAL A 43 7.982 2.395 1.689 1.00 0.00 N ATOM 723 CA VAL A 43 8.275 2.400 0.262 1.00 0.00 C ATOM 724 C VAL A 43 9.271 1.302 -0.097 1.00 0.00 C ATOM 725 O VAL A 43 9.146 0.651 -1.134 1.00 0.00 O ATOM 726 CB VAL A 43 8.842 3.760 -0.190 1.00 0.00 C ATOM 727 CG1 VAL A 43 8.974 3.806 -1.707 1.00 0.00 C ATOM 728 CG2 VAL A 43 7.966 4.900 0.313 1.00 0.00 C ATOM 0 H VAL A 43 8.253 3.248 2.179 1.00 0.00 H new ATOM 0 HA VAL A 43 7.333 2.217 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 43 9.836 3.880 0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.376 4.773 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.647 3.015 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.994 3.663 -2.162 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.383 5.852 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.958 4.788 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.929 4.877 1.402 1.00 0.00 H new ATOM 738 N GLY A 44 10.260 1.101 0.769 1.00 0.00 N ATOM 739 CA GLY A 44 11.264 0.081 0.528 1.00 0.00 C ATOM 740 C GLY A 44 10.660 -1.293 0.310 1.00 0.00 C ATOM 741 O GLY A 44 10.825 -1.890 -0.753 1.00 0.00 O ATOM 0 H GLY A 44 10.384 1.627 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.854 0.357 -0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.948 0.043 1.376 1.00 0.00 H new ATOM 745 N ASP A 45 9.954 -1.795 1.320 1.00 0.00 N ATOM 746 CA ASP A 45 9.322 -3.105 1.231 1.00 0.00 C ATOM 747 C ASP A 45 8.295 -3.136 0.104 1.00 0.00 C ATOM 748 O ASP A 45 8.271 -4.063 -0.707 1.00 0.00 O ATOM 749 CB ASP A 45 8.652 -3.463 2.559 1.00 0.00 C ATOM 750 CG ASP A 45 9.625 -3.448 3.721 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.694 -2.816 3.591 1.00 0.00 O ATOM 752 OD2 ASP A 45 9.319 -4.069 4.760 1.00 0.00 O ATOM 0 H ASP A 45 9.806 -1.314 2.207 1.00 0.00 H new ATOM 0 HA ASP A 45 10.096 -3.841 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.844 -2.759 2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.200 -4.452 2.480 1.00 0.00 H new ATOM 757 N LEU A 46 7.447 -2.113 0.060 1.00 0.00 N ATOM 758 CA LEU A 46 6.415 -2.018 -0.967 1.00 0.00 C ATOM 759 C LEU A 46 7.031 -2.053 -2.362 1.00 0.00 C ATOM 760 O LEU A 46 6.414 -2.534 -3.311 1.00 0.00 O ATOM 761 CB LEU A 46 5.603 -0.734 -0.787 1.00 0.00 C ATOM 762 CG LEU A 46 4.506 -0.805 0.277 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.712 0.491 0.314 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.585 -1.988 0.013 1.00 0.00 C ATOM 0 H LEU A 46 7.454 -1.338 0.723 1.00 0.00 H new ATOM 0 HA LEU A 46 5.752 -2.876 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.285 0.076 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.146 -0.475 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 46 4.978 -0.945 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.937 0.421 1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.379 1.320 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.250 0.663 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.810 -2.024 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.121 -1.876 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.163 -2.912 0.038 1.00 0.00 H new ATOM 776 N LYS A 47 8.253 -1.543 -2.479 1.00 0.00 N ATOM 777 CA LYS A 47 8.948 -1.521 -3.762 1.00 0.00 C ATOM 778 C LYS A 47 9.436 -2.917 -4.136 1.00 0.00 C ATOM 779 O LYS A 47 9.275 -3.357 -5.274 1.00 0.00 O ATOM 780 CB LYS A 47 10.128 -0.552 -3.712 1.00 0.00 C ATOM 781 CG LYS A 47 10.731 -0.257 -5.075 1.00 0.00 C ATOM 782 CD LYS A 47 12.143 0.293 -4.956 1.00 0.00 C ATOM 783 CE LYS A 47 12.157 1.811 -5.050 1.00 0.00 C ATOM 784 NZ LYS A 47 13.542 2.355 -5.030 1.00 0.00 N ATOM 0 H LYS A 47 8.781 -1.141 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 47 8.245 -1.183 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.800 0.384 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.900 -0.966 -3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.744 -1.169 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.104 0.461 -5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.577 -0.018 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.767 -0.128 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.658 2.123 -5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.590 2.231 -4.