USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 450 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 51 GLN : amide:sc= 0.352 K(o=1,f=0.5) USER MOD Set 1.2: A 69 ASN : amide:sc= 0.644 K(o=1,f=0.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 31 GLN : amide:sc= 0.211 X(o=0.21,f=-0.024) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 30:sc= -0.295 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.14) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -93:sc= 0.503 USER MOD Single : A 62 ASN : amide:sc= -0.0495 K(o=-0.05,f=-0.56) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.835 K(o=0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 7.527 2.381 -1.157 1.00 0.00 N ATOM 109 CA ILE A 21 6.102 2.255 -1.429 1.00 0.00 C ATOM 110 C ILE A 21 5.353 2.095 -0.103 1.00 0.00 C ATOM 111 O ILE A 21 4.495 2.912 0.211 1.00 0.00 O ATOM 112 CB ILE A 21 5.865 1.076 -2.394 1.00 0.00 C ATOM 113 CG1 ILE A 21 6.477 1.361 -3.788 1.00 0.00 C ATOM 114 CG2 ILE A 21 4.367 0.766 -2.538 1.00 0.00 C ATOM 115 CD1 ILE A 21 6.669 0.107 -4.653 1.00 0.00 C ATOM 0 HA ILE A 21 5.718 3.151 -1.917 1.00 0.00 H new ATOM 0 HB ILE A 21 6.362 0.206 -1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.833 2.062 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.442 1.851 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.233 -0.070 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.954 0.505 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.850 1.643 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.102 0.390 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.338 -0.587 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.704 -0.373 -4.817 1.00 0.00 H new ATOM 127 N LEU A 22 5.639 1.047 0.681 1.00 0.00 N ATOM 128 CA LEU A 22 4.937 0.690 1.904 1.00 0.00 C ATOM 129 C LEU A 22 4.859 1.831 2.905 1.00 0.00 C ATOM 130 O LEU A 22 3.863 1.937 3.622 1.00 0.00 O ATOM 131 CB LEU A 22 5.609 -0.541 2.530 1.00 0.00 C ATOM 132 CG LEU A 22 4.869 -1.824 2.141 1.00 0.00 C ATOM 133 CD1 LEU A 22 4.752 -2.113 0.640 1.00 0.00 C ATOM 134 CD2 LEU A 22 5.504 -3.029 2.842 1.00 0.00 C ATOM 0 H LEU A 22 6.399 0.403 0.464 1.00 0.00 H new ATOM 0 HA LEU A 22 3.906 0.459 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.646 -0.601 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.624 -0.440 3.615 1.00 0.00 H new ATOM 0 HG LEU A 22 3.845 -1.653 2.474 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.209 -3.046 0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.215 -1.299 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.749 -2.200 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.971 -3.937 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.549 -3.114 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.444 -2.895 3.922 1.00 0.00 H new ATOM 146 N SER A 23 5.856 2.708 2.928 1.00 0.00 N ATOM 147 CA SER A 23 5.846 3.898 3.739 1.00 0.00 C ATOM 148 C SER A 23 4.632 4.774 3.403 1.00 0.00 C ATOM 149 O SER A 23 3.958 5.274 4.300 1.00 0.00 O ATOM 150 CB SER A 23 7.167 4.597 3.463 1.00 0.00 C ATOM 151 OG SER A 23 8.256 3.840 3.958 1.00 0.00 O ATOM 0 H SER A 23 6.704 2.601 2.371 1.00 0.00 H new ATOM 0 HA SER A 23 5.752 3.673 4.801 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.284 4.750 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.164 5.583 3.927 1.00 0.00 H new ATOM 0 HG SER A 23 9.095 4.310 3.767 1.00 0.00 H new ATOM 157 N GLY A 24 4.298 4.899 2.118 1.00 0.00 N ATOM 158 CA GLY A 24 3.067 5.520 1.679 1.00 0.00 C ATOM 159 C GLY A 24 1.844 4.639 1.938 1.00 0.00 C ATOM 160 O GLY A 24 0.802 5.179 2.300 1.00 0.00 O ATOM 0 H GLY A 24 4.885 4.566 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.940 6.473 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.134 5.740 0.613 1.00 0.00 H new ATOM 164 N ILE A 25 1.918 3.312 1.764 1.00 0.00 N ATOM 165 CA ILE A 25 0.763 2.414 1.936 1.00 0.00 C ATOM 166 C ILE A 25 0.203 2.553 3.350 1.00 0.00 C ATOM 167 O ILE A 25 -1.013 2.617 3.503 1.00 0.00 O ATOM 168 CB ILE A 25 1.099 0.932 1.624 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.750 0.737 0.241 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.127 -0.008 1.720 1.00 0.00 C ATOM 171 CD1 ILE A 25 0.896 1.162 -0.946 1.00 0.00 C ATOM 0 H ILE A 25 2.777 2.830 1.501 1.00 0.00 H new ATOM 0 HA ILE A 25 0.007 2.718 1.211 1.00 0.00 H new ATOM 0 HB ILE A 25 1.816 0.661 2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.684 1.298 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.007 -0.316 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.178 -1.029 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.536 0.030 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.888 0.312 1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.444 0.984 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.028 0.584 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.659 2.223 -0.863 1.00 0.00 H new ATOM 183 N GLU A 26 1.061 2.635 4.366 1.00 0.00 N ATOM 184 CA GLU A 26 0.647 2.832 5.749 1.00 0.00 C ATOM 185 C GLU A 26 -0.216 4.097 5.858 1.00 0.00 C ATOM 186 O GLU A 26 -1.385 4.045 6.255 1.00 0.00 O ATOM 187 CB GLU A 26 1.905 2.902 6.623 1.00 0.00 C ATOM 188 CG GLU A 26 1.594 2.962 8.122 1.00 0.00 C ATOM 189 CD GLU A 26 2.787 3.531 8.886 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.694 2.741 9.241 1.00 0.00 O ATOM 191 OE2 GLU A 26 2.818 4.767 9.096 1.00 0.00 O ATOM 0 H GLU A 26 2.072 2.566 4.248 1.00 0.00 H new ATOM 0 HA GLU A 26 0.033 2.001 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.528 2.031 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.486 3.781 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.714 3.582 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.358 1.964 8.492 1.00 0.00 H new ATOM 198 N GLU A 27 0.350 5.219 5.413 1.00 0.00 N ATOM 199 CA GLU A 27 -0.256 6.540 5.469 1.00 0.00 C ATOM 200 C GLU A 27 -1.413 6.683 4.451 1.00 0.00 C ATOM 201 O GLU A 27 -2.093 7.718 4.425 1.00 0.00 O ATOM 202 CB GLU A 27 0.863 7.575 5.241 1.00 0.00 C ATOM 203 CG GLU A 27 0.605 8.956 5.871 1.00 0.00 C ATOM 204 CD GLU A 27 0.800 9.042 7.390 1.00 0.00 C ATOM 205 OE1 GLU A 27 1.619 8.297 7.967 1.00 0.00 O ATOM 206 OE2 GLU A 27 0.191 9.939 8.022 1.00 0.00 O ATOM 0 H GLU A 27 1.278 5.228 4.989 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.713 6.707 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.794 7.176 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.008 7.702 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.267 9.680 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.416 9.256 5.637 1.00 0.00 H new ATOM 213 N THR A 28 -1.661 5.666 3.617 1.00 0.00 N ATOM 214 CA THR A 28 -2.838 5.514 2.780 1.00 0.00 C ATOM 215 C THR A 28 -3.892 4.741 3.573 1.00 0.00 C ATOM 216 O THR A 28 -5.019 5.206 3.672 1.00 0.00 O ATOM 217 CB THR A 28 -2.479 