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 :FLIP amide:sc= 0.0434 F(o=0,f=1.1) USER MOD Set 1.2: A 69 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 28 THR OG1 : rot 70:sc= 1.06 USER MOD Single : A 31 GLN : amide:sc= -0.0577 X(o=-0.058,f=-0.15) USER MOD Single : A 33 SER OG : rot -46:sc= 0.00573 USER MOD Single : A 36 TYR OH : rot 58:sc= 0.935 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0.266 USER MOD Single : A 62 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 7.346 1.921 -0.725 1.00 0.00 N ATOM 109 CA ILE A 21 5.962 1.709 -1.104 1.00 0.00 C ATOM 110 C ILE A 21 5.187 1.444 0.183 1.00 0.00 C ATOM 111 O ILE A 21 4.243 2.160 0.497 1.00 0.00 O ATOM 112 CB ILE A 21 5.891 0.579 -2.150 1.00 0.00 C ATOM 113 CG1 ILE A 21 6.580 1.009 -3.468 1.00 0.00 C ATOM 114 CG2 ILE A 21 4.431 0.190 -2.391 1.00 0.00 C ATOM 115 CD1 ILE A 21 6.851 -0.144 -4.441 1.00 0.00 C ATOM 0 HA ILE A 21 5.507 2.573 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 21 6.424 -0.292 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.955 1.751 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.525 1.497 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.385 -0.609 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.987 -0.154 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.879 1.056 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.335 0.243 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.502 -0.877 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.909 -0.619 -4.714 1.00 0.00 H new ATOM 127 N LEU A 22 5.605 0.451 0.968 1.00 0.00 N ATOM 128 CA LEU A 22 5.034 0.081 2.250 1.00 0.00 C ATOM 129 C LEU A 22 4.916 1.251 3.222 1.00 0.00 C ATOM 130 O LEU A 22 3.978 1.255 4.019 1.00 0.00 O ATOM 131 CB LEU A 22 5.913 -1.036 2.830 1.00 0.00 C ATOM 132 CG LEU A 22 5.425 -2.431 2.415 1.00 0.00 C ATOM 133 CD1 LEU A 22 5.121 -2.647 0.928 1.00 0.00 C ATOM 134 CD2 LEU A 22 6.435 -3.493 2.844 1.00 0.00 C ATOM 0 H LEU A 22 6.392 -0.144 0.708 1.00 0.00 H new ATOM 0 HA LEU A 22 4.009 -0.258 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.941 -0.898 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.919 -0.964 3.918 1.00 0.00 H new ATOM 0 HG LEU A 22 4.468 -2.520 2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.786 -3.672 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.338 -1.957 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.022 -2.466 0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.077 -4.478 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.395 -3.295 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.555 -3.465 3.927 1.00 0.00 H new ATOM 146 N SER A 23 5.814 2.232 3.155 1.00 0.00 N ATOM 147 CA SER A 23 5.736 3.435 3.983 1.00 0.00 C ATOM 148 C SER A 23 4.516 4.290 3.622 1.00 0.00 C ATOM 149 O SER A 23 3.849 4.845 4.500 1.00 0.00 O ATOM 150 CB SER A 23 7.039 4.228 3.821 1.00 0.00 C ATOM 151 OG SER A 23 7.453 4.297 2.466 1.00 0.00 O ATOM 0 H SER A 23 6.616 2.216 2.525 1.00 0.00 H new ATOM 0 HA SER A 23 5.613 3.145 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.900 5.237 4.210 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.824 3.762 4.417 1.00 0.00 H new ATOM 0 HG SER A 23 8.285 4.811 2.404 1.00 0.00 H new ATOM 157 N GLY A 24 4.226 4.367 2.327 1.00 0.00 N ATOM 158 CA GLY A 24 3.109 5.093 1.753 1.00 0.00 C ATOM 159 C GLY A 24 1.775 4.402 1.967 1.00 0.00 C ATOM 160 O GLY A 24 0.744 5.073 2.055 1.00 0.00 O ATOM 0 H GLY A 24 4.794 3.901 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.069 6.090 2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.278 5.221 0.684 1.00 0.00 H new ATOM 164 N ILE A 25 1.762 3.068 1.949 1.00 0.00 N ATOM 165 CA ILE A 25 0.525 2.304 2.038 1.00 0.00 C ATOM 166 C ILE A 25 -0.094 2.505 3.416 1.00 0.00 C ATOM 167 O ILE A 25 -1.304 2.670 3.479 1.00 0.00 O ATOM 168 CB ILE A 25 0.760 0.824 1.689 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.138 0.686 0.199 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.501 -0.030 1.940 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.560 -0.734 -0.168 1.00 0.00 C ATOM 0 H ILE A 25 2.602 2.495 1.873 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.189 2.670 1.300 1.00 0.00 H new ATOM 0 HB ILE A 25 1.567 0.469 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.288 0.979 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.951 1.374 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.294 -1.069 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.780 0.034 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.320 0.341 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.815 -0.776 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.428 -1.021 0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.739 -1.421 0.034 1.00 0.00 H new ATOM 183 N GLU A 26 0.701 2.525 4.486 1.00 0.00 N ATOM 184 CA GLU A 26 0.225 2.808 5.842 1.00 0.00 C ATOM 185 C GLU A 26 -0.506 4.163 5.847 1.00 0.00 C ATOM 186 O GLU A 26 -1.679 4.260 6.199 1.00 0.00 O ATOM 187 CB GLU A 26 1.443 2.742 6.782 1.00 0.00 C ATOM 188 CG GLU A 26 1.251 3.086 8.268 1.00 0.00 C ATOM 189 CD GLU A 26 0.130 2.349 9.006 1.00 0.00 C ATOM 190 OE1 GLU A 26 -1.050 2.484 8.634 1.00 0.00 O ATOM 191 OE2 GLU A 26 0.440 1.672 10.022 1.00 0.00 O ATOM 0 H GLU A 26 1.703 2.344 4.436 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.502 2.077 6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.848 1.732 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.204 3.413 6.384 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.188 2.887 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.064 4.157 8.348 1.00 0.00 H new ATOM 198 N GLU A 27 0.146 5.199 5.317 1.00 0.00 N ATOM 199 CA GLU A 27 -0.406 6.550 5.256 1.00 0.00 C ATOM 200 C GLU A 27 -1.661 6.642 4.369 1.00 0.00 C ATOM 201 O GLU A 27 -2.499 7.535 4.559 1.00 0.00 O ATOM 202 CB GLU A 27 0.713 7.475 4.765 1.00 0.00 C ATOM 203 CG GLU A 27 0.298 8.950 4.712 1.00 0.00 C ATOM 204 CD GLU A 27 1.518 9.869 4.786 1.00 0.00 C ATOM 205 OE1 GLU A 27 2.537 9.598 4.109 1.00 0.00 O ATOM 206 OE2 GLU A 27 1.467 10.857 5.553 1.00 0.00 O ATOM 0 H GLU A 27 1.080 5.121 4.915 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.745 6.853 6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.576 7.371 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.028 7.157 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.251 9.143 3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.378 9.171 5.538 1.00 0.00 H new ATOM 213 N THR A 28 -1.810 5.724 3.408 1.00 0.00 N ATOM 214 CA THR A 28 -3.030 5.562 2.638 1.00 0.00 C ATOM 215 C THR A 28 -4.087 4.910 3.520 1.00 0.00 C ATOM 216 O THR A 28 -5.145 5.490 3.721 1.00 0.00 O ATOM 217 CB THR A 28 -2.762 4.744 1.365 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.673 5.306 0.660 