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.509 3.392 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.010 2.079 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.076 1.974 -5.837 1.00 0.00 H new ATOM 798 N LEU A 48 10.034 -3.608 -3.172 1.00 0.00 N ATOM 799 CA LEU A 48 10.547 -4.955 -3.405 1.00 0.00 C ATOM 800 C LEU A 48 9.445 -5.882 -3.908 1.00 0.00 C ATOM 801 O LEU A 48 9.685 -6.745 -4.754 1.00 0.00 O ATOM 802 CB LEU A 48 11.156 -5.521 -2.119 1.00 0.00 C ATOM 803 CG LEU A 48 12.216 -4.640 -1.459 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.227 -4.854 0.046 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.588 -4.926 -2.049 1.00 0.00 C ATOM 0 H LEU A 48 10.176 -3.260 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 48 11.320 -4.892 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.354 -5.695 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.600 -6.491 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 48 11.967 -3.597 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.988 -4.218 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.250 -4.599 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.451 -5.898 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.331 -4.290 -1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.844 -5.972 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.574 -4.721 -3.119 1.00 0.00 H new ATOM 817 N VAL A 49 8.238 -5.701 -3.382 1.00 0.00 N ATOM 818 CA VAL A 49 7.103 -6.526 -3.779 1.00 0.00 C ATOM 819 C VAL A 49 6.384 -5.935 -4.990 1.00 0.00 C ATOM 820 O VAL A 49 6.044 -6.649 -5.933 1.00 0.00 O ATOM 821 CB VAL A 49 6.108 -6.705 -2.607 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.083 -5.580 -2.553 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.419 -8.059 -2.696 1.00 0.00 C ATOM 0 H VAL A 49 8.021 -4.992 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 49 7.495 -7.505 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 49 6.681 -6.663 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.405 -5.746 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.595 -4.627 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.514 -5.561 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.723 -8.168 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.874 -8.129 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.166 -8.851 -2.650 1.00 0.00 H new ATOM 833 N ILE A 50 6.158 -4.627 -4.952 1.00 0.00 N ATOM 834 CA ILE A 50 5.479 -3.935 -6.047 1.00 0.00 C ATOM 835 C ILE A 50 6.466 -3.484 -7.129 1.00 0.00 C ATOM 836 O ILE A 50 6.130 -2.657 -7.977 1.00 0.00 O ATOM 837 CB ILE A 50 4.693 -2.707 -5.537 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.806 -3.097 -4.350 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.853 -2.108 -6.658 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.953 -1.959 -3.834 1.00 0.00 C ATOM 0 H ILE A 50 6.433 -4.023 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 50 4.782 -4.652 -6.481 1.00 0.00 H new ATOM 0 HB ILE A 50 5.406 -1.954 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.157 -3.921 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.437 -3.464 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.306 -1.244 -6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.505 -1.797 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.147 -2.854 -7.022 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.351 -2.307 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.596 -1.142 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.296 -1.607 -4.630 1.00 0.00 H new ATOM 852 N ASN A 51 7.679 -4.030 -7.099 1.00 0.00 N ATOM 853 CA ASN A 51 8.698 -3.679 -8.084 1.00 0.00 C ATOM 854 C ASN A 51 8.189 -3.913 -9.502 1.00 0.00 C ATOM 855 O ASN A 51 8.422 -3.103 -10.399 1.00 0.00 O ATOM 856 CB ASN A 51 9.972 -4.495 -7.846 1.00 0.00 C ATOM 857 CG ASN A 51 9.683 -5.967 -7.623 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.533 -6.402 -7.686 1.00 0.00 O ATOM 859 ND2 ASN A 51 10.728 -6.743 -7.361 1.00 0.00 N ATOM 0 H ASN A 51 7.980 -4.715 -6.406 1.00 0.00 H new ATOM 0 HA ASN A 51 8.927 -2.619 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.637 -4.384 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.499 -4.096 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.595 -7.742 -7.203 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.664 -6.340 -7.318 1.00 0.00 H new ATOM 866 N GLU A 52 7.489 -5.028 -9.695 1.00 0.00 N ATOM 867 CA GLU A 52 6.940 -5.377 -10.999 1.00 0.00 C ATOM 868 C GLU A 52 6.170 -4.203 -11.600 1.00 0.00 C ATOM 869 O GLU A 52 5.145 -3.783 -11.064 1.00 0.00 O ATOM 870 CB GLU A 52 6.020 -6.592 -10.875 1.00 0.00 C ATOM 871 CG GLU A 52 6.754 -7.880 -10.539 1.00 0.00 C ATOM 872 CD GLU A 52 7.440 -8.491 -11.746 1.00 0.00 C ATOM 873 OE1 GLU A 52 6.984 -8.236 -12.879 1.00 0.00 O ATOM 874 OE2 GLU A 52 8.432 -9.226 -11.556 