4.790 1.469 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.360 5.394 0.855 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.626 4.787 0.455 1.00 0.00 C ATOM 0 H THR A 28 -1.007 4.891 3.509 1.00 0.00 H new ATOM 0 HA THR A 28 -3.235 6.491 2.506 1.00 0.00 H new ATOM 0 HB THR A 28 -2.261 3.760 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.540 5.092 1.299 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.312 4.263 -0.448 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.491 4.283 0.886 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.892 5.814 0.204 1.00 0.00 H new ATOM 227 N PHE A 29 -3.578 3.575 4.145 1.00 0.00 N ATOM 228 CA PHE A 29 -4.501 2.750 4.916 1.00 0.00 C ATOM 229 C PHE A 29 -5.179 3.590 6.001 1.00 0.00 C ATOM 230 O PHE A 29 -6.409 3.608 6.077 1.00 0.00 O ATOM 231 CB PHE A 29 -3.760 1.524 5.475 1.00 0.00 C ATOM 232 CG PHE A 29 -3.759 0.284 4.586 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.304 0.324 3.253 1.00 0.00 C ATOM 234 CD2 PHE A 29 -4.198 -0.945 5.114 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.282 -0.849 2.475 1.00 0.00 C ATOM 236 CE2 PHE A 29 -4.200 -2.112 4.330 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.744 -2.063 3.004 1.00 0.00 C ATOM 0 H PHE A 29 -2.644 3.170 4.080 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.296 2.374 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.726 1.807 5.672 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.206 1.260 6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.971 1.259 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.539 -0.992 6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.906 -0.814 1.463 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.552 -3.044 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.749 -2.955 2.394 1.00 0.00 H new ATOM 247 N ALA A 30 -4.404 4.346 6.782 1.00 0.00 N ATOM 248 CA ALA A 30 -4.948 5.176 7.852 1.00 0.00 C ATOM 249 C ALA A 30 -5.899 6.282 7.365 1.00 0.00 C ATOM 250 O ALA A 30 -6.816 6.659 8.095 1.00 0.00 O ATOM 251 CB ALA A 30 -3.796 5.773 8.650 1.00 0.00 C ATOM 0 H ALA A 30 -3.390 4.398 6.690 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.558 4.528 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.193 6.395 9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.195 4.970 9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.175 6.381 7.993 1.00 0.00 H new ATOM 257 N GLN A 31 -5.759 6.763 6.125 1.00 0.00 N ATOM 258 CA GLN A 31 -6.666 7.753 5.527 1.00 0.00 C ATOM 259 C GLN A 31 -8.058 7.190 5.236 1.00 0.00 C ATOM 260 O GLN A 31 -8.974 7.931 4.880 1.00 0.00 O ATOM 261 CB GLN A 31 -6.047 8.298 4.228 1.00 0.00 C ATOM 262 CG GLN A 31 -5.687 9.770 4.446 1.00 0.00 C ATOM 263 CD GLN A 31 -4.838 10.404 3.357 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.300 11.312 2.667 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.576 10.020 3.244 1.00 0.00 N ATOM 0 H GLN A 31 -5.006 6.474 5.501 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.793 8.552 6.257 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.158 7.725 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.750 8.198 3.401 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.610 10.341 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.157 9.860 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.219 9.264 3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.961 10.480 2.572 1.00 0.00 H new ATOM 274 N PHE A 32 -8.211 5.880 5.371 1.00 0.00 N ATOM 275 CA PHE A 32 -9.444 5.146 5.197 1.00 0.00 C ATOM 276 C PHE A 32 -9.730 4.306 6.458 1.00 0.00 C ATOM 277 O PHE A 32 -10.605 3.445 6.424 1.00 0.00 O ATOM 278 CB PHE A 32 -9.311 4.308 3.918 1.00 0.00 C ATOM 279 CG PHE A 32 -9.206 5.071 2.606 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.958 5.497 2.115 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.350 5.270 1.814 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.852 6.081 0.845 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.239 5.817 0.523 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.988 6.227 0.036 1.00 0.00 C ATOM 0 H PHE A 32 -7.430 5.272 5.619 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.301 5.809 5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.428 3.677 4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.173 3.643 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.074 5.373 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.322 5.001 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.891 6.420 0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.118 5.922 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.901 6.651 -0.953 1.00 0.00 H new ATOM 294 N SER A 33 -9.011 4.539 7.569 1.00 0.00 N ATOM 295 CA SER A 33 -9.147 3.821 8.845 1.00 0.00 C ATOM 296 C SER A 33 -8.806 2.324 8.746 1.00 0.00 C ATOM 297 O SER A 33 -9.211 1.522 9.597 1.00 0.00 O ATOM 298 CB SER A 33 -10.553 4.050 9.433 1.00 0.00 C ATOM 299 OG SER A 33 -10.486 4.716 10.679 1.00 0.00 O ATOM 0 H SER A 33 -8.291 5.261 7.603 1.00 0.00 H new ATOM 0 HA SER A 33 -8.406 4.237 9.527 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.150 4.638 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.058 3.092 9.557 1.00 0.00 H new ATOM 0 HG SER A 33 -11.392 4.850 11.028 1.00 0.00 H new ATOM 305 N ILE A 34 -8.099 1.916 7.694 1.00 0.00 N ATOM 306 CA ILE A 34 -7.914 0.503 7.402 1.00 0.00 C ATOM 307 C ILE A 34 -6.797 0.002 8.321 1.00 0.00 C ATOM 308 O ILE A 34 -5.759 0.670 8.414 1.00 0.00 O ATOM 309 CB ILE A 34 -7.560 0.287 5.916 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.618 0.906 4.982 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.447 -1.212 5.584 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.226 0.826 3.503 1.00 0.00 C ATOM 0 H ILE A 34 -7.646 2.546 7.032 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.834 -0.054 7.581 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.601 0.779 5.755 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.569 0.394 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.772 1.950 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.197 -1.333 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.666 -1.662 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.398 -1.703 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.009 1.277 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.290 1.361 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.100 -0.218 3.216 1.00 0.00 H new ATOM 324 N PRO A 35 -6.930 -1.181 8.943 1.00 0.00 N ATOM 325 CA PRO A 35 -5.827 -1.808 9.650 1.00 0.00 C ATOM 326 C PRO A 35 -4.722 -2.147 8.652 1.00 0.00 C ATOM 327 O PRO A 35 -4.833 -3.097 7.869 1.00 0.00 O ATOM 328 CB PRO A 35 -6.409 -3.043 10.332 1.00 0.00 C ATOM 329 CG PRO A 35 -7.591 -3.413 9.437 1.00 0.00 C ATOM 330 CD PRO A 35 -8.094 -2.055 8.950 