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.980 4.722 0.436 1.00 0.00 C ATOM 0 H THR A 28 -1.073 5.069 3.146 1.00 0.00 H new ATOM 0 HA THR A 28 -3.398 6.536 2.316 1.00 0.00 H new ATOM 0 HB THR A 28 -2.540 3.723 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.846 5.160 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.750 4.134 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.827 4.276 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.231 5.741 0.141 1.00 0.00 H new ATOM 227 N PHE A 29 -3.812 3.717 4.044 1.00 0.00 N ATOM 228 CA PHE A 29 -4.720 2.912 4.841 1.00 0.00 C ATOM 229 C PHE A 29 -5.351 3.770 5.938 1.00 0.00 C ATOM 230 O PHE A 29 -6.577 3.840 6.030 1.00 0.00 O ATOM 231 CB PHE A 29 -3.946 1.706 5.405 1.00 0.00 C ATOM 232 CG PHE A 29 -3.944 0.445 4.550 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.694 0.481 3.165 1.00 0.00 C ATOM 234 CD2 PHE A 29 -4.186 -0.796 5.164 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.700 -0.709 2.414 1.00 0.00 C ATOM 236 CE2 PHE A 29 -4.208 -1.982 4.413 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.968 -1.940 3.032 1.00 0.00 C ATOM 0 H PHE A 29 -2.905 3.269 3.915 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.538 2.532 4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.912 2.010 5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.364 1.457 6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.497 1.424 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.358 -0.838 6.229 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.497 -0.675 1.354 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.410 -2.926 4.898 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.989 -2.848 2.448 1.00 0.00 H new ATOM 247 N ALA A 30 -4.531 4.493 6.697 1.00 0.00 N ATOM 248 CA ALA A 30 -4.975 5.337 7.789 1.00 0.00 C ATOM 249 C ALA A 30 -5.941 6.457 7.371 1.00 0.00 C ATOM 250 O ALA A 30 -6.806 6.818 8.174 1.00 0.00 O ATOM 251 CB ALA A 30 -3.735 5.887 8.487 1.00 0.00 C ATOM 0 H ALA A 30 -3.520 4.505 6.562 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.565 4.727 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.038 6.528 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.135 5.060 8.868 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.145 6.467 7.777 1.00 0.00 H new ATOM 257 N GLN A 31 -5.857 6.976 6.139 1.00 0.00 N ATOM 258 CA GLN A 31 -6.770 7.987 5.585 1.00 0.00 C ATOM 259 C GLN A 31 -8.161 7.424 5.262 1.00 0.00 C ATOM 260 O GLN A 31 -9.088 8.182 4.971 1.00 0.00 O ATOM 261 CB GLN A 31 -6.142 8.588 4.309 1.00 0.00 C ATOM 262 CG GLN A 31 -5.635 10.009 4.582 1.00 0.00 C ATOM 263 CD GLN A 31 -4.725 10.586 3.502 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.131 11.451 2.727 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.474 10.153 3.431 1.00 0.00 N ATOM 0 H GLN A 31 -5.131 6.696 5.480 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.910 8.754 6.347 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.318 7.960 3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.880 8.606 3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.494 10.669 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.096 10.011 5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.145 9.436 4.077 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.840 10.537 2.730 1.00 0.00 H new ATOM 274 N PHE A 32 -8.312 6.103 5.295 1.00 0.00 N ATOM 275 CA PHE A 32 -9.567 5.391 5.097 1.00 0.00 C ATOM 276 C PHE A 32 -9.861 4.488 6.306 1.00 0.00 C ATOM 277 O PHE A 32 -10.707 3.596 6.218 1.00 0.00 O ATOM 278 CB PHE A 32 -9.505 4.615 3.773 1.00 0.00 C ATOM 279 CG PHE A 32 -9.349 5.455 2.519 1.00 0.00 C ATOM 280 CD1 PHE A 32 -8.069 5.866 2.106 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.464 5.763 1.715 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.902 6.590 0.919 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.289 6.466 0.508 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.010 6.890 0.113 1.00 0.00 C ATOM 0 H PHE A 32 -7.528 5.474 5.468 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.396 6.095 5.027 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.672 3.914 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.415 4.022 3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.207 5.621 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.453 5.460 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.917 6.919 0.623 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.143 6.680 -0.117 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.880 7.443 -0.805 1.00 0.00 H new ATOM 294 N SER A 33 -9.161 4.686 7.434 1.00 0.00 N ATOM 295 CA SER A 33 -9.379 3.985 8.702 1.00 0.00 C ATOM 296 C SER A 33 -8.969 2.502 8.629 1.00 0.00 C ATOM 297 O SER A 33 -9.419 1.684 9.437 1.00 0.00 O ATOM 298 CB SER A 33 -10.854 4.167 9.112 1.00 0.00 C ATOM 299 OG SER A 33 -11.048 4.009 10.502 1.00 0.00 O ATOM 0 H SER A 33 -8.401 5.364 7.486 1.00 0.00 H new ATOM 0 HA SER A 33 -8.737 4.419 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.193 5.158 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.469 3.444 8.577 1.00 0.00 H new ATOM 0 HG SER A 33 -10.573 3.209 10.810 1.00 0.00 H new ATOM 305 N ILE A 34 -8.170 2.113 7.640 1.00 0.00 N ATOM 306 CA ILE A 34 -7.941 0.709 7.343 1.00 0.00 C ATOM 307 C ILE A 34 -6.800 0.232 8.257 1.00 0.00 C ATOM 308 O ILE A 34 -5.773 0.907 8.320 1.00 0.00 O ATOM 309 CB ILE A 34 -7.630 0.523 5.844 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.693 1.173 4.930 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.531 -0.969 5.499 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.350 1.151 3.439 1.00 0.00 C ATOM 0 H ILE A 34 -7.669 2.758 7.029 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.827 0.105 7.538 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.677 1.021 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.643 0.660 5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.837 2.208 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.311 -1.083 4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.734 -1.426 6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.477 -1.459 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.151 1.628 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.418 1.690 3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.237 0.119 3.107 1.00 0.00 H new ATOM 324 N PRO A 35 -6.922 -0.922 8.934 1.00 0.00 N ATOM 325 CA PRO A 35 -5.830 -1.508 9.699 1.00 0.00 C ATOM 326 C PRO A 35 -4.726 -1.965 8.759 1.00 0.00 C ATOM 327 O PRO A 35 -4.872 -2.956 8.044 1.00 0.00 O ATOM 328 CB PRO A 35 -6.418 -2.684 10.473 1.00 0.00 C ATOM 329 CG PRO A 35 -7.663 -3.058 9.670 1.00 0.00 C ATOM 330 CD PRO A 35 -8.104 -1.759 9.007 1.00 0.00 C ATOM 0 HA PRO A 35 -5.389 -0.786 10.386 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.716 -3.515 10.533 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.670 -2.405 11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.440 -3.825 8.928 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.445 -3.458 10.316 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.510 -1.947 8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.890 -1.274 9.586 1.00 0.00 H new ATOM 338 N TYR A 36 -3.611 -1.253 8.744 1.00 0.00 N ATOM 339 CA TYR A 36 -2.398 -1.693 8.082 1.00 0.00 C ATOM 340 C TYR A 36 -1.706 -2.732 8.965 1.00 0.00 C ATOM 341 O TYR A 36 -1.921 -2.770 10.179 1.00 0.00 O ATOM 342 CB TYR A 36 -1.527 -0.457 7.882 1.00 0.00 C ATOM 343 CG TYR A 36 -0.236 -0.683 7.133 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.233 -0.748 5.730 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.971 -0.765 7.848 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.992 -0.899 5.054 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.186 -0.963 7.181 1.00 0.00 C ATOM 348 CZ TYR A 36 2.198 -1.021 5.775 1.00 0.00 C ATOM 349 OH TYR A 36 3.378 -1.101 5.110 1.00 0.00 O ATOM 0 H TYR A 36 -3.524 -0.343 9.197 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.598 -2.157 7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.110 0.293 7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.290 -0.039 8.861 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.159 -0.683 5.177 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.961 -0.674 8.924 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.009 -0.922 3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.104 -1.070 7.740 1.00 0.00 H new ATOM 0 HH TYR A 36 3.489 -0.308 4.545 1.00 0.00 H new ATOM 359 N ASP A 37 -0.859 -3.567 8.370 1.00 0.00 N ATOM 360 CA ASP A 37 0.056 -4.466 9.063 1.00 0.00 C ATOM 361 C ASP A 37 1.253 -4.630 8.149 1.00 0.00 C ATOM 362 O ASP A 37 1.099 -5.143 7.038 1.00 0.00 O ATOM 363 CB ASP A 37 -0.562 -5.849 9.315 1.00 0.00 C ATOM 364 CG ASP A 37 -1.365 -5.940 10.602 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.776 -5.796 11.701 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.549 -6.345 10.520 1.00 0.00 O ATOM 0 H ASP A 37 -0.789 -3.638 7.355 1.00 0.00 H new ATOM 0 HA ASP A 37 0.311 -4.048 10.037 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.209 -6.105 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.235 -6.593 9.342 1.00 0.00 H new ATOM 371 N LYS A 38 2.440 -4.214 8.596 1.00 0.00 N ATOM 372 CA LYS A 38 3.657 -4.306 7.792 1.00 0.00 C ATOM 373 C LYS A 38 3.854 -5.744 7.313 1.00 0.00 C ATOM 374 O LYS A 38 4.074 -5.947 6.123 1.00 0.00 O ATOM 375 CB LYS A 38 4.851 -3.778 8.609 1.00 0.00 C ATOM 376 CG LYS A 38 6.179 -3.701 7.835 1.00 0.00 C ATOM 377 CD LYS A 38 6.171 -2.758 6.623 1.00 0.00 C ATOM 378 CE LYS A 38 5.943 -1.287 6.993 1.00 0.00 C ATOM 379 NZ LYS A 38 7.180 -0.600 7.413 1.00 0.00 N ATOM 0 H LYS A 38 2.583 -3.806 9.520 1.00 0.00 H new ATOM 0 HA LYS A 38 3.574 -3.684 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.606 -2.784 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.990 -4.420 9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.963 -3.380 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.443 -4.703 7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.121 -2.849 6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.391 -3.075 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.517 -0.765 6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.211 -1.230 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.964 0.389 7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.576 -1.078 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.872 -0.627 6.637 1.00 0.00 H new ATOM 393 N GLU A 39 3.710 -6.729 8.203 1.00 0.00 N ATOM 394 CA GLU A 39 3.815 -8.148 7.880 1.00 0.00 C ATOM 395 C GLU A 39 2.841 -8.563 6.771 1.00 0.00 C ATOM 396 O GLU A 39 3.243 -9.274 5.847 1.00 0.00 O ATOM 397 CB GLU A 39 3.569 -8.998 9.144 1.00 0.00 C ATOM 398 CG GLU A 39 4.852 -9.486 9.841 1.00 0.00 C ATOM 399 CD GLU A 39 4.985 -11.006 9.758 1.00 0.00 C ATOM 400 OE1 GLU A 39 5.249 -11.537 8.654 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.655 -11.705 10.741 1.00 0.00 O ATOM 0 H GLU A 39 3.513 -6.555 9.189 1.00 0.00 H new ATOM 0 HA GLU A 39 4.825 -8.324 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.985 -8.412 9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.965 -9.864 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.721 -9.017 9.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.841 -9.176 10.886 1.00 0.00 H new ATOM 408 N LYS A 40 1.551 -8.206 6.862 1.00 0.00 N ATOM 409 CA LYS A 40 0.567 -8.694 5.895 1.00 0.00 C ATOM 410 C LYS A 40 0.805 -8.063 4.536 1.00 0.00 C ATOM 411 O LYS A 40 0.674 -8.735 3.515 1.00 0.00 O ATOM 412 CB LYS A 40 -0.865 -8.371 6.339 1.00 0.00 C ATOM 413 CG LYS A 40 -1.214 -8.818 7.760 1.00 0.00 C ATOM 414 CD LYS A 40 -1.032 -10.304 8.054 1.00 0.00 C ATOM 415 CE LYS A 40 0.295 -10.483 8.787 1.00 0.00 C ATOM 416 NZ LYS A 40 0.474 -11.887 9.216 1.00 0.00 N ATOM 0 H LYS A 40 1.173 -7.592 7.583 1.00 0.00 H new ATOM 0 HA LYS A 40 0.685 -9.776 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.019 -7.295 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.560 -8.842 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.600 -8.251 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.252 -8.552 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.856 -10.675 8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.036 -10.879 7.128 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.118 -10.190 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.327 -9.826 9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.383 -11.985 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.301 -12.156 9.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.466 -12.508 8.382 1.00 0.00 H new ATOM 430 N VAL A 41 1.135 -6.775 4.522 1.00 0.00 N ATOM 431 CA VAL A 41 1.395 -6.044 3.301 1.00 0.00 C ATOM 432 C VAL A 41 2.672 -6.596 2.659 1.00 0.00 C ATOM 433 O VAL A 41 2.614 -6.964 1.488 1.00 0.00 O ATOM 434 CB VAL A 41 1.382 -4.538 3.619 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.852 -3.680 2.442 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.058 -4.134 3.986 1.00 0.00 C ATOM 0 H VAL A 41 1.228 -6.212 5.367 1.00 0.00 H new ATOM 0 HA VAL A 41 0.622 -6.179 2.544 1.00 0.00 H new ATOM 0 HB VAL A 41 2.074 -4.364 4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.822 -2.628 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.873 -3.955 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.197 -3.845 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.090 -3.069 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.720 -4.344 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.385 -4.703 4.857 