1.00 0.00 O ATOM 0 H GLU A 52 7.289 -5.707 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 52 7.770 -5.620 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.276 -6.396 -10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.480 -6.725 -11.812 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.496 -7.680 -9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.048 -8.599 -10.124 1.00 0.00 H new ATOM 881 N PRO A 53 6.660 -3.652 -12.725 1.00 0.00 N ATOM 882 CA PRO A 53 6.021 -2.521 -13.402 1.00 0.00 C ATOM 883 C PRO A 53 4.500 -2.644 -13.450 1.00 0.00 C ATOM 884 O PRO A 53 3.785 -1.643 -13.437 1.00 0.00 O ATOM 885 CB PRO A 53 6.611 -2.591 -14.808 1.00 0.00 C ATOM 886 CG PRO A 53 7.972 -3.166 -14.613 1.00 0.00 C ATOM 887 CD PRO A 53 7.882 -4.091 -13.425 1.00 0.00 C ATOM 0 HA PRO A 53 6.203 -1.578 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.005 -3.218 -15.462 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.659 -1.604 -15.268 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.295 -3.707 -15.502 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.704 -2.378 -14.436 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.812 -5.134 -13.735 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.761 -4.007 -12.786 1.00 0.00 H new ATOM 895 N SER A 54 4.012 -3.879 -13.505 1.00 0.00 N ATOM 896 CA SER A 54 2.576 -4.132 -13.552 1.00 0.00 C ATOM 897 C SER A 54 1.909 -3.738 -12.237 1.00 0.00 C ATOM 898 O SER A 54 0.795 -3.213 -12.226 1.00 0.00 O ATOM 899 CB SER A 54 2.306 -5.606 -13.852 1.00 0.00 C ATOM 900 OG SER A 54 3.351 -6.427 -13.359 1.00 0.00 O ATOM 0 H SER A 54 4.589 -4.720 -13.518 1.00 0.00 H new ATOM 0 HA SER A 54 2.152 -3.522 -14.350 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.360 -5.905 -13.400 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.204 -5.749 -14.928 1.00 0.00 H new ATOM 0 HG SER A 54 3.153 -7.365 -13.562 1.00 0.00 H new ATOM 906 N ARG A 55 2.597 -4.001 -11.129 1.00 0.00 N ATOM 907 CA ARG A 55 2.072 -3.681 -9.805 1.00 0.00 C ATOM 908 C ARG A 55 2.236 -2.195 -9.478 1.00 0.00 C ATOM 909 O ARG A 55 1.791 -1.733 -8.428 1.00 0.00 O ATOM 910 CB ARG A 55 2.780 -4.525 -8.742 1.00 0.00 C ATOM 911 CG ARG A 55 2.643 -6.023 -8.960 1.00 0.00 C ATOM 912 CD ARG A 55 3.655 -6.799 -8.135 1.00 0.00 C ATOM 913 NE ARG A 55 3.765 -8.191 -8.567 1.00 0.00 N ATOM 914 CZ ARG A 55 4.315 -9.154 -7.832 1.00 0.00 C ATOM 915 NH1 ARG A 55 4.809 -8.883 -6.631 1.00 0.00 N ATOM 916 NH2 ARG A 55 4.372 -10.393 -8.300 1.00 0.00 N ATOM 0 H ARG A 55 3.520 -4.435 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 55 1.007 -3.911 -9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.838 -4.264 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.377 -4.271 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.635 -6.340 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.781 -6.252 -10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.630 -6.318 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.366 -6.768 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 55 3.399 -8.439 -9.486 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.769 -7.932 -6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.229 -9.626 -6.073 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.994 -10.607 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.794 -11.132 -7.737 1.00 0.00 H new ATOM 930 N LEU A 56 2.879 -1.450 -10.375 1.00 0.00 N ATOM 931 CA LEU A 56 3.100 -0.022 -10.170 1.00 0.00 C ATOM 932 C LEU A 56 1.792 0.711 -9.861 1.00 0.00 C ATOM 933 O LEU A 56 1.662 1.339 -8.810 1.00 0.00 O ATOM 934 CB LEU A 56 3.762 0.600 -11.401 1.00 0.00 C ATOM 935 CG LEU A 56 5.275 0.396 -11.492 1.00 0.00 C ATOM 936 CD1 LEU A 56 5.795 0.856 -12.846 1.00 0.00 C ATOM 937 CD2 LEU A 56 5.980 1.138 -10.368 1.00 0.00 C ATOM 0 H LEU A 56 3.256 -1.813 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 56 3.762 0.086 -9.311 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.299 0.181 -12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.554 1.670 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 56 5.487 -0.668 -11.387 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.873 0.703 -12.893 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.312 0.280 -13.636 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.572 1.914 -12.981 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.056 0.982 -10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.761 2.203 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.629 0.761 -9.407 1.00 0.00 H new ATOM 949 N PRO A 