1.00 0.00 C ATOM 0 HA PRO A 35 -5.376 -1.159 10.400 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.680 -3.851 10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.728 -2.827 11.352 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.285 -4.051 8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.360 -3.954 9.988 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.530 -2.134 7.954 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.871 -1.667 9.608 1.00 0.00 H new ATOM 338 N TYR A 36 -3.659 -1.351 8.670 1.00 0.00 N ATOM 339 CA TYR A 36 -2.397 -1.716 8.054 1.00 0.00 C ATOM 340 C TYR A 36 -1.795 -2.823 8.921 1.00 0.00 C ATOM 341 O TYR A 36 -2.161 -2.963 10.094 1.00 0.00 O ATOM 342 CB TYR A 36 -1.509 -0.467 7.958 1.00 0.00 C ATOM 343 CG TYR A 36 -0.210 -0.654 7.196 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.182 -0.646 5.786 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.993 -0.799 7.911 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.046 -0.790 5.117 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.217 -0.962 7.245 1.00 0.00 C ATOM 348 CZ TYR A 36 2.246 -0.952 5.837 1.00 0.00 C ATOM 349 OH TYR A 36 3.422 -1.060 5.170 1.00 0.00 O ATOM 0 H TYR A 36 -3.652 -0.433 9.114 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.509 -2.090 7.036 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.080 0.329 7.481 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.274 -0.130 8.967 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.097 -0.530 5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.974 -0.785 8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.070 -0.776 4.037 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.129 -1.094 7.807 1.00 0.00 H new ATOM 0 HH TYR A 36 3.369 -0.559 4.330 1.00 0.00 H new ATOM 359 N ASP A 37 -0.897 -3.615 8.348 1.00 0.00 N ATOM 360 CA ASP A 37 -0.160 -4.643 9.066 1.00 0.00 C ATOM 361 C ASP A 37 1.119 -4.898 8.270 1.00 0.00 C ATOM 362 O ASP A 37 1.083 -5.594 7.256 1.00 0.00 O ATOM 363 CB ASP A 37 -0.981 -5.941 9.211 1.00 0.00 C ATOM 364 CG ASP A 37 -1.861 -6.084 10.459 1.00 0.00 C ATOM 365 OD1 ASP A 37 -1.402 -5.738 11.577 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.921 -6.748 10.359 1.00 0.00 O ATOM 0 H ASP A 37 -0.658 -3.559 7.358 1.00 0.00 H new ATOM 0 HA ASP A 37 0.062 -4.311 10.080 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.622 -6.034 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.288 -6.782 9.189 1.00 0.00 H new ATOM 371 N LYS A 38 2.251 -4.314 8.688 1.00 0.00 N ATOM 372 CA LYS A 38 3.519 -4.309 7.933 1.00 0.00 C ATOM 373 C LYS A 38 3.873 -5.689 7.359 1.00 0.00 C ATOM 374 O LYS A 38 4.263 -5.773 6.198 1.00 0.00 O ATOM 375 CB LYS A 38 4.644 -3.730 8.818 1.00 0.00 C ATOM 376 CG LYS A 38 6.065 -3.744 8.213 1.00 0.00 C ATOM 377 CD LYS A 38 6.279 -3.025 6.868 1.00 0.00 C ATOM 378 CE LYS A 38 6.114 -1.499 6.907 1.00 0.00 C ATOM 379 NZ LYS A 38 7.358 -0.716 7.135 1.00 0.00 N ATOM 0 H LYS A 38 2.315 -3.821 9.579 1.00 0.00 H new ATOM 0 HA LYS A 38 3.397 -3.664 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.388 -2.700 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.665 -4.288 9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.744 -3.301 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.366 -4.784 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.281 -3.257 6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.576 -3.432 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.673 -1.177 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.402 -1.250 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.133 0.299 7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.775 -0.985 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.037 -0.914 6.373 1.00 0.00 H new ATOM 393 N GLU A 39 3.712 -6.763 8.139 1.00 0.00 N ATOM 394 CA GLU A 39 4.062 -8.131 7.749 1.00 0.00 C ATOM 395 C GLU A 39 3.207 -8.582 6.574 1.00 0.00 C ATOM 396 O GLU A 39 3.706 -9.063 5.560 1.00 0.00 O ATOM 397 CB GLU A 39 3.794 -9.094 8.915 1.00 0.00 C ATOM 398 CG GLU A 39 4.757 -8.891 10.080 1.00 0.00 C ATOM 399 CD GLU A 39 6.008 -9.723 9.831 1.00 0.00 C ATOM 400 OE1 GLU A 39 6.878 -9.252 9.069 1.00 0.00 O ATOM 401 OE2 GLU A 39 6.062 -10.886 10.298 1.00 0.00 O ATOM 0 H GLU A 39 3.326 -6.703 9.081 1.00 0.00 H new ATOM 0 HA GLU A 39 5.117 -8.142 7.475 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.771 -8.957 9.266 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.873 -10.121 8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.017 -7.837 10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.285 -9.189 11.016 1.00 0.00 H new ATOM 408 N LYS A 40 1.895 -8.445 6.743 1.00 0.00 N ATOM 409 CA LYS A 40 0.882 -8.926 5.825 1.00 0.00 C ATOM 410 C LYS A 40 1.027 -8.212 4.499 1.00 0.00 C ATOM 411 O LYS A 40 0.924 -8.830 3.445 1.00 0.00 O ATOM 412 CB LYS A 40 -0.489 -8.665 6.430 1.00 0.00 C ATOM 413 CG LYS A 40 -0.546 -9.282 7.831 1.00 0.00 C ATOM 414 CD LYS A 40 -2.000 -9.376 8.237 1.00 0.00 C ATOM 415 CE LYS A 40 -2.148 -9.844 9.682 1.00 0.00 C ATOM 416 NZ LYS A 40 -3.462 -9.452 10.219 1.00 0.00 N ATOM 0 H LYS A 40 1.499 -7.976 7.558 1.00 0.00 H new ATOM 0 HA LYS A 40 0.999 -9.996 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.678 -7.593 6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.266 -9.095 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.085 -10.270 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.010 -8.669 8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.476 -8.402 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.520 -10.068 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.036 -10.927 9.733 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.355 -9.413 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.690 -10.043 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.436 -8.453 10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.189 -9.584 9.487 1.00 0.00 H new ATOM 430 N VAL A 41 1.282 -6.909 4.560 1.00 0.00 N ATOM 431 CA VAL A 41 1.408 -6.067 3.390 1.00 0.00 C ATOM 432 C VAL A 41 2.662 -6.481 2.623 1.00 0.00 C ATOM 433 O VAL A 41 2.594 -6.622 1.399 1.00 0.00 O ATOM 434 CB VAL A 41 1.394 -4.593 3.838 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.681 -3.633 2.678 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.019 -4.243 4.432 1.00 0.00 C ATOM 0 H VAL A 41 1.408 -6.407 5.439 1.00 0.00 H new ATOM 0 HA VAL A 41 0.572 -6.187 2.701 1.00 0.00 H new ATOM 0 HB VAL A 41 2.181 -4.477 4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.661 -2.606 3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.664 -3.851 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.923 -3.759 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.014 -3.200 4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.753 -4.398 