1.00 0.00 H new ATOM 446 N ARG A 42 3.788 -6.727 3.397 1.00 0.00 N ATOM 447 CA ARG A 42 5.034 -7.351 2.937 1.00 0.00 C ATOM 448 C ARG A 42 4.775 -8.664 2.213 1.00 0.00 C ATOM 449 O ARG A 42 5.336 -8.904 1.144 1.00 0.00 O ATOM 450 CB ARG A 42 5.969 -7.642 4.127 1.00 0.00 C ATOM 451 CG ARG A 42 6.944 -6.512 4.476 1.00 0.00 C ATOM 452 CD ARG A 42 8.070 -7.106 5.334 1.00 0.00 C ATOM 453 NE ARG A 42 9.274 -6.264 5.409 1.00 0.00 N ATOM 454 CZ ARG A 42 10.100 -5.977 4.391 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.911 -6.415 3.151 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.154 -5.213 4.596 1.00 0.00 N ATOM 0 H ARG A 42 3.846 -6.391 4.358 1.00 0.00 H new ATOM 0 HA ARG A 42 5.499 -6.645 2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.359 -7.859 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.543 -8.542 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.351 -6.066 3.569 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.430 -5.719 5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.694 -7.274 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.345 -8.080 4.930 1.00 0.00 H new ATOM 0 HE ARG A 42 9.502 -5.861 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.105 -7.001 2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.572 -6.165 2.416 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.341 -4.841 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.783 -4.994 3.824 1.00 0.00 H new ATOM 470 N GLU A 43 3.974 -9.533 2.816 1.00 0.00 N ATOM 471 CA GLU A 43 3.689 -10.825 2.228 1.00 0.00 C ATOM 472 C GLU A 43 2.820 -10.679 0.971 1.00 0.00 C ATOM 473 O GLU A 43 3.153 -11.276 -0.053 1.00 0.00 O ATOM 474 CB GLU A 43 3.088 -11.731 3.303 1.00 0.00 C ATOM 475 CG GLU A 43 2.892 -13.143 2.758 1.00 0.00 C ATOM 476 CD GLU A 43 2.949 -14.186 3.863 1.00 0.00 C ATOM 477 OE1 GLU A 43 2.078 -14.184 4.769 1.00 0.00 O ATOM 478 OE2 GLU A 43 3.829 -15.075 3.808 1.00 0.00 O ATOM 0 H GLU A 43 3.513 -9.362 3.710 1.00 0.00 H new ATOM 0 HA GLU A 43 4.606 -11.300 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.743 -11.758 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.132 -11.327 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.931 -13.206 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.661 -13.357 2.016 1.00 0.00 H new ATOM 485 N PHE A 44 1.752 -9.870 1.014 1.00 0.00 N ATOM 486 CA PHE A 44 0.870 -9.650 -0.134 1.00 0.00 C ATOM 487 C PHE A 44 1.682 -9.201 -1.348 1.00 0.00 C ATOM 488 O PHE A 44 1.541 -9.755 -2.437 1.00 0.00 O ATOM 489 CB PHE A 44 -0.227 -8.619 0.198 1.00 0.00 C ATOM 490 CG PHE A 44 -1.376 -8.578 -0.803 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.195 -8.058 -2.102 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.641 -9.079 -0.436 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.248 -8.112 -3.032 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.706 -9.079 -1.356 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.503 -8.610 -2.664 1.00 0.00 C ATOM 0 H PHE A 44 1.478 -9.351 1.848 1.00 0.00 H new ATOM 0 HA PHE A 44 0.380 -10.594 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.630 -8.841 1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.226 -7.629 0.253 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.249 -7.619 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.795 -9.466 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.087 -7.765 -4.042 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.679 -9.440 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.310 -8.633 -3.381 1.00 0.00 H new ATOM 505 N ILE A 45 2.541 -8.193 -1.186 1.00 0.00 N ATOM 506 CA ILE A 45 3.256 -7.615 -2.317 1.00 0.00 C ATOM 507 C ILE A 45 4.215 -8.615 -2.989 1.00 0.00 C ATOM 508 O ILE A 45 4.421 -8.530 -4.202 1.00 0.00 O ATOM 509 CB ILE A 45 3.941 -6.289 -1.922 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.982 -6.474 -0.802 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.900 -5.233 -1.492 1.00 0.00 C ATOM 512 CD1 ILE A 45 6.163 -5.522 -0.874 1.00 0.00 C ATOM 0 H ILE A 45 2.755 -7.764 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 45 2.517 -7.375 -3.081 1.00 0.00 H new ATOM 0 HB ILE A 45 4.465 -5.939 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.487 -6.346 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.355 -7.498 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.410 -4.309 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.216 -5.039 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.338 -5.604 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.844 -5.724 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.687 -5.663 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.806 -4.494 -0.807 1.00 0.00 H new ATOM 524 N PHE A 46 4.752 -9.590 -2.247 1.00 0.00 N ATOM 525 CA PHE A 46 5.638 -10.631 -2.774 1.00 0.00 C ATOM 526 C PHE A 46 4.883 -11.768 -3.461 1.00 0.00 C ATOM 527 O PHE A 46 5.483 -12.587 -4.170 1.00 0.00 O ATOM 528 CB PHE A 46 6.484 -11.190 -1.625 1.00 0.00 C ATOM 529 CG PHE A 46 7.898 -10.649 -1.670 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.112 -9.275 -1.467 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.985 -11.483 -1.996 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.401 -8.734 -1.572 1.00 0.00 C ATOM 533 CE2 PHE A 46 10.279 -10.943 -2.099 1.00 0.00 C ATOM 534 CZ PHE A 46 10.486 -9.567 -1.892 1.00 0.00 C ATOM 0 H PHE A 46 4.579 -9.678 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 46 6.269 -10.172 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.023 -10.931 -0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.507 -12.278 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.278 -8.632 -1.229 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.825 -12.537 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.560 -7.679 -1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.114 -11.585 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.479 -9.151 -1.979 1.00 0.00 H new ATOM 544 N LYS A 47 3.577 -11.842 -3.218 1.00 0.00 N ATOM 545 CA LYS A 47 2.670 -12.821 -3.789 1.00 0.00 C ATOM 546 C LYS A 47 1.935 -12.252 -4.994 1.00 0.00 C ATOM 547 O LYS A 47 1.541 -13.039 -5.853 1.00 0.00 O ATOM 548 CB LYS A 47 1.664 -13.213 -2.706 1.00 0.00 C ATOM 549 CG LYS A 47 2.256 -14.174 -1.669 1.00 0.00 C ATOM 550 CD LYS A 47 1.325 -14.355 -0.462 1.00 0.00 C ATOM 551 CE LYS A 47 0.466 -15.616 -0.559 1.00 0.00 C ATOM 552 NZ LYS A 47 -0.157 -15.943 0.741 1.00 0.00 N ATOM 0 H LYS A 47 3.106 -11.191 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 47 3.235 -13.689 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.310 -12.314 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.796 -13.679 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.440 -15.142 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.220 -13.795 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.923 -14.397 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.675 -13.484 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.310 -15.473 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.081 -16.453 -0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.733 -16.803 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.586 -16.103 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.762 -15.153 1.044 1.00 0.00 H new ATOM 566 N TYR A 48 1.710 -10.936 -5.049 1.00 0.00 N ATOM 567 CA TYR A 48 0.867 -10.320 -6.069 1.00 0.00 C ATOM 568 C TYR A 48 1.527 -9.085 -6.704 1.00 0.00 C ATOM 569 O TYR A 48 2.249 -9.224 -7.692 1.00 0.00 O ATOM 570 CB TYR A 48 -0.507 -10.027 -5.436 1.00 0.00 C ATOM 571 CG TYR A 48 -1.200 -11.261 -4.878 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.803 -12.167 -5.762 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.178 -11.554 -3.498 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.373 -13.358 -5.285 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.725 -12.757 -3.008 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.329 -13.667 -3.909 1.00 0.00 C ATOM 577 OH TYR A 48 -2.838 -14.853 -3.467 1.00 0.00 O ATOM 0 H TYR A 48 2.109 -10.271 -4.386 1.00 0.00 H new ATOM 0 HA TYR A 48 0.729 -11.006 -6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.380 -9.299 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.151 -9.567 -6.185 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.829 -11.947 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.737 -10.848 -2.809 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.847 -14.041 -5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.684 -12.983 -1.953 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.730 -14.914 -2.495 1.00 0.00 H new ATOM 587 N SER A 49 1.375 -7.890 -6.125 1.00 0.00 N ATOM 588 CA SER A 49 1.707 -6.595 -6.727 1.00 0.00 C ATOM 589 C SER A 49 1.453 -5.529 -5.672 1.00 0.00 C ATOM 590 O SER A 49 1.555 -5.836 -4.483 1.00 0.00 O ATOM 591 CB SER A 49 0.909 -6.389 -8.030 1.00 0.00 C ATOM 592 OG SER A 49 1.323 -5.226 -8.727 1.00 0.00 O ATOM 0 H SER A 49 1.000 -7.795 -5.181 1.00 0.00 H new ATOM 0 HA SER A 49 2.754 -6.539 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.033 -7.260 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.153 -6.313 -7.797 1.00 0.00 H new ATOM 0 HG SER A 49 0.795 -5.131 -9.547 1.00 0.00 H new ATOM 598 N VAL A 50 1.161 -4.287 -6.058 1.00 0.00 N ATOM 599 CA VAL A 50 0.756 -3.216 -5.156 1.00 0.00 C ATOM 600 C VAL A 50 -0.678 -2.747 -5.446 1.00 0.00 C ATOM 601 O VAL A 50 -1.421 -2.454 -4.503 1.00 0.00 O ATOM 602 CB VAL A 50 1.769 -2.063 -5.264 1.00 0.00 C ATOM 603 CG1 VAL A 50 1.292 -0.822 -4.512 1.00 0.00 C ATOM 604 CG2 VAL A 50 3.132 -2.462 -4.693 1.00 0.00 C ATOM 0 H VAL A 50 1.202 -3.993 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 50 0.753 -3.589 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 50 1.860 -1.839 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.033 -0.029 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.343 -0.486 -4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.159 -1.064 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.824 -1.625 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.022 -2.728 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.522 -3.317 -5.245 1.00 0.00 H new ATOM 614 N GLN A 51 -1.085 -2.662 -6.720 1.00 0.00 N ATOM 615 CA GLN A 51 -2.447 -2.274 -7.091 1.00 0.00 C ATOM 616 C GLN A 51 -3.442 -3.213 -6.406 1.00 0.00 C ATOM 617 O GLN A 51 -4.390 -2.770 -5.757 1.00 0.00 O ATOM 618 CB GLN A 51 -2.599 -2.294 -8.621 1.00 0.00 C ATOM 619 CG GLN A 51 -4.043 -2.129 -9.144 1.00 0.00 C ATOM 620 CD GLN A 51 -4.279 -0.836 -9.918 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.180 0.302 -9.257 1.00 0.00 O flip ATOM 622 NE2 GLN A 51 -4.572 -0.828 -11.110 1.00 0.00 N flip ATOM 0 H GLN A 51 -0.480 -2.860 -7.517 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.654 -1.258 -6.756 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.985 -1.497 -9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.200 -3.236 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.284 -2.975 -9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.731 -2.165 -8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.649 -1.707 -11.622 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.739 0.057 -11.588 1.00 0.00 H new ATOM 631 N ASP A 52 -3.172 -4.504 -6.559 1.00 0.00 N ATOM 632 CA ASP A 52 -3.992 -5.666 -6.262 1.00 0.00 C ATOM 633 C ASP A 52 -4.458 -5.716 -4.812 1.00 0.00 C ATOM 634 O ASP A 52 -5.591 -6.116 -4.548 1.00 0.00 O ATOM 635 CB ASP A 52 -3.161 -6.883 -6.698 1.00 0.00 C ATOM 636 CG ASP A 52 -3.182 -6.938 -8.222 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.158 -7.467 -8.809 1.00 0.00 O ATOM 638 OD2 ASP A 52 -2.278 -6.331 -8.828 1.00 0.00 O ATOM 0 H ASP A 52 -2.269 -4.791 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.935 -5.637 -6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.138 -6.798 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.575 -7.799 -6.277 1.00 0.00 H new ATOM 643 N LEU A 53 -3.632 -5.275 -3.866 1.00 0.00 N ATOM 644 CA LEU A 53 -3.965 -5.171 -2.452 1.00 0.00 C ATOM 645 C LEU A 53 -5.074 -4.154 -2.272 1.00 0.00 C ATOM 646 O LEU A 53 -6.079 -4.460 -1.642 1.00 0.00 O ATOM 647 CB LEU A 53 -2.699 -4.749 -1.697 1.00 0.00 C ATOM 648 CG LEU A 53 -2.875 -4.310 -0.237 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.367 -5.459 0.648 1.00 0.00 C ATOM 650 CD2 LEU A 53 -1.498 -3.838 0.240 1.00 0.00 C ATOM 0 H LEU A 53 -2.681 -4.970 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.317 -6.125 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.998 -5.583 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.235 -3.928 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.625 -3.522 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.479 -5.106 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.329 -5.815 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.644 -6.274 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.564 -3.512 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.785 -4.659 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.163 -3.007 -0.380 1.00 0.00 H new ATOM 662 N LEU A 54 -4.896 -2.955 -2.829 1.00 0.00 N ATOM 663 CA LEU A 54 -5.866 -1.885 -2.654 1.00 0.00 C ATOM 664 C LEU A 54 -7.197 -2.283 -3.306 1.00 0.00 C ATOM 665 O LEU A 54 -8.235 -1.879 -2.795 1.00 0.00 O ATOM 666 CB LEU A 54 -5.350 -0.558 -3.243 1.00 0.00 C ATOM 667 CG LEU A 54 -4.065 -0.006 -2.601 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.498 1.188 -3.380 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.261 0.413 -1.148 1.00 0.00 C ATOM 0 