57 0.803 0.647 -10.772 1.00 0.00 N ATOM 950 CA PRO A 57 -0.490 1.313 -10.586 1.00 0.00 C ATOM 951 C PRO A 57 -1.100 1.036 -9.214 1.00 0.00 C ATOM 952 O PRO A 57 -1.902 1.825 -8.712 1.00 0.00 O ATOM 953 CB PRO A 57 -1.376 0.726 -11.699 1.00 0.00 C ATOM 954 CG PRO A 57 -0.588 -0.390 -12.304 1.00 0.00 C ATOM 955 CD PRO A 57 0.856 -0.069 -12.053 1.00 0.00 C ATOM 0 HA PRO A 57 -0.390 2.397 -10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.321 0.363 -11.295 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.618 1.483 -12.445 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.858 -1.345 -11.854 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.788 -0.473 -13.372 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.467 -0.969 -11.990 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.279 0.548 -12.846 1.00 0.00 H new ATOM 963 N LEU A 58 -0.717 -0.085 -8.610 1.00 0.00 N ATOM 964 CA LEU A 58 -1.230 -0.458 -7.296 1.00 0.00 C ATOM 965 C LEU A 58 -0.967 0.643 -6.272 1.00 0.00 C ATOM 966 O LEU A 58 -1.804 0.917 -5.413 1.00 0.00 O ATOM 967 CB LEU A 58 -0.592 -1.768 -6.830 1.00 0.00 C ATOM 968 CG LEU A 58 -1.393 -2.542 -5.781 1.00 0.00 C ATOM 969 CD1 LEU A 58 -1.201 -4.040 -5.963 1.00 0.00 C ATOM 970 CD2 LEU A 58 -0.983 -2.117 -4.380 1.00 0.00 C ATOM 0 H LEU A 58 -0.054 -0.750 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.308 -0.596 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.443 -2.410 -7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.395 -1.549 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.450 -2.313 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.778 -4.575 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.543 -4.333 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.145 -4.287 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.562 -2.677 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.078 -2.318 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.171 -1.051 -4.254 1.00 0.00 H new ATOM 982 N PHE A 59 0.202 1.271 -6.372 1.00 0.00 N ATOM 983 CA PHE A 59 0.581 2.345 -5.454 1.00 0.00 C ATOM 984 C PHE A 59 -0.514 3.406 -5.366 1.00 0.00 C ATOM 985 O PHE A 59 -0.690 4.048 -4.329 1.00 0.00 O ATOM 986 CB PHE A 59 1.890 2.993 -5.908 1.00 0.00 C ATOM 987 CG PHE A 59 3.119 2.242 -5.477 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.408 2.074 -4.132 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.985 1.708 -6.417 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.539 1.386 -3.735 1.00 0.00 C ATOM 991 CE2 PHE A 59 5.117 1.020 -6.026 1.00 0.00 C ATOM 992 CZ PHE A 59 5.394 0.858 -4.682 1.00 0.00 C ATOM 0 H PHE A 59 0.904 1.055 -7.080 1.00 0.00 H new ATOM 0 HA PHE A 59 0.718 1.907 -4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.887 3.073 -6.995 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.938 4.008 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.743 2.485 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.772 1.831 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.754 1.261 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.784 0.609 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.278 0.319 -4.373 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.246 3.584 -6.462 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.322 4.568 -6.514 1.00 0.00 C ATOM 1004 C ASP A 60 -3.310 4.364 -5.373 1.00 0.00 C ATOM 1005 O ASP A 60 -3.665 5.305 -4.671 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.050 4.485 -7.856 1.00 0.00 C ATOM 1007 CG ASP A 60 -2.207 5.000 -9.006 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -2.151 6.234 -9.196 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -1.603 4.170 -9.717 1.00 0.00 O ATOM 0 H ASP A 60 -1.113 3.059 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.878 5.558 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.330 3.450 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.974 5.060 -7.801 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.751 3.127 -5.202 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.702 2.785 -4.146 1.00 0.00 C ATOM 1016 C ALA A 61 -4.055 2.812 -2.760 1.00 0.00 C ATOM 1017 O ALA A 61 -4.750 2.874 -1.747 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.308 1.418 -4.417 1.00 0.00 C ATOM 0 H ALA A 61 -3.466 2.338 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.488 3.540 -4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.016 1.170 -3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.826 1.433 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.517 0.668 -4.444 