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.180 -4.883 5.292 1.00 0.00 H new ATOM 446 N ARG A 42 3.806 -6.687 3.294 1.00 0.00 N ATOM 447 CA ARG A 42 5.013 -7.055 2.571 1.00 0.00 C ATOM 448 C ARG A 42 4.909 -8.487 2.034 1.00 0.00 C ATOM 449 O ARG A 42 5.407 -8.762 0.949 1.00 0.00 O ATOM 450 CB ARG A 42 6.248 -6.776 3.438 1.00 0.00 C ATOM 451 CG ARG A 42 6.469 -7.768 4.579 1.00 0.00 C ATOM 452 CD ARG A 42 7.880 -7.729 5.155 1.00 0.00 C ATOM 453 NE ARG A 42 8.081 -6.805 6.284 1.00 0.00 N ATOM 454 CZ ARG A 42 8.780 -5.665 6.279 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.059 -5.020 5.149 1.00 0.00 N ATOM 456 NH2 ARG A 42 9.203 -5.172 7.436 1.00 0.00 N ATOM 0 H ARG A 42 3.912 -6.606 4.305 1.00 0.00 H new ATOM 0 HA ARG A 42 5.129 -6.433 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.131 -6.777 2.799 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.160 -5.774 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.754 -7.559 5.375 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.260 -8.775 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.149 -8.734 5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.571 -7.456 4.358 1.00 0.00 H new ATOM 0 HE ARG A 42 7.639 -7.063 7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.738 -5.393 4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.594 -4.152 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.993 -5.661 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.738 -4.304 7.455 1.00 0.00 H new ATOM 470 N GLU A 43 4.231 -9.393 2.740 1.00 0.00 N ATOM 471 CA GLU A 43 3.964 -10.738 2.235 1.00 0.00 C ATOM 472 C GLU A 43 3.059 -10.670 1.000 1.00 0.00 C ATOM 473 O GLU A 43 3.317 -11.359 0.015 1.00 0.00 O ATOM 474 CB GLU A 43 3.367 -11.612 3.351 1.00 0.00 C ATOM 475 CG GLU A 43 3.018 -13.028 2.860 1.00 0.00 C ATOM 476 CD GLU A 43 3.456 -14.116 3.835 1.00 0.00 C ATOM 477 OE1 GLU A 43 4.678 -14.374 3.934 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.595 -14.800 4.427 1.00 0.00 O ATOM 0 H GLU A 43 3.854 -9.216 3.671 1.00 0.00 H new ATOM 0 HA GLU A 43 4.899 -11.204 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.077 -11.680 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.469 -11.134 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.942 -13.098 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.492 -13.200 1.894 1.00 0.00 H new ATOM 485 N PHE A 44 2.012 -9.840 1.036 1.00 0.00 N ATOM 486 CA PHE A 44 1.068 -9.701 -0.059 1.00 0.00 C ATOM 487 C PHE A 44 1.795 -9.285 -1.336 1.00 0.00 C ATOM 488 O PHE A 44 1.624 -9.932 -2.366 1.00 0.00 O ATOM 489 CB PHE A 44 -0.056 -8.721 0.313 1.00 0.00 C ATOM 490 CG PHE A 44 -1.233 -8.745 -0.644 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.073 -8.322 -1.977 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.499 -9.178 -0.205 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.147 -8.391 -2.873 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.581 -9.210 -1.103 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.395 -8.859 -2.445 1.00 0.00 C ATOM 0 H PHE A 44 1.801 -9.244 1.836 1.00 0.00 H new ATOM 0 HA PHE A 44 0.600 -10.667 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.411 -8.955 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.352 -7.711 0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.118 -7.943 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.639 -9.485 0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.012 -8.082 -3.899 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.560 -9.507 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.211 -8.949 -3.147 1.00 0.00 H new ATOM 505 N ILE A 45 2.591 -8.213 -1.317 1.00 0.00 N ATOM 506 CA ILE A 45 3.240 -7.744 -2.546 1.00 0.00 C ATOM 507 C ILE A 45 4.197 -8.812 -3.096 1.00 0.00 C ATOM 508 O ILE A 45 4.251 -8.995 -4.313 1.00 0.00 O ATOM 509 CB ILE A 45 3.921 -6.371 -2.363 1.00 0.00 C ATOM 510 CG1 ILE A 45 5.151 -6.487 -1.442 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.886 -5.338 -1.876 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.734 -5.171 -0.954 1.00 0.00 C ATOM 0 H ILE A 45 2.799 -7.663 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 45 2.463 -7.587 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 45 4.300 -6.016 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.877 -7.086 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.930 -7.034 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.371 -4.370 -1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.087 -5.249 -2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.468 -5.663 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.594 -5.369 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.048 -4.573 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.979 -4.626 -0.388 1.00 0.00 H new ATOM 524 N PHE A 46 4.875 -9.562 -2.218 1.00 0.00 N ATOM 525 CA PHE A 46 5.744 -10.680 -2.577 1.00 0.00 C ATOM 526 C PHE A 46 4.999 -11.870 -3.169 1.00 0.00 C ATOM 527 O PHE A 46 5.636 -12.790 -3.685 1.00 0.00 O ATOM 528 CB PHE A 46 6.559 -11.120 -1.355 1.00 0.00 C ATOM 529 CG PHE A 46 7.894 -10.414 -1.188 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.792 -10.325 -2.272 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.260 -9.877 0.060 1.00 0.00 C ATOM 532 CE1 PHE A 46 10.037 -9.698 -2.113 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.531 -9.294 0.233 1.00 0.00 C ATOM 534 CZ PHE A 46 10.419 -9.205 -0.854 1.00 0.00 C ATOM 0 H PHE A 46 4.830 -9.400 -1.212 1.00 0.00 H new ATOM 0 HA PHE A 46 6.407 -10.317 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.962 -10.953 -0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.738 -12.193 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.520 -10.742 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.566 -9.912 0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.701 -9.594 -2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.824 -8.915 1.201 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.393 -8.758 -0.721 1.00 0.00 H new ATOM 544 N LYS A 47 3.673 -11.880 -3.100 1.00 0.00 N ATOM 545 CA LYS A 47 2.835 -12.949 -3.611 1.00 0.00 C ATOM 546 C LYS A 47 1.997 -12.476 -4.789 1.00 0.00 C ATOM 547 O LYS A 47 1.649 -13.306 -5.631 1.00 0.00 O ATOM 548 CB LYS A 47 1.939 -13.420 -2.469 1.00 0.00 C ATOM 549 CG LYS A 47 2.665 -14.407 -1.546 1.00 0.00 C ATOM 550 CD LYS A 47 1.755 -14.847 -0.394 1.00 0.00 C ATOM 551 CE LYS A 47 0.839 -16.015 -0.785 1.00 0.00 C ATOM 552 NZ LYS A 47 1.529 -17.320 -0.678 1.00 0.00 N ATOM 0 H LYS A 47 3.140 -11.122 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 47 3.457 -13.768 -3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.605 -12.559 -1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.047 -13.894 -2.878 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.983 -15.279 -2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.566 -13.942 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.368 -15.139 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.145 -14.002 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.041 -16.016 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.487 -15.874 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.875 -18.082 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.355 -17.329 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.842 -17.468 0.303 1.00 0.00 H new ATOM 566 N TYR A 48 1.658 -11.188 -4.859 1.00 0.00 N ATOM 567 CA TYR A 48 0.727 -10.661 -5.846 1.00 0.00 C ATOM 568 C TYR A 48 1.263 -9.327 -6.391 1.00 0.00 C ATOM 569 O TYR A 48 2.084 -9.358 -7.317 1.00 0.00 O ATOM 570 CB TYR A 48 -0.654 -10.546 -5.163 1.00 0.00 C ATOM 571 CG TYR A 48 -1.122 -11.792 -4.421 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.615 -12.891 -5.138 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.003 -11.889 -3.020 1.00 0.00 C ATOM 574 CE1 TYR A 48 -1.948 -14.087 -4.476 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.348 -13.071 -2.343 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.793 -14.189 -3.077 1.00 0.00 C ATOM 577 OH TYR A 48 -2.021 -15.369 -2.437 1.00 0.00 O ATOM 0 H TYR A 48 2.027 -10.479 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 48 0.620 -11.316 -6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.624 -9.714 -4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.396 -10.295 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.740 -12.819 -6.208 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.641 -11.041 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.323 -14.929 -5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.273 -13.123 -1.267 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.865 -15.256 -1.476 1.00 0.00 H new ATOM 587 N SER A 49 0.963 -8.190 -5.746 1.00 0.00 N ATOM 588 CA SER A 49 1.366 -6.840 -6.141 1.00 0.00 C ATOM 589 C SER A 49 0.810 -5.816 -5.146 1.00 0.00 C ATOM 590 O SER A 49 0.015 -6.148 -4.261 1.00 0.00 O ATOM 591 CB SER A 49 0.859 -6.515 -7.563 1.00 0.00 C ATOM 592 OG SER A 49 -0.552 -6.422 -7.603 1.00 0.00 O ATOM 0 H SER A 49 0.405 -8.192 -4.892 1.00 0.00 H new ATOM 0 HA SER A 49 2.455 -6.791 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.296 -5.575 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.193 -7.288 -8.255 1.00 0.00 H new ATOM 0 HG SER A 49 -0.930 -7.292 -7.848 1.00 0.00 H new ATOM 598 N VAL A 50 1.204 -4.553 -5.308 1.00 0.00 N ATOM 599 CA VAL A 50 0.620 -3.405 -4.622 1.00 0.00 C ATOM 600 C VAL A 50 -0.802 -3.149 -5.114 1.00 0.00 C ATOM 601 O VAL A 50 -1.696 -2.943 -4.283 1.00 0.00 O ATOM 602 CB VAL A 50 1.546 -2.182 -4.822 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.994 -0.915 -4.158 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.962 -2.425 -4.268 1.00 0.00 C ATOM 0 H VAL A 50 1.962 -4.295 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 50 0.542 -3.604 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 50 1.592 -2.039 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.681 -0.086 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.021 -0.674 -4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.886 -1.083 -3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.574 -1.538 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.904 -2.633 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.412 -3.276 -4.780 1.00 0.00 H new ATOM 614 N GLN A 51 -1.010 -3.178 -6.434 1.00 0.00 N ATOM 615 CA GLN A 51 -2.298 -2.927 -7.048 1.00 0.00 C ATOM 616 C GLN A 51 -3.333 -3.895 -6.485 1.00 0.00 C ATOM 617 O GLN A 51 -4.396 -3.465 -6.050 1.00 0.00 O ATOM 618 CB GLN A 51 -2.159 -3.058 -8.579 1.00 0.00 C ATOM 619 CG GLN A 51 -3.117 -2.125 -9.327 1.00 0.00 C ATOM 620 CD GLN A 51 -2.768 -0.656 -9.077 1.00 0.00 C ATOM 621 OE1 GLN A 51 -1.627 -0.227 -9.247 1.00 0.00 O ATOM 622 NE2 GLN A 51 -3.716 0.130 -8.609 1.00 0.00 N ATOM 0 H GLN A 51 -0.271 -3.380 -7.108 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.638 -1.916 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.133 -2.832 -8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.354 -4.089 -8.873 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.073 -2.335 -10.396 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.141 -2.318 -9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.659 -0.234 -8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.507 1.103 -8.384 1.00 0.00 H new ATOM 631 N ASP A 52 -3.008 -5.187 -6.438 1.00 0.00 N ATOM 632 CA ASP A 52 -3.970 -6.205 -6.033 1.00 0.00 C ATOM 633 C ASP A 52 -4.367 -6.030 -4.578 1.00 0.00 C ATOM 634 O ASP A 52 -5.538 -6.208 -4.262 1.00 0.00 O ATOM 635 CB ASP A 52 -3.422 -7.625 -6.251 1.00 0.00 C ATOM 636 CG ASP A 52 -3.779 -8.174 -7.625 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.958 -8.077 -8.032 1.00 0.00 O ATOM 638 OD2 ASP A 52 -2.914 -8.745 -8.315 1.00 0.00 O ATOM 0 H ASP A 52 -2.085 -5.551 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.851 -6.077 -6.662 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.338 -7.616 -6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.819 -8.288 -5.482 1.00 0.00 H new ATOM 643 N LEU A 53 -3.445 -5.624 -3.697 1.00 0.00 N ATOM 644 CA LEU A 53 -3.752 -5.459 -2.282 1.00 0.00 C ATOM 645 C LEU A 53 -4.814 -4.388 -2.114 1.00 0.00 C ATOM 646 O LEU A 53 -5.833 -4.603 -1.465 1.00 0.00 O ATOM 647 CB LEU A 53 -2.479 -5.092 -1.504 1.00 0.00 C ATOM 648 CG LEU A 53 -2.747 -4.704 -0.035 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.320 -5.854 0.789 1.00 0.00 C ATOM 650 CD2 LEU A 53 -1.438 -4.269 0.625 1.00 0.00 C ATOM 0 H LEU A 53 -2.480 -5.405 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.135 -6.398 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.791 -5.937 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.982 -4.262 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.480 -3.897 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.487 -5.520 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.266 -6.178 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.617 -6.687 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.627 -3.995 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.723 -5.091 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.029 -3.411 0.092 1.00 0.00 H new ATOM 662 N LEU A 54 -4.541 -3.216 -2.675 1.00 0.00 N ATOM 663 CA LEU A 54 -5.381 -2.050 -2.491 1.00 0.00 C ATOM 664 C LEU A 54 -6.749 -2.273 -3.121 1.00 0.00 C ATOM 665 O LEU A 54 -7.744 -1.896 -2.505 1.00 0.00 O ATOM 666 CB LEU A 54 -4.581 -0.803 -2.872 1.00 0.00 C ATOM 667 CG LEU A 54 -4.447 -0.408 -4.338 1.00 0.00 C ATOM 668 CD1 LEU A 54 -5.823 0.058 -4.807 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.433 0.727 -4.490 1.00 0.00 C