H LEU A 54 -4.090 -2.706 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.021 -1.731 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.172 -0.698 -4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.135 0.192 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.357 -0.834 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.592 1.545 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.263 0.879 -4.399 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.236 1.990 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.321 0.794 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.021 1.193 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.582 -0.448 -0.561 1.00 0.00 H new ATOM 681 N VAL A 55 -7.188 -3.085 -4.385 1.00 0.00 N ATOM 682 CA VAL A 55 -8.406 -3.695 -4.926 1.00 0.00 C ATOM 683 C VAL A 55 -9.046 -4.562 -3.839 1.00 0.00 C ATOM 684 O VAL A 55 -10.186 -4.312 -3.461 1.00 0.00 O ATOM 685 CB VAL A 55 -8.152 -4.518 -6.213 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.471 -5.074 -6.773 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.468 -3.718 -7.332 1.00 0.00 C ATOM 0 H VAL A 55 -6.341 -3.325 -4.900 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.084 -2.893 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.481 -5.321 -5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.269 -5.649 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.939 -5.719 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.142 -4.249 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.323 -4.359 -8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.094 -2.870 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.501 -3.357 -6.982 1.00 0.00 H new ATOM 697 N ARG A 56 -8.335 -5.577 -3.326 1.00 0.00 N ATOM 698 CA ARG A 56 -8.919 -6.530 -2.377 1.00 0.00 C ATOM 699 C ARG A 56 -9.521 -5.823 -1.183 1.00 0.00 C ATOM 700 O ARG A 56 -10.601 -6.200 -0.732 1.00 0.00 O ATOM 701 CB ARG A 56 -7.882 -7.537 -1.851 1.00 0.00 C ATOM 702 CG ARG A 56 -7.312 -8.535 -2.854 1.00 0.00 C ATOM 703 CD ARG A 56 -8.250 -8.926 -3.997 1.00 0.00 C ATOM 704 NE ARG A 56 -9.481 -9.597 -3.555 1.00 0.00 N ATOM 705 CZ ARG A 56 -10.453 -10.017 -4.371 1.00 0.00 C ATOM 706 NH1 ARG A 56 -10.351 -9.875 -5.687 1.00 0.00 N ATOM 707 NH2 ARG A 56 -11.536 -10.576 -3.853 1.00 0.00 N ATOM 0 H ARG A 56 -7.357 -5.757 -3.553 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.692 -7.061 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.051 -6.975 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.339 -8.099 -1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.402 -8.115 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.024 -9.439 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.517 -8.030 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.716 -9.583 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.602 -9.753 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.521 -9.440 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.102 -10.201 -6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.621 -10.682 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.285 -10.901 -4.465 1.00 0.00 H new ATOM 721 N VAL A 57 -8.792 -4.860 -0.638 1.00 0.00 N ATOM 722 CA VAL A 57 -9.214 -4.154 0.552 1.00 0.00 C ATOM 723 C VAL A 57 -10.453 -3.331 0.217 1.00 0.00 C ATOM 724 O VAL A 57 -11.422 -3.391 0.962 1.00 0.00 O ATOM 725 CB VAL A 57 -8.077 -3.265 1.070 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.511 -2.558 2.355 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.763 -4.011 1.352 1.00 0.00 C ATOM 0 H VAL A 57 -7.894 -4.550 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.461 -4.863 1.342 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.877 -2.558 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.698 -1.929 2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.386 -1.940 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.759 -3.301 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.015 -3.306 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.935 -4.778 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.406 -4.479 0.435 1.00 0.00 H new ATOM 737 N ALA A 58 -10.426 -2.561 -0.875 1.00 0.00 N ATOM 738 CA ALA A 58 -11.532 -1.694 -1.256 1.00 0.00 C ATOM 739 C ALA A 58 -12.814 -2.491 -1.426 1.00 0.00 C ATOM 740 O ALA A 58 -13.831 -2.112 -0.845 1.00 0.00 O ATOM 741 CB ALA A 58 -11.197 -0.949 -2.552 1.00 0.00 C ATOM 0 H ALA A 58 -9.634 -2.525 -1.516 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.686 -0.968 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.031 -0.304 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.304 -0.343 -2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.017 -1.670 -3.350 1.00 0.00 H new ATOM 747 N GLU A 59 -12.716 -3.585 -2.180 1.00 0.00 N ATOM 748 CA GLU A 59 -13.764 -4.547 -2.468 1.00 0.00 C ATOM 749 C GLU A 59 -14.368 -5.069 -1.157 1.00 0.00 C ATOM 750 O GLU A 59 -15.586 -5.025 -0.982 1.00 0.00 O ATOM 751 CB GLU A 59 -13.113 -5.669 -3.295 1.00 0.00 C ATOM 752 CG GLU A 59 -14.066 -6.781 -3.755 1.00 0.00 C ATOM 753 CD GLU A 59 -14.836 -6.448 -5.040 1.00 0.00 C ATOM 754 OE1 GLU A 59 -15.112 -5.263 -5.314 1.00 0.00 O ATOM 755 OE2 GLU A 59 -15.051 -7.404 -5.828 1.00 0.00 O ATOM 0 H GLU A 59 -11.838 -3.834 -2.635 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.585 -4.103 -3.031 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.646 -5.226 -4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.315 -6.118 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.493 -7.695 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.780 -6.986 -2.958 1.00 0.00 H new ATOM 762 N ASP A 60 -13.513 -5.522 -0.229 1.00 0.00 N ATOM 763 CA ASP A 60 -13.913 -6.123 1.043 1.00 0.00 C ATOM 764 C ASP A 60 -14.586 -5.091 1.934 1.00 0.00 C ATOM 765 O ASP A 60 -15.451 -5.404 2.756 1.00 0.00 O ATOM 766 CB ASP A 60 -12.669 -6.628 1.776 1.00 0.00 C ATOM 767 CG ASP A 60 -13.011 -7.451 3.017 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.893 -8.337 2.973 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.351 -7.244 4.063 1.00 0.00 O ATOM 0 H ASP A 60 -12.501 -5.478 -0.349 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.605 -6.939 0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.072 -7.235 1.095 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.053 -5.777 2.067 1.00 0.00 H new ATOM 774 N ARG A 61 -14.109 -3.851 1.828 1.00 0.00 N ATOM 775 CA ARG A 61 -14.566 -2.759 2.661 1.00 0.00 C ATOM 776 C ARG A 61 -15.875 -2.206 2.114 1.00 0.00 C ATOM 777 O ARG A 61 -16.935 -2.669 2.535 1.00 0.00 O ATOM 778 CB ARG A 61 -13.454 -1.701 2.761 1.00 0.00 C ATOM 779 CG ARG A 61 -12.418 -2.078 3.834 1.00 0.00 C ATOM 780 CD ARG A 61 -12.782 -1.309 5.112 1.00 0.00 C ATOM 781 NE ARG A 61 -11.926 -1.588 6.269 1.00 0.00 N ATOM 