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.726 2.741 -2.718 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.999 2.732 -1.449 1.00 0.00 C ATOM 1026 C ILE A 62 -1.964 4.109 -0.785 1.00 0.00 C ATOM 1027 O ILE A 62 -2.136 4.222 0.426 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.554 2.227 -1.636 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.555 0.896 -2.393 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.138 2.080 -0.287 1.00 0.00 C ATOM 1031 CD1 ILE A 62 0.818 0.270 -2.523 1.00 0.00 C ATOM 0 H ILE A 62 -2.132 2.689 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.544 2.050 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 62 0.000 2.959 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.216 0.197 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.968 1.055 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.157 1.723 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.163 3.047 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.410 1.365 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.739 -0.669 -3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.478 0.950 -3.062 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.226 0.079 -1.531 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.720 5.149 -1.570 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.646 6.509 -1.022 1.00 0.00 C ATOM 1045 C ARG A 63 -2.935 6.907 -0.290 1.00 0.00 C ATOM 1046 O ARG A 63 -2.885 7.374 0.848 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.321 7.556 -2.107 1.00 0.00 C ATOM 1048 CG ARG A 63 -1.393 7.047 -3.541 1.00 0.00 C ATOM 1049 CD ARG A 63 -1.796 8.153 -4.505 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.781 8.385 -5.529 1.00 0.00 N ATOM 1051 CZ ARG A 63 -0.884 9.313 -6.477 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -1.954 10.097 -6.534 1.00 0.00 N ATOM 1053 NH2 ARG A 63 0.085 9.457 -7.370 1.00 0.00 N ATOM 0 H ARG A 63 -1.571 5.086 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.829 6.495 -0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.011 8.393 -2.000 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.319 7.944 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.424 6.643 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.111 6.229 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.740 7.891 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.966 9.075 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 63 0.056 7.802 -5.517 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.702 9.990 -5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.028 10.807 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.909 8.857 -7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.007 10.168 -8.097 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.106 6.755 -0.938 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.400 7.126 -0.354 1.00 0.00 C ATOM 1069 C PRO A 64 -5.528 6.812 1.139 1.00 0.00 C ATOM 1070 O PRO A 64 -5.862 7.691 1.932 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.375 6.276 -1.161 1.00 0.00 C ATOM 1072 CG PRO A 64 -5.759 6.191 -2.514 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.265 6.235 -2.309 1.00 0.00 C ATOM 0 HA PRO A 64 -5.568 8.202 -0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.501 5.288 -0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.363 6.735 -1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.054 5.270 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.089 7.018 -3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.819 5.246 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.781 6.883 -3.040 1.00 0.00 H new ATOM 1081 N LEU A 65 -5.271 5.565 1.520 1.00 0.00 N ATOM 1082 CA LEU A 65 -5.372 5.170 2.924 1.00 0.00 C ATOM 1083 C LEU A 65 -4.310 5.866 3.770 1.00 0.00 C ATOM 1084 O LEU A 65 -4.510 6.102 4.961 1.00 0.00 O ATOM 1085 CB LEU A 65 -5.261 3.651 3.078 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.163 2.989 2.245 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -3.356 2.018 3.093 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -4.766 2.273 1.043 1.00 0.00 C ATOM 0 H LEU A 65 -4.994 4.816 0.885 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.353 5.482 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.086 3.421 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.218 3.204 2.809 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.491 3.767 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.580 1.558 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.894 2.555 