USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 330 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 421 SER OG : rot 180:sc= 0 USER MOD Single : A 423 MET CE :methyl -164:sc= -0.0438 (180deg=-0.33) USER MOD Single : A 433 MET CE :methyl -152:sc= -0.06 (180deg=-1.13) USER MOD Single : A 434 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 436 GLN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 464 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 467 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.22) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 477 HIS : no HD1:sc= -0.0182 X(o=-0.018,f=0) USER MOD Single : A 482 MET CE :methyl 180:sc=-0.00317 (180deg=-0.00317) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.346 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -18.752 11.450 3.483 1.00 25.00 N ATOM 114 CA GLU A 419 -18.372 10.920 2.175 1.00 25.00 C ATOM 115 C GLU A 419 -16.941 11.338 1.828 1.00 25.00 C ATOM 116 O GLU A 419 -16.219 10.615 1.168 1.00 25.00 O ATOM 117 CB GLU A 419 -19.331 11.470 1.116 1.00 25.00 C ATOM 118 CG GLU A 419 -20.779 11.004 1.284 1.00 25.00 C ATOM 119 CD GLU A 419 -21.762 11.946 0.614 1.00 25.00 C ATOM 120 OE1 GLU A 419 -22.726 12.367 1.294 1.00 25.00 O ATOM 121 OE2 GLU A 419 -21.576 12.292 -0.564 1.00 25.00 O ATOM 0 HA GLU A 419 -18.425 9.832 2.201 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -19.305 12.559 1.148 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -18.976 11.171 0.130 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -20.889 10.005 0.862 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -21.015 10.929 2.346 1.00 25.00 H new ATOM 128 N VAL A 420 -16.533 12.513 2.291 1.00 25.00 N ATOM 129 CA VAL A 420 -15.191 13.025 2.012 1.00 25.00 C ATOM 130 C VAL A 420 -14.170 12.262 2.855 1.00 25.00 C ATOM 131 O VAL A 420 -13.026 12.077 2.456 1.00 25.00 O ATOM 132 CB VAL A 420 -15.101 14.556 2.307 1.00 25.00 C ATOM 133 CG1 VAL A 420 -13.743 15.126 1.867 1.00 25.00 C ATOM 134 CG2 VAL A 420 -16.219 15.297 1.569 1.00 25.00 C ATOM 0 H VAL A 420 -17.110 13.131 2.861 1.00 25.00 H new ATOM 0 HA VAL A 420 -14.974 12.876 0.954 1.00 25.00 H new ATOM 0 HB VAL A 420 -15.208 14.697 3.383 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -13.709 16.194 2.085 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -12.943 14.620 2.408 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -13.612 14.970 0.796 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -16.149 16.364 1.780 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -16.119 15.132 0.496 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -17.186 14.923 1.905 1.00 25.00 H new ATOM 144 N SER A 421 -14.588 11.799 4.022 1.00 25.00 N ATOM 145 CA SER A 421 -13.698 11.023 4.877 1.00 25.00 C ATOM 146 C SER A 421 -13.398 9.678 4.225 1.00 25.00 C ATOM 147 O SER A 421 -12.285 9.174 4.313 1.00 25.00 O ATOM 148 CB SER A 421 -14.336 10.799 6.242 1.00 25.00 C ATOM 149 OG SER A 421 -14.685 12.041 6.835 1.00 25.00 O ATOM 0 H SER A 421 -15.525 11.943 4.397 1.00 25.00 H new ATOM 0 HA SER A 421 -12.769 11.578 5.009 1.00 25.00 H new ATOM 0 HB2 SER A 421 -15.224 10.176 6.137 1.00 25.00 H new ATOM 0 HB3 SER A 421 -13.644 10.261 6.890 1.00 25.00 H new ATOM 0 HG SER A 421 -15.095 11.882 7.711 1.00 25.00 H new ATOM 155 N ASP A 422 -14.395 9.113 3.561 1.00 25.00 N ATOM 156 CA ASP A 422 -14.226 7.840 2.859 1.00 25.00 C ATOM 157 C ASP A 422 -13.424 8.064 1.579 1.00 25.00 C ATOM 158 O ASP A 422 -12.680 7.206 1.132 1.00 25.00 O ATOM 159 CB ASP A 422 -15.594 7.252 2.513 1.00 25.00 C ATOM 160 CG ASP A 422 -15.506 5.811 2.044 1.00 25.00 C ATOM 161 OD1 ASP A 422 -16.206 5.458 1.072 1.00 25.00 O ATOM 162 OD2 ASP A 422 -14.748 5.030 2.657 1.00 25.00 O ATOM 0 H ASP A 422 -15.331 9.512 3.491 1.00 25.00 H new ATOM 0 HA ASP A 422 -13.691 7.143 3.504 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -16.241 7.307 3.388 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -16.059 7.856 1.734 1.00 25.00 H new ATOM 167 N MET A 423 -13.565 9.247 1.003 1.00 25.00 N ATOM 168 CA MET A 423 -12.855 9.606 -0.226 1.00 25.00 C ATOM 169 C MET A 423 -11.339 9.569 -0.020 1.00 25.00 C ATOM 170 O MET A 423 -10.585 9.297 -0.947 1.00 25.00 O ATOM 171 CB MET A 423 -13.295 10.999 -0.678 1.00 25.00 C ATOM 172 CG MET A 423 -12.978 11.326 -2.124 1.00 25.00 C ATOM 173 SD MET A 423 -13.559 12.995 -2.561 1.00 25.00 S ATOM 174 CE MET A 423 -15.367 12.793 -2.513 1.00 25.00 C ATOM 0 H MET A 423 -14.169 9.984 1.366 1.00 25.00 H new ATOM 0 HA MET A 423 -13.103 8.877 -0.997 1.00 25.00 H new ATOM 0 HB2 MET A 423 -14.370 11.092 -0.526 1.00 25.00 H new ATOM 0 HB3 MET A 423 -12.817 11.741 -0.039 1.00 25.00 H new ATOM 0 HG2 MET A 423 -11.903 11.257 -2.288 1.00 25.00 H new ATOM 0 HG3 MET A 423 -13.448 10.591 -2.778 1.00 25.00 H new ATOM 0 HE1 MET A 423 -15.840 13.630 -3.026 1.00 25.00 H new ATOM 0 HE2 MET A 423 -15.642 11.862 -3.008 1.00 25.00 H new ATOM 0 HE3 MET A 423 -15.703 12.766 -1.476 1.00 25.00 H new ATOM 184 N ALA A 424 -10.893 9.824 1.202 1.00 25.00 N ATOM 185 CA ALA A 424 -9.467 9.763 1.516 1.00 25.00 C ATOM 186 C ALA A 424 -8.952 8.320 1.370 1.00 25.00 C ATOM 187 O ALA A 424 -7.805 8.092 0.982 1.00 25.00 O ATOM 188 CB ALA A 424 -9.226 10.278 2.939 1.00 25.00 C ATOM 0 H ALA A 424 -11.491 10.074 1.990 1.00 25.00 H new ATOM 0 HA ALA A 424 -8.920 10.396 0.817 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -8.161 10.230 3.168 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -9.568 11.310 3.015 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -9.777 9.660 3.648 1.00 25.00 H new ATOM 194 N ALA A 425 -9.809 7.352 1.669 1.00 25.00 N ATOM 195 CA ALA A 425 -9.443 5.947 1.541 1.00 25.00 C ATOM 196 C ALA A 425 -9.402 5.578 0.056 1.00 25.00 C ATOM 197 O ALA A 425 -8.552 4.800 -0.369 1.00 25.00 O ATOM 198 CB ALA A 425 -10.451 5.060 2.294 1.00 25.00 C ATOM 0 H ALA A 425 -10.760 7.513 2.001 1.00 25.00 H new ATOM 0 HA ALA A 425 -8.459 5.783 1.981 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -10.164 4.014 2.189 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -10.456 5.331 3.350 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -11.447 5.207 1.877 1.00 25.00 H new ATOM 204 N VAL A 426 -10.311 6.149 -0.725 1.00 25.00 N ATOM 205 CA VAL A 426 -10.349 5.907 -2.166 1.00 25.00 C ATOM 206 C VAL A 426 -9.059 6.425 -2.791 1.00 25.00 C ATOM 207 O VAL A 426 -8.449 5.739 -3.603 1.00 