782 CZ ARG A 61 -12.006 -2.627 7.107 1.00 0.00 C ATOM 783 NH1 ARG A 61 -12.799 -3.665 6.855 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.280 -2.599 8.221 1.00 0.00 N ATOM 0 H ARG A 61 -13.391 -3.583 1.155 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.774 -3.104 3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.959 -1.598 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.892 -0.732 3.000 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.428 -3.153 4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.412 -1.820 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.742 -0.241 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.813 -1.543 5.377 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.185 -0.913 6.456 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.364 -3.681 6.006 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.842 -4.445 7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.681 -1.798 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.323 -3.379 8.877 1.00 0.00 H new ATOM 798 N ASN A 62 -15.792 -1.257 1.178 1.00 0.00 N ATOM 799 CA ASN A 62 -16.866 -0.549 0.469 1.00 0.00 C ATOM 800 C ASN A 62 -16.294 0.570 -0.422 1.00 0.00 C ATOM 801 O ASN A 62 -16.997 1.523 -0.760 1.00 0.00 O ATOM 802 CB ASN A 62 -17.897 0.060 1.440 1.00 0.00 C ATOM 803 CG ASN A 62 -19.303 -0.099 0.885 1.00 0.00 C ATOM 804 OD1 ASN A 62 -20.154 -0.740 1.504 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.562 0.424 -0.300 1.00 0.00 N ATOM 0 H ASN A 62 -14.878 -0.931 0.865 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.369 -1.291 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.825 -0.429 2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.678 1.116 1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.483 0.301 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.841 0.951 -0.793 1.00 0.00 H new ATOM 812 N LEU A 63 -14.983 0.568 -0.659 1.00 0.00 N ATOM 813 CA LEU A 63 -14.240 1.690 -1.242 1.00 0.00 C ATOM 814 C LEU A 63 -14.056 1.448 -2.740 1.00 0.00 C ATOM 815 O LEU A 63 -14.497 0.421 -3.259 1.00 0.00 O ATOM 816 CB LEU A 63 -12.878 1.874 -0.539 1.00 0.00 C ATOM 817 CG LEU A 63 -12.945 2.014 0.993 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.526 2.034 1.567 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.689 3.288 1.402 1.00 0.00 C ATOM 0 H LEU A 63 -14.390 -0.234 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.807 2.609 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.243 1.022 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.393 2.760 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.493 1.161 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.574 2.133 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.016 1.106 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.976 2.878 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.720 3.358 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.172 4.158 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.706 3.256 1.012 1.00 0.00 H new ATOM 831 N ASP A 64 -13.339 2.337 -3.429 1.00 0.00 N ATOM 832 CA ASP A 64 -12.935 2.119 -4.814 1.00 0.00 C ATOM 833 C ASP A 64 -11.427 2.305 -4.886 1.00 0.00 C ATOM 834 O ASP A 64 -10.862 3.267 -4.352 1.00 0.00 O ATOM 835 CB ASP A 64 -13.619 3.071 -5.804 1.00 0.00 C ATOM 836 CG ASP A 64 -15.141 2.974 -5.804 1.00 0.00 C ATOM 837 OD1 ASP A 64 -15.673 2.074 -6.490 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.793 3.809 -5.134 1.00 0.00 O ATOM 0 H ASP A 64 -13.024 3.226 -3.041 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.238 1.113 -5.103 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.330 4.095 -5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.251 2.861 -6.808 1.00 0.00 H new ATOM 843 N VAL A 65 -10.763 1.382 -5.571 1.00 0.00 N ATOM 844 CA VAL A 65 -9.314 1.348 -5.720 1.00 0.00 C ATOM 845 C VAL A 65 -8.764 2.608 -6.403 1.00 0.00 C ATOM 846 O VAL A 65 -7.669 3.072 -6.078 1.00 0.00 O ATOM 847 CB VAL A 65 -8.937 0.046 -6.439 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.506 0.014 -7.857 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.418 -0.121 -6.464 1.00 0.00 C ATOM 0 H VAL A 65 -11.232 0.614 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.841 1.353 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.373 -0.787 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.223 -0.920 -8.342 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.593 0.086 -7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.109 0.854 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.162 -1.048 -6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.968 0.721 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.039 -0.155 -5.443 1.00 0.00 H new ATOM 859 N GLU A 66 -9.527 3.172 -7.332 1.00 0.00 N ATOM 860 CA GLU A 66 -9.197 4.376 -8.075 1.00 0.00 C ATOM 861 C GLU A 66 -8.996 5.562 -7.132 1.00 0.00 C ATOM 862 O GLU A 66 -8.110 6.386 -7.351 1.00 0.00 O ATOM 863 CB GLU A 66 -10.271 4.633 -9.142 1.00 0.00 C ATOM 864 CG GLU A 66 -11.689 4.698 -8.569 1.00 0.00 C ATOM 865 CD GLU A 66 -12.771 4.469 -9.623 1.00 0.00 C ATOM 866 OE1 GLU A 66 -12.941 3.301 -10.047 1.00 0.00 O ATOM 867 OE2 GLU A 66 -13.447 5.460 -9.982 1.00 0.00 O ATOM 0 H GLU A 66 -10.432 2.783 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.248 4.239 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.049 5.570 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.225 3.843 -9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.792 3.950 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.843 5.672 -8.104 1.00 0.00 H new ATOM 874 N VAL A 67 -9.777 5.639 -6.055 1.00 0.00 N ATOM 875 CA VAL A 67 -9.644 6.704 -5.068 1.00 0.00 C ATOM 876 C VAL A 67 -8.415 6.442 -4.183 1.00 0.00 C ATOM 877 O VAL A 67 -7.643 7.357 -3.895 1.00 0.00 O ATOM 878 CB VAL A 67 -10.952 6.862 -4.269 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.895 8.157 -3.455 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.185 6.970 -5.184 1.00 0.00 C ATOM 0 H VAL A 67 -10.515 4.967 -5.845 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.476 7.658 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.044 5.978 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.819 8.272 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.050 8.118 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.775 9.005 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.082 7.080 -4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.080 7.838 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.267 6.069 -5.791 1.00 0.00 H new ATOM 890 N LEU A 68 -8.161 5.183 -3.806 1.00 0.00 N ATOM 891 CA LEU A 68 -6.975 4.822 -3.022 1.00 0.00 C ATOM 892 C LEU A 68 -5.684 5.172 -3.766 1.00 0.00 C ATOM 893 O LEU A 68 -4.689 5.539 -3.143 1.00 0.00 O ATOM 