3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.015 1.244 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.971 1.807 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.461 1.507 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.298 2.992 0.420 1.00 0.00 H new ATOM 1100 N ILE A 66 -3.181 6.188 3.148 1.00 0.00 N ATOM 1101 CA ILE A 66 -2.087 6.852 3.847 1.00 0.00 C ATOM 1102 C ILE A 66 -2.456 8.294 4.203 1.00 0.00 C ATOM 1103 O ILE A 66 -3.254 8.928 3.513 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.783 6.815 3.006 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.382 6.294 3.851 1.00 0.00 C ATOM 1106 CG2 ILE A 66 -0.449 8.185 2.423 1.00 0.00 C ATOM 1107 CD1 ILE A 66 0.879 4.931 3.418 1.00 0.00 C ATOM 0 H ILE A 66 -3.000 6.000 2.162 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.909 6.308 4.774 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.947 6.133 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.206 7.006 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.070 6.244 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.470 8.118 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.264 8.514 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.315 8.902 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.705 4.624 4.060 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.069 4.206 3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.222 4.980 2.385 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.878 8.831 5.293 1.00 0.00 N ATOM 1120 CA PRO A 67 -2.150 10.202 5.744 1.00 0.00 C ATOM 1121 C PRO A 67 -2.021 11.226 4.620 1.00 0.00 C ATOM 1122 O PRO A 67 -1.348 10.985 3.618 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.082 10.439 6.812 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.779 9.082 7.343 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.917 8.142 6.176 1.00 0.00 C ATOM 0 HA PRO A 67 -3.171 10.315 6.108 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.194 10.907 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.446 11.101 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.227 9.042 7.760 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.467 8.813 8.144 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.039 7.976 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.287 7.165 6.488 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.678 12.371 4.794 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.643 13.440 3.792 1.00 0.00 C ATOM 1135 C LEU A 68 -1.206 13.782 3.404 1.00 0.00 C ATOM 1136 O LEU A 68 -0.748 13.434 2.316 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.355 14.711 4.290 1.00 0.00 C ATOM 1138 CG LEU A 68 -4.221 14.558 5.545 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -3.359 14.607 6.799 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -5.287 15.642 5.586 1.00 0.00 C ATOM 0 H LEU A 68 -3.241 12.584 5.617 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.172 13.067 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.599 15.471 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.985 15.088 3.484 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.716 13.587 5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.992 14.497 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.631 13.797 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.837 15.563 6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.895 15.521 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.809 16.622 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.922 15.561 4.704 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.500 14.464 4.302 1.00 0.00 N ATOM 1153 CA LYS A 69 0.885 14.854 4.054 1.00 0.00 C ATOM 1154 C LYS A 69 1.709 13.663 3.574 1.00 0.00 C ATOM 1155 O LYS A 69 2.658 13.819 2.804 1.00 0.00 O ATOM 1156 CB LYS A 69 1.507 15.441 5.324 1.00 0.00 C ATOM 1157 CG LYS A 69 1.558 14.462 6.486 1.00 0.00 C ATOM 1158 CD LYS A 69 0.837 15.006 7.710 1.00 0.00 C ATOM 1159 CE LYS A 69 1.776 15.801 8.602 1.00 0.00 C ATOM 1160 NZ LYS A 69 1.882 17.223 8.173 1.00 0.00 N ATOM 0 H LYS A 69 -0.864 14.758 5.208 1.00 0.00 H new ATOM 0 HA LYS A 69 0.888 15.613 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.519 15.779 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.937 16.320 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.105 13.517 6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.597 14.251 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.009 15.641 7.394 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.407 14.180 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.421 15.758 9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.765 15.343 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.532 17.730 8.