25.00 O ATOM 208 CB VAL A 426 -11.575 6.603 -2.832 1.00 25.00 C ATOM 209 CG1 VAL A 426 -11.590 6.360 -4.341 1.00 25.00 C ATOM 210 CG2 VAL A 426 -12.879 6.083 -2.217 1.00 25.00 C ATOM 0 H VAL A 426 -11.034 6.784 -0.386 1.00 25.00 H new ATOM 0 HA VAL A 426 -10.446 4.834 -2.334 1.00 25.00 H new ATOM 0 HB VAL A 426 -11.491 7.675 -2.652 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -12.455 6.856 -4.781 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -10.678 6.761 -4.783 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -11.648 5.289 -4.537 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -13.727 6.577 -2.691 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -12.952 5.007 -2.374 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -12.887 6.295 -1.148 1.00 25.00 H new ATOM 220 N GLU A 427 -8.635 7.619 -2.395 1.00 25.00 N ATOM 221 CA GLU A 427 -7.387 8.193 -2.897 1.00 25.00 C ATOM 222 C GLU A 427 -6.214 7.258 -2.628 1.00 25.00 C ATOM 223 O GLU A 427 -5.416 6.974 -3.513 1.00 25.00 O ATOM 224 CB GLU A 427 -7.095 9.534 -2.220 1.00 25.00 C ATOM 225 CG GLU A 427 -7.035 10.698 -3.185 1.00 25.00 C ATOM 226 CD GLU A 427 -6.240 11.877 -2.621 1.00 25.00 C ATOM 227 OE1 GLU A 427 -5.003 11.738 -2.449 1.00 25.00 O ATOM 228 OE2 GLU A 427 -6.842 12.943 -2.357 1.00 25.00 O ATOM 0 H GLU A 427 -9.134 8.209 -1.729 1.00 25.00 H new ATOM 0 HA GLU A 427 -7.507 8.338 -3.971 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -7.865 9.730 -1.474 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -6.146 9.464 -1.688 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -6.580 10.370 -4.120 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -8.048 11.025 -3.421 1.00 25.00 H new ATOM 235 N ALA A 428 -6.114 6.767 -1.401 1.00 25.00 N ATOM 236 CA ALA A 428 -5.014 5.882 -1.041 1.00 25.00 C ATOM 237 C ALA A 428 -5.060 4.601 -1.881 1.00 25.00 C ATOM 238 O ALA A 428 -4.023 4.109 -2.344 1.00 25.00 O ATOM 239 CB ALA A 428 -5.080 5.549 0.455 1.00 25.00 C ATOM 0 H ALA A 428 -6.772 6.963 -0.646 1.00 25.00 H new ATOM 0 HA ALA A 428 -4.071 6.389 -1.246 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -4.255 4.887 0.717 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -5.006 6.468 1.036 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -6.026 5.055 0.676 1.00 25.00 H new ATOM 245 N ALA A 429 -6.263 4.078 -2.077 1.00 25.00 N ATOM 246 CA ALA A 429 -6.457 2.851 -2.830 1.00 25.00 C ATOM 247 C ALA A 429 -6.077 3.016 -4.301 1.00 25.00 C ATOM 248 O ALA A 429 -5.368 2.182 -4.852 1.00 25.00 O ATOM 249 CB ALA A 429 -7.915 2.395 -2.712 1.00 25.00 C ATOM 0 H ALA A 429 -7.125 4.491 -1.720 1.00 25.00 H new ATOM 0 HA ALA A 429 -5.798 2.093 -2.405 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -8.055 1.474 -3.279 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -8.157 2.217 -1.664 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -8.572 3.169 -3.109 1.00 25.00 H new ATOM 255 N GLU A 430 -6.545 4.069 -4.954 1.00 25.00 N ATOM 256 CA GLU A 430 -6.243 4.241 -6.373 1.00 25.00 C ATOM 257 C GLU A 430 -4.763 4.551 -6.563 1.00 25.00 C ATOM 258 O GLU A 430 -4.157 4.132 -7.556 1.00 25.00 O ATOM 259 CB GLU A 430 -7.142 5.298 -7.037 1.00 25.00 C ATOM 260 CG