894 CB LEU A 68 -6.989 3.322 -2.686 1.00 0.00 C ATOM 895 CG LEU A 68 -8.068 2.934 -1.652 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.296 1.422 -1.612 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.660 3.376 -0.244 1.00 0.00 C ATOM 0 H LEU A 68 -8.765 4.393 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.005 5.399 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.153 2.754 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.010 3.034 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.984 3.437 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.062 1.189 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.622 1.077 -2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.367 0.921 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.436 3.091 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.722 2.894 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.531 4.458 -0.226 1.00 0.00 H new ATOM 909 N ASN A 69 -5.688 5.080 -5.100 1.00 0.00 N ATOM 910 CA ASN A 69 -4.541 5.433 -5.942 1.00 0.00 C ATOM 911 C ASN A 69 -4.146 6.896 -5.778 1.00 0.00 C ATOM 912 O ASN A 69 -2.964 7.223 -5.897 1.00 0.00 O ATOM 913 CB ASN A 69 -4.846 5.179 -7.425 1.00 0.00 C ATOM 914 CG ASN A 69 -4.439 3.787 -7.856 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.343 3.565 -8.370 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.290 2.818 -7.592 1.00 0.00 N ATOM 0 H ASN A 69 -6.496 4.755 -5.631 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.715 4.800 -5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.912 5.317 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.322 5.915 -8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.048 1.852 -7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.191 3.033 -7.165 1.00 0.00 H new ATOM 923 N GLN A 70 -5.119 7.774 -5.545 1.00 0.00 N ATOM 924 CA GLN A 70 -4.895 9.205 -5.425 1.00 0.00 C ATOM 925 C GLN A 70 -4.226 9.519 -4.092 1.00 0.00 C ATOM 926 O GLN A 70 -3.179 10.166 -4.076 1.00 0.00 O ATOM 927 CB GLN A 70 -6.218 9.934 -5.634 1.00 0.00 C ATOM 928 CG GLN A 70 -6.610 9.872 -7.118 1.00 0.00 C ATOM 929 CD GLN A 70 -8.093 10.121 -7.329 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.578 11.243 -7.210 1.00 0.00 O ATOM 931 NE2 GLN A 70 -8.845 9.089 -7.665 1.00 0.00 N ATOM 0 H GLN A 70 -6.096 7.504 -5.433 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.210 9.558 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.997 9.479 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.128 10.972 -5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.036 10.612 -7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.346 8.894 -7.521 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.428 8.163 -7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.843 9.218 -7.830 1.00 0.00 H new ATOM 940 N VAL A 71 -4.746 8.987 -2.982 1.00 0.00 N ATOM 941 CA VAL A 71 -4.091 9.133 -1.685 1.00 0.00 C ATOM 942 C VAL A 71 -2.670 8.547 -1.732 1.00 0.00 C ATOM 943 O VAL A 71 -1.736 9.150 -1.200 1.00 0.00 O ATOM 944 CB VAL A 71 -4.972 8.525 -0.585 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.259 8.586 0.763 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.288 9.303 -0.455 1.00 0.00 C ATOM 0 H VAL A 71 -5.615 8.454 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.972 10.189 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.173 7.490 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.897 8.151 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.326 8.026 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.044 9.625 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.899 8.857 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.073 10.341 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.828 9.265 -1.401 1.00 0.00 H new ATOM 956 N ARG A 72 -2.473 7.426 -2.438 1.00 0.00 N ATOM 957 CA ARG A 72 -1.166 6.796 -2.628 1.00 0.00 C ATOM 958 C ARG A 72 -0.127 7.742 -3.253 1.00 0.00 C ATOM 959 O ARG A 72 1.068 7.496 -3.085 1.00 0.00 O ATOM 960 CB ARG A 72 -1.368 5.467 -3.396 1.00 0.00 C ATOM 961 CG ARG A 72 -0.103 4.793 -3.966 1.00 0.00 C ATOM 962 CD ARG A 72 -0.234 3.262 -4.123 1.00 0.00 C ATOM 963 NE ARG A 72 0.690 2.698 -5.120 1.00 0.00 N ATOM 964 CZ ARG A 72 2.029 2.718 -5.087 1.00 0.00 C ATOM 965 NH1 ARG A 72 2.680 3.345 -4.109 1.00 0.00 N ATOM 966 NH2 ARG A 72 2.710 2.094 -6.040 1.00 0.00 N ATOM 0 H ARG A 72 -3.232 6.925 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.729 6.561 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.858 4.759 -2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.055 5.653 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.125 5.231 -4.938 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.741 5.012 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.051 2.788 -3.159 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.258 3.019 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 72 0.263 2.241 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.159 3.819 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.700 3.351 -4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.214 1.607 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.730 2.102 -6.026 1.00 0.00 H new ATOM 980 N ALA A 73 -0.544 8.808 -3.946 1.00 0.00 N ATOM 981 CA ALA A 73 0.343 9.799 -4.544 1.00 0.00 C ATOM 982 C ALA A 73 0.691 10.954 -3.594 1.00 0.00 C ATOM 983 O ALA A 73 1.631 11.697 -3.885 1.00 0.00 O ATOM 984 CB ALA A 73 -0.328 10.357 -5.804 1.00 0.00 C ATOM 0 H ALA A 73 -1.532 9.005 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 73 1.282 9.299 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.323 11.100 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.508 9.546 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.277 10.822 -5.536 1.00 0.00 H new ATOM 990 N GLN A 74 -0.048 11.154 -2.494 1.00 0.00 N ATOM 991 CA GLN A 74 0.184 12.276 -1.588 1.00 0.00 C ATOM 992 C GLN A 74 1.359 12.011 -0.653 1.00 0.00 C ATOM 993 O GLN A 74 2.097 12.944 -0.334 1.00 0.00 O ATOM 994 CB GLN A 74 -1.065 12.555 -0.739 1.00 0.00 C ATOM 995 CG GLN A 74 -2.369 12.625 -1.541 1.00 0.00 C ATOM 996 CD GLN A 74 -2.423 13.712 -2.613 1.00 0.00 C ATOM 997 OE1 GLN A 74 -1.649 14.672 -2.635 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.373 13.586 -3.518 1.00 0.00 N ATOM 0 H GLN A 74 -0.816 10.545 -2.213 1.00 0.00 H new ATOM 0 HA GLN A 74 0.413 13.142 -2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.158 11.775 0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.927 13.497 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.534 11.659 -2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.194 12.782 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.005 12.786 -3.486 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.476 14.288 -4.250 1.00 0.00 H new