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.245 17.266 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.943 17.668 8.212 1.00 0.00 H new ATOM 1174 N HIS A 70 1.333 12.474 4.032 1.00 0.00 N ATOM 1175 CA HIS A 70 2.034 11.256 3.648 1.00 0.00 C ATOM 1176 C HIS A 70 1.832 10.965 2.166 1.00 0.00 C ATOM 1177 O HIS A 70 2.739 10.482 1.490 1.00 0.00 O ATOM 1178 CB HIS A 70 1.545 10.075 4.487 1.00 0.00 C ATOM 1179 CG HIS A 70 2.118 10.049 5.869 1.00 0.00 C ATOM 1180 ND1 HIS A 70 2.261 8.891 6.602 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.585 11.049 6.654 1.00 0.00 C ATOM 1182 CE1 HIS A 70 2.790 9.179 7.779 1.00 0.00 C ATOM 1183 NE2 HIS A 70 2.996 10.482 7.834 1.00 0.00 N ATOM 0 H HIS A 70 0.549 12.329 4.668 1.00 0.00 H new ATOM 0 HA HIS A 70 3.099 11.401 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.458 10.112 4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.802 9.146 3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.626 12.098 6.399 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.015 8.470 8.562 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.396 10.986 8.626 1.00 0.00 H new ATOM 1192 N GLN A 71 0.637 11.265 1.664 1.00 0.00 N ATOM 1193 CA GLN A 71 0.320 11.039 0.259 1.00 0.00 C ATOM 1194 C GLN A 71 1.259 11.834 -0.639 1.00 0.00 C ATOM 1195 O GLN A 71 1.880 11.288 -1.552 1.00 0.00 O ATOM 1196 CB GLN A 71 -1.130 11.438 -0.029 1.00 0.00 C ATOM 1197 CG GLN A 71 -2.154 10.460 0.522 1.00 0.00 C ATOM 1198 CD GLN A 71 -3.580 10.896 0.252 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -4.283 11.357 1.153 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -4.016 10.753 -0.994 1.00 0.00 N ATOM 0 H GLN A 71 -0.126 11.665 2.210 1.00 0.00 H new ATOM 0 HA GLN A 71 0.448 9.977 0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.317 12.424 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.266 11.524 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.988 9.478 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.008 10.354 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.399 10.367 -1.709 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.967 11.030 -1.236 1.00 0.00 H new ATOM 1209 N VAL A 72 1.358 13.128 -0.366 1.00 0.00 N ATOM 1210 CA VAL A 72 2.219 14.013 -1.141 1.00 0.00 C ATOM 1211 C VAL A 72 3.664 13.525 -1.126 1.00 0.00 C ATOM 1212 O VAL A 72 4.307 13.430 -2.172 1.00 0.00 O ATOM 1213 CB VAL A 72 2.172 15.456 -0.603 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.911 16.399 -1.539 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.731 15.905 -0.411 1.00 0.00 C ATOM 0 H VAL A 72 0.851 13.590 0.389 1.00 0.00 H new ATOM 0 HA VAL A 72 1.844 14.002 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 72 2.670 15.481 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.867 17.413 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.952 16.087 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.444 16.374 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.716 16.926 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.207 15.866 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.236 15.245 0.301 1.00 0.00 H new ATOM 1225 N GLU A 73 4.170 13.213 0.064 1.00 0.00 N ATOM 1226 CA GLU A 73 5.540 12.734 0.204 1.00 0.00 C ATOM 1227 C GLU A 73 5.708 11.377 -0.465 1.00 0.00 C ATOM 1228 O GLU A 73 6.733 11.109 -1.093 1.00 0.00 O ATOM 1229 CB GLU A 73 5.929 12.646 1.681 1.00 0.00 C ATOM 1230 CG GLU A 73 7.394 12.953 1.944 1.00 0.00 C ATOM 1231 CD GLU A 73 7.604 13.743 3.220 1.00 0.00 C ATOM 1232 OE1 GLU A 73 6.827 14.689 3.468 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.547 13.417 3.972 1.00 0.00 O ATOM 0 H GLU A 73 3.654 13.283 0.941 1.00 0.00 H new ATOM 0 HA GLU A 73 6.200 13.447 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.313 13.340 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.705 11.644 2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.952 12.019 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.801 13.514 1.103 1.00 0.00 H new ATOM 1240 N TYR A 74 4.695 10.525 -0.341 1.00 0.00 N ATOM 1241 CA TYR A 74 4.741 9.205 -0.955 1.00 0.00 C ATOM 1242 C TYR A 74 5.044 9.339 -2.440 1.00 0.00 C ATOM 1243 O TYR A 74 5.827 8.574 -3.003 1.00 0.00 O ATOM 1244 CB TYR A 74 3.414 8.470 -0.752 1.00 0.00 C ATOM 1245 CG TYR A 74 3.515 6.973 -0.937 1.00 0.00 C ATOM 1246 CD1 TYR