ATOM 0 H LEU A 54 -3.729 -3.052 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.650 -1.871 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.026 0.042 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.573 -0.929 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.098 -1.252 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.770 0.351 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.541 -0.754 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.142 0.911 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.347 0.999 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.767 1.592 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.462 0.399 -4.119 1.00 0.00 H new ATOM 681 N VAL A 55 -6.796 -2.952 -4.268 1.00 0.00 N ATOM 682 CA VAL A 55 -8.040 -3.409 -4.892 1.00 0.00 C ATOM 683 C VAL A 55 -8.799 -4.319 -3.926 1.00 0.00 C ATOM 684 O VAL A 55 -9.937 -4.022 -3.582 1.00 0.00 O ATOM 685 CB VAL A 55 -7.782 -4.100 -6.251 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.061 -4.742 -6.813 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.301 -3.106 -7.321 1.00 0.00 C ATOM 0 H VAL A 55 -5.961 -3.204 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.660 -2.538 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.019 -4.852 -6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.840 -5.218 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.431 -5.490 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.821 -3.974 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.132 -3.635 -8.259 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.058 -2.336 -7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.371 -2.641 -6.994 1.00 0.00 H new ATOM 697 N ARG A 56 -8.185 -5.417 -3.477 1.00 0.00 N ATOM 698 CA ARG A 56 -8.808 -6.435 -2.625 1.00 0.00 C ATOM 699 C ARG A 56 -9.479 -5.808 -1.420 1.00 0.00 C ATOM 700 O ARG A 56 -10.648 -6.060 -1.137 1.00 0.00 O ATOM 701 CB ARG A 56 -7.729 -7.423 -2.151 1.00 0.00 C ATOM 702 CG ARG A 56 -7.361 -8.405 -3.265 1.00 0.00 C ATOM 703 CD ARG A 56 -8.101 -9.717 -3.044 1.00 0.00 C ATOM 704 NE ARG A 56 -8.370 -10.461 -4.285 1.00 0.00 N ATOM 705 CZ ARG A 56 -9.254 -11.461 -4.384 1.00 0.00 C ATOM 706 NH1 ARG A 56 -9.834 -11.964 -3.297 1.00 0.00 N ATOM 707 NH2 ARG A 56 -9.580 -11.954 -5.571 1.00 0.00 N ATOM 0 H ARG A 56 -7.213 -5.629 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.570 -6.954 -3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.841 -6.875 -1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.090 -7.972 -1.281 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.623 -7.986 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.285 -8.578 -3.272 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.515 -10.346 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.046 -9.511 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.850 -10.198 -5.122 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.606 -11.587 -2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.506 -12.726 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.156 -11.571 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.254 -12.716 -5.639 1.00 0.00 H new ATOM 721 N VAL A 57 -8.720 -4.990 -0.701 1.00 0.00 N ATOM 722 CA VAL A 57 -9.216 -4.326 0.488 1.00 0.00 C ATOM 723 C VAL A 57 -10.388 -3.411 0.103 1.00 0.00 C ATOM 724 O VAL A 57 -11.411 -3.453 0.776 1.00 0.00 O ATOM 725 CB VAL A 57 -8.070 -3.551 1.160 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.525 -2.949 2.490 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.780 -4.356 1.402 1.00 0.00 C ATOM 0 H VAL A 57 -7.750 -4.772 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.585 -5.055 1.209 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.819 -2.775 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.697 -2.406 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.355 -2.265 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.848 -3.747 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.037 -3.717 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.997 -5.206 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.391 -4.715 0.449 1.00 0.00 H new ATOM 737 N ALA A 58 -10.265 -2.608 -0.963 1.00 0.00 N ATOM 738 CA ALA A 58 -11.315 -1.684 -1.406 1.00 0.00 C ATOM 739 C ALA A 58 -12.645 -2.397 -1.620 1.00 0.00 C ATOM 740 O ALA A 58 -13.678 -1.946 -1.123 1.00 0.00 O ATOM 741 CB ALA A 58 -10.913 -0.994 -2.716 1.00 0.00 C ATOM 0 H ALA A 58 -9.428 -2.582 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.435 -0.944 -0.615 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.706 -0.313 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.991 -0.432 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.756 -1.745 -3.490 1.00 0.00 H new ATOM 747 N GLU A 59 -12.569 -3.504 -2.354 1.00 0.00 N ATOM 748 CA GLU A 59 -13.658 -4.354 -2.793 1.00 0.00 C ATOM 749 C GLU A 59 -14.385 -4.933 -1.572 1.00 0.00 C ATOM 750 O GLU A 59 -15.617 -4.891 -1.487 1.00 0.00 O ATOM 751 CB GLU A 59 -13.028 -5.427 -3.695 1.00 0.00 C ATOM 752 CG GLU A 59 -13.972 -6.093 -4.693 1.00 0.00 C ATOM 753 CD GLU A 59 -13.255 -7.245 -5.392 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.074 -8.313 -4.762 1.00 0.00 O ATOM 755 OE2 GLU A 59 -12.784 -7.094 -6.546 1.00 0.00 O ATOM 0 H GLU A 59 -11.668 -3.853 -2.681 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.417 -3.814 -3.358 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.206 -4.973 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.596 -6.201 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.858 -6.463 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.312 -5.364 -5.429 1.00 0.00 H new ATOM 762 N ASP A 60 -13.626 -5.427 -0.586 1.00 0.00 N ATOM 763 CA ASP A 60 -14.194 -5.999 0.638 1.00 0.00 C ATOM 764 C ASP A 60 -14.730 -4.931 1.595 1.00 0.00 C ATOM 765 O ASP A 60 -15.584 -5.207 2.440 1.00 0.00 O ATOM 766 CB ASP A 60 -13.147 -6.836 1.382 1.00 0.00 C ATOM 767 CG ASP A 60 -13.831 -8.045 2.022 1.00 0.00 C ATOM 768 OD1 ASP A 60 -14.332 -7.957 3.164 1.00 0.00 O ATOM 769 OD2 ASP A 60 -13.852 -9.133 1.403 1.00 0.00 O ATOM 0 H ASP A 60 -12.607 -5.441 -0.615 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.027 -6.626 0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.370 -7.166 0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.658 -6.233 2.147 1.00 0.00 H new ATOM 774 N ARG A 61 -14.204 -3.715 1.487 1.00 0.00 N ATOM 775 CA ARG A 61 -14.656 -2.489 2.140 1.00 0.00 C ATOM 776 C ARG A 61 -15.748 -1.852 1.265 1.00 0.00 C ATOM 777 O ARG A 61 -16.399 -2.527 0.466 1.00 0.00 O ATOM 778 CB ARG A 61 -13.446 -1.563 2.382 1.00 0.00 C ATOM 779 CG ARG A 61 -12.360 -2.148 3.304 1.00 0.00 C ATOM 780 CD ARG A 61 -12.706 -1.950 4.774 1.00 0.00 C ATOM 781 NE ARG A 61 -11.794 -2.673 5.666 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.933 -2.740 6.994 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.953 -2.152 7.613 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.039 -3.427 7.688 1.00 0.00 N ATOM 0 H ARG A 61 -13.389 -3.547 0.897 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.093 -2.689 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.994 -1.320 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.803 -0.627 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.241 -3.212 3.098 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.403 -1.672 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.675 -0.887 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.727 -2.287 4.953 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.001 -3.157 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.649 -1.637 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.039 -2.216 8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.267 -3.890 7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.122 -3.494 8.702 1.00 0.00 H new ATOM 798 N ASN A 62 -16.062 -0.573 1.493 1.00 0.00 N ATOM 799 CA ASN A 62 -16.931 0.238 0.651 1.00 0.00 C ATOM 800 C ASN A 62 -16.106 1.341 -0.034 1.00 0.00 C ATOM 801 O ASN A 62 -16.532 2.498 -0.093 1.00 0.00 O ATOM 802 CB ASN A 62 -18.046 0.813 1.541 1.00 0.00 C ATOM 803 CG ASN A 62 -19.266 -0.085 1.611 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.737 -0.605 0.605 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.827 -0.262 2.792 1.00 0.00 N ATOM 0 H ASN A 62 -15.703 -0.061 2.299 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.385 -0.357 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.657 0.968 2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.342 1.790 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.664 -0.838 2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.423 0.177 3.619 1.00 0.00 H new ATOM 812 N LEU A 63 -14.881 1.042 -0.472 1.00 0.00 N ATOM 813 CA LEU A 63 -13.930 2.052 -0.960 1.00 0.00 C ATOM 814 C LEU A 63 -13.729 1.909 -2.457 1.00 0.00 C ATOM 815 O LEU A 63 -13.993 0.839 -3.002 1.00 0.00 O ATOM 816 CB LEU A 63 -12.580 1.938 -0.248 1.00 0.00 C ATOM 817 CG LEU A 63 -12.676 1.940 1.282 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.268 1.766 1.851 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.375 3.198 1.808 1.00 0.00 C ATOM 0 H LEU A 63 -14.516 0.090 -0.500 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.352 3.033 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.089 1.020 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.945 2.766 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.297 1.109 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.313 1.765 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.850 0.821 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.636 2.588 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.422 3.160 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.815 4.081 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.385 3.249 1.402 1.00 0.00 H new ATOM 831 N ASP A 64 -13.242 2.954 -3.126 1.00 0.00 N ATOM 832 CA ASP A 64 -12.958 2.897 -4.552 1.00 0.00 C ATOM 833 C ASP A 64 -11.455 2.849 -4.746 1.00 0.00 C ATOM 834 O ASP A 64 -10.707 3.629 -4.148 1.00 0.00 O ATOM 835 CB ASP A 64 -13.524 4.103 -5.301 1.00 0.00 C ATOM 836 CG ASP A 64 -13.478 3.912 -6.818 1.00 0.00 C ATOM 837 OD1 ASP A 64 -13.149 2.796 -7.281 1.00 0.00 O ATOM 838 OD2 ASP A 64 -13.794 4.895 -7.522 1.00 0.00 O ATOM 0 H ASP A 64 -13.036 3.855 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.435 2.005 -4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.554 4.272 -4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.958 4.995 -5.031 1.00 0.00 H new ATOM 843 N VAL A 65 -11.022 1.950 -5.616 1.00 0.00 N ATOM 844 CA VAL A 65 -9.649 1.810 -6.055 1.00 0.00 C ATOM 845 C VAL A 65 -9.140 3.121 -6.652 1.00 0.00 C ATOM 846 O VAL A 65 -7.988 3.491 -6.427 1.00 0.00 O ATOM 847 CB VAL A 65 -9.541 0.608 -7.011 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.511 0.724 -8.176 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.159 0.477 -7.640 1.00 0.00 C ATOM 0 H VAL A 65 -11.647 1.271 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.997 1.602 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.764 -0.256 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.403 -0.144 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.532 0.768 -7.796 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.294 1.631 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.142 -0.387 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.932 1.378 -8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.413 0.347 -6.856 1.00 0.00 H new ATOM 859 N GLU A 66 -9.974 3.841 -7.397 1.00 0.00 N ATOM 860 CA GLU A 66 -9.566 5.047 -8.098 1.00 0.00 C ATOM 861 C GLU A 66 -9.150 6.113 -7.081 1.00 0.00 C ATOM 862 O GLU A 66 -8.146 6.806 -7.273 1.00 0.00 O ATOM 863 CB GLU A 66 -10.723 5.530 -8.977 1.00 0.00 C ATOM 864 CG GLU A 66 -11.260 4.443 -9.923 1.00 0.00 C ATOM 865 CD GLU A 66 -10.178 3.907 -10.870 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.483 4.725 -11.515 1.00 0.00 O ATOM 867 OE2 GLU A 66 -9.978 2.673 -10.945 1.00 0.00 O ATOM 0 H GLU A 66 -10.956 3.600 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.709 4.843 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.534 5.880 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.391 6.384 -9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.664 3.620 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.084 4.850 -10.510 1.00 0.00 H new ATOM 874 N VAL A 67 -9.881 6.190 -5.968 1.00 0.00 N ATOM 875 CA VAL A 67 -9.604 7.117 -4.880 1.00 0.00 C ATOM 876 C VAL A 67 -8.381 6.625 -4.104 1.00 0.00 C ATOM 877 O VAL A 67 -7.502 7.406 -3.750 1.00 0.00 O ATOM 878 CB VAL A 67 -10.846 7.219 -3.977 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.635 8.217 -2.831 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.109 7.636 -4.756 1.00 0.00 C ATOM 0 H VAL A 67 -10.695 5.598 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.383 8.112 -5.267 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.993 6.218 -3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.534 8.260 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.792 7.896 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.429 9.205 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.956 7.693 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.948 8.611 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.318 6.899 -5.532 1.00 0.00 H new ATOM 890 N LEU A 68 -8.288 5.319 -3.844 1.00 0.00 N ATOM 891 CA LEU A 68 -7.144 4.760 -3.133 1.00 0.00 C ATOM 892 C LEU A 68 -5.849 5.063 -3.871 1.00 0.00 C ATOM 893 O LEU A 68 -4.865 5.420 -3.233 1.00 0.00 O ATOM 894 CB LEU A 68 -7.335 3.255 -2.948 1.00 0.00 C ATOM 895 CG LEU A 68 -8.326 2.989 -1.803 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.977 1.627 -1.983 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.594 3.014 -0.464 1.00 0.00 C ATOM 0 H LEU A 68 -8.992 4.633 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.077 5.225 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.706 2.811 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.378 2.783 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.091 3.765 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.677 1.448 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.512 1.602 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.209 0.853 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.303 2.825 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.822 2.244 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.133 3.991 -0.320 1.00 0.00 H new ATOM 909 N ASN A 69 -5.856 4.966 -5.201 1.00 0.00 N ATOM 910 CA ASN A 69 -4.716 5.319 -6.041 1.00 0.00 C ATOM 911 C ASN A 69 -4.383 6.810 -5.936 1.00 0.00 C ATOM 912 O ASN A 69 -3.206 7.159 -5.963 1.00 0.00 O ATOM 913 CB ASN A 69 -4.991 4.944 -7.502 1.00 0.00 C ATOM 914 CG ASN A 69 -4.748 3.465 -7.772 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.609 3.003 -7.813 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.795 2.684 -7.944 1.00 0.00 N ATOM 0 H ASN A 69 -6.664 4.636 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.855 4.754 -5.683 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.023 5.192 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.353 5.540 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.665 1.687 -8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.736 3.077 -7.908 1.00 0.00 H new ATOM 923 N GLN A 70 -5.387 7.682 -5.806 1.00 0.00 N ATOM 924 CA GLN A 70 -5.187 9.108 -5.526 1.00 0.00 C ATOM 925 C GLN A 70 -4.463 9.311 -4.189 1.00 0.00 C ATOM 926 O GLN A 70 -3.494 10.069 -4.136 1.00 0.00 O ATOM 927 CB GLN A 70 -6.524 9.870 -5.515 1.00 0.00 C ATOM 928 CG GLN A 70 -6.726 10.782 -6.723 1.00 0.00 C ATOM 929 CD GLN A 70 -8.138 11.363 -6.713 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.428 12.359 -6.054 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.079 10.775 -7.430 1.00 0.00 N ATOM 0 H GLN A 70 -6.368 7.417 -5.893 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.566 9.509 -6.327 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.341 9.150 -5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.582 10.469 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.993 11.588 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.562 10.221 -7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.856 9.947 -7.983 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.028 11.149 -7.431 1.00 0.00 H new ATOM 940 N VAL A 71 -4.877 8.649 -3.105 1.00 0.00 N ATOM 941 CA VAL A 71 -4.159 8.742 -1.833 1.00 0.00 C ATOM 942 C VAL A 71 -2.753 8.134 -1.986 1.00 0.00 C ATOM 943 O VAL A 71 -1.778 8.675 -1.461 1.00 0.00 O ATOM 944 CB VAL A 71 -4.990 8.140 -0.687 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.245 8.302 0.641 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.334 8.867 -0.542 1.00 0.00 C ATOM 0 H VAL A 71 -5.700 8.047 -3.083 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.015 9.787 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.154 7.088 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.840 7.873 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.286 7.787 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.078 9.361 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.902 8.422 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.156 9.921 -0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.899 8.775 -1.469 1.00 0.00 H new ATOM 956 N ARG A 72 -2.605 7.097 -2.814 1.00 0.00 N ATOM 957 CA ARG A 72 -1.313 6.524 -3.186 1.00 0.00 C ATOM 958 C ARG A 72 -0.417 7.418 -4.048 1.00 0.00 C ATOM 959 O ARG A 72 0.621 6.965 -4.531 1.00 0.00 O ATOM 960 CB ARG A 72 -1.521 5.173 -3.863 1.00 0.00 C ATOM 961 CG ARG A 72 -0.644 4.124 -3.170 1.00 0.00 C ATOM 962 CD ARG A 72 -0.653 2.768 -3.884 1.00 0.00 C ATOM 963 NE ARG A 72 0.464 2.671 -4.837 1.00 0.00 N ATOM 964 CZ ARG A 72 0.476 3.087 -6.104 1.00 0.00 C ATOM 965 NH1 ARG A 72 -0.638 3.429 -6.746 1.00 0.00 N ATOM 966 NH2 ARG A 72 1.641 3.165 -6.718 1.00 0.00 N ATOM 0 H ARG A 72 -3.396 6.625 -3.252 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.770 6.412 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.570 4.882 -3.807 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.264 5.239 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.380 4.493 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.989 3.991 -2.145 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.581 1.965 -3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.598 2.635 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 72 1.321 2.239 -4.491 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.538 3.377 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.592 3.743 -7.715 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.496 2.911 -6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.687 3.479 -7.687 1.00 0.00 H new ATOM 980 N ALA A 73 -0.847 8.648 -4.300 1.00 0.00 N ATOM 981 CA ALA A 73 -0.124 9.670 -5.055 1.00 0.00 C ATOM 982 C ALA A 73 0.354 10.866 -4.208 1.00 0.00 C ATOM 983 O ALA A 73 0.933 11.797 -4.779 1.00 0.00 O ATOM 984 CB ALA A 73 -1.022 10.177 -6.190 1.00 0.00 C ATOM 0 H ALA A 73 -1.753 8.978 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 73 0.778 9.193 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.492 10.940 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.281 9.347 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.933 10.604 -5.770 1.00 0.00 H new ATOM 990 N GLN A 74 0.080 10.923 -2.898 1.00 0.00 N ATOM 991 CA GLN A 74 0.267 12.104 -2.069 1.00 0.00 C ATOM 992 C GLN A 74 0.946 11.857 -0.708 1.00 0.00 C ATOM 993 O GLN A 74 1.014 12.775 0.111 1.00 0.00 O ATOM 994 CB GLN A 74 -1.088 12.805 -1.956 1.00 0.00 C ATOM 995 CG GLN A 74 -2.173 12.009 -1.232 1.00 0.00 C ATOM 996 CD GLN A 74 -3.548 12.635 -1.411 1.00 0.00 C ATOM 997 OE1 GLN A 74 -4.013 13.392 -0.565 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.231 12.299 -2.492 1.00 0.00 N ATOM 0 H GLN A 74 -0.287 10.125 -2.380 1.00 0.00 H new ATOM 0 HA GLN A 74 0.992 12.754 -2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.947 13.753 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.442 13.042 -2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.187 10.987 -1.610 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.935 11.953 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.820 11.667 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.169 12.671 -2.639 1.00 0.00 H new