A 74 4.167 6.181 0.000 1.00 0.00 C ATOM 1247 CD2 TYR A 74 2.958 6.352 -2.049 1.00 0.00 C ATOM 1248 CE1 TYR A 74 4.261 4.813 -0.166 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.048 4.983 -2.220 1.00 0.00 C ATOM 1250 CZ TYR A 74 3.701 4.218 -1.277 1.00 0.00 C ATOM 1251 OH TYR A 74 3.793 2.856 -1.446 1.00 0.00 O ATOM 0 H TYR A 74 3.838 10.724 0.176 1.00 0.00 H new ATOM 0 HA TYR A 74 5.531 8.624 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.043 8.679 0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.679 8.865 -1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.607 6.642 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.447 6.948 -2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.771 4.211 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.609 4.515 -3.088 1.00 0.00 H new ATOM 0 HH TYR A 74 4.036 2.657 -2.374 1.00 0.00 H new ATOM 1261 N ASP A 75 4.425 10.335 -3.061 1.00 0.00 N ATOM 1262 CA ASP A 75 4.630 10.603 -4.476 1.00 0.00 C ATOM 1263 C ASP A 75 6.011 11.210 -4.711 1.00 0.00 C ATOM 1264 O ASP A 75 6.638 10.968 -5.743 1.00 0.00 O ATOM 1265 CB ASP A 75 3.547 11.549 -5.000 1.00 0.00 C ATOM 1266 CG ASP A 75 2.225 10.844 -5.229 1.00 0.00 C ATOM 1267 OD1 ASP A 75 2.221 9.791 -5.901 1.00 0.00 O ATOM 1268 OD2 ASP A 75 1.193 11.347 -4.735 1.00 0.00 O ATOM 0 H ASP A 75 3.774 10.973 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 75 4.566 9.659 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.403 12.362 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.882 11.999 -5.935 1.00 0.00 H new ATOM 1273 N GLN A 76 6.478 12.003 -3.748 1.00 0.00 N ATOM 1274 CA GLN A 76 7.782 12.645 -3.853 1.00 0.00 C ATOM 1275 C GLN A 76 8.908 11.614 -3.838 1.00 0.00 C ATOM 1276 O GLN A 76 9.980 11.847 -4.398 1.00 0.00 O ATOM 1277 CB GLN A 76 7.976 13.641 -2.707 1.00 0.00 C ATOM 1278 CG GLN A 76 7.336 14.996 -2.965 1.00 0.00 C ATOM 1279 CD GLN A 76 8.337 16.134 -2.914 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.083 16.363 -3.867 1.00 0.00 O ATOM 1281 NE2 GLN A 76 8.361 16.852 -1.797 1.00 0.00 N ATOM 0 H GLN A 76 5.972 12.215 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 76 7.817 13.177 -4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.557 13.218 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.043 13.779 -2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.853 14.985 -3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.555 15.171 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.725 16.627 -1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.016 17.629 -1.704 1.00 0.00 H new ATOM 1290 N LEU A 77 8.661 10.480 -3.192 1.00 0.00 N ATOM 1291 CA LEU A 77 9.659 9.419 -3.100 1.00 0.00 C ATOM 1292 C LEU A 77 9.509 8.423 -4.245 1.00 0.00 C ATOM 1293 O LEU A 77 10.499 7.959 -4.809 1.00 0.00 O ATOM 1294 CB LEU A 77 9.539 8.695 -1.759 1.00 0.00 C ATOM 1295 CG LEU A 77 9.663 9.590 -0.526 1.00 0.00 C ATOM 1296 CD1 LEU A 77 8.777 9.077 0.598 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.112 9.672 -0.069 1.00 0.00 C ATOM 0 H LEU A 77 7.779 10.271 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 77 10.645 9.877 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.576 8.185 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.309 7.925 -1.709 1.00 0.00 H new ATOM 0 HG LEU A 77 9.330 10.593 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.879 9.727 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.738 9.072 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.078 8.064 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.181 10.313 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.472 8.674 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.723 10.088 -0.870 1.00 0.00 H new ATOM 1309 N THR A 78 8.268 8.098 -4.578 1.00 0.00 N ATOM 1310 CA THR A 78 7.986 7.152 -5.652 1.00 0.00 C ATOM 1311 C THR A 78 8.265 7.776 -7.020 1.00 0.00 C ATOM 1312 O THR A 78 7.686 8.806 -7.369 1.00 0.00 O ATOM 1313 CB THR A 78 6.532 6.687 -5.579 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.651 7.795 -5.556 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.235 5.840 -4.361 1.00 0.00 C ATOM 0 H THR A 78 7.438 8.475 -4.120 1.00 0.00 H new ATOM 0 HA THR A 78 8.644 6.292 -5.526 1.00 0.00 H new ATOM 0 HB THR A 78 6.379 6.079 -6.471 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.528 8.096 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.186 5.544 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.864 4.950 -4.375 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.441 6.416 -3.459 1.00 0.00 H new