GLU A 430 -6.916 6.736 -6.599 1.00 25.00 C ATOM 261 CD GLU A 430 -7.836 7.701 -7.332 1.00 25.00 C ATOM 262 OE1 GLU A 430 -9.055 7.702 -7.053 1.00 25.00 O ATOM 263 OE2 GLU A 430 -7.339 8.455 -8.198 1.00 25.00 O ATOM 0 H GLU A 430 -7.121 4.802 -4.540 1.00 25.00 H new ATOM 0 HA GLU A 430 -6.462 3.300 -6.878 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -6.999 5.241 -8.116 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -8.182 5.038 -6.839 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -7.083 6.819 -5.525 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -5.878 7.013 -6.783 1.00 25.00 H new ATOM 270 N LEU A 431 -4.162 5.253 -5.613 1.00 25.00 N ATOM 271 CA LEU A 431 -2.742 5.558 -5.699 1.00 25.00 C ATOM 272 C LEU A 431 -1.928 4.276 -5.638 1.00 25.00 C ATOM 273 O LEU A 431 -1.007 4.097 -6.431 1.00 25.00 O ATOM 274 CB LEU A 431 -2.311 6.505 -4.573 1.00 25.00 C ATOM 275 CG LEU A 431 -2.652 7.992 -4.780 1.00 25.00 C ATOM 276 CD1 LEU A 431 -2.453 8.754 -3.469 1.00 25.00 C ATOM 277 CD2 LEU A 431 -1.780 8.618 -5.878 1.00 25.00 C ATOM 0 H LEU A 431 -4.629 5.618 -4.783 1.00 25.00 H new ATOM 0 HA LEU A 431 -2.560 6.056 -6.652 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -2.776 6.171 -3.645 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -1.233 6.414 -4.440 1.00 25.00 H new ATOM 0 HG LEU A 431 -3.694 8.060 -5.093 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -2.695 9.806 -3.619 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -3.107 8.337 -2.703 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -1.415 8.663 -3.149 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -2.046 9.668 -5.999 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -0.730 8.540 -5.597 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -1.945 8.091 -6.818 1.00 25.00 H new ATOM 289 N GLU A 432 -2.230 3.375 -4.712 1.00 25.00 N ATOM 290 CA GLU A 432 -1.462 2.129 -4.634 1.00 25.00 C ATOM 291 C GLU A 432 -1.813 1.174 -5.770 1.00 25.00 C ATOM 292 O GLU A 432 -0.944 0.431 -6.246 1.00 25.00 O ATOM 293 CB GLU A 432 -1.570 1.458 -3.258 1.00 25.00 C ATOM 294 CG GLU A 432 -2.891 0.781 -2.936 1.00 25.00 C ATOM 295 CD GLU A 432 -2.861 0.107 -1.571 1.00 25.00 C ATOM 296 OE1 GLU A 432 -3.838 -0.584 -1.222 1.00 25.00 O ATOM 297 OE2 GLU A 432 -1.848 0.264 -0.849 1.00 25.00 O ATOM 0 H GLU A 432 -2.976 3.472 -4.023 1.00 25.00 H new ATOM 0 HA GLU A 432 -0.414 2.400 -4.759 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -0.777 0.714 -3.178 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -1.378 2.212 -2.495 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -3.693 1.519 -2.960 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -3.116 0.040 -3.703 1.00 25.00 H new ATOM 304 N MET A 433 -3.059 1.192 -6.229 1.00 25.00 N ATOM 305 CA MET A 433 -3.451 0.347 -7.350 1.00 25.00 C ATOM 306 C MET A 433 -2.682 0.764 -8.584 1.00 25.00 C ATOM 307 O MET A 433 -2.213 -0.086 -9.310 1.00 25.00 O ATOM 308 CB MET A 433 -4.953 0.418 -7.633 1.00 25.00 C ATOM 309 CG MET A 433 -5.758 -0.553 -6.786 1.00 25.00 C ATOM 310 SD MET A 433 -7.500 -0.648 -7.281 1.00 25.00 S ATOM 311 CE MET A 433 -8.154 0.918 -6.678 1.00 25.00 C ATOM 0 H MET A 433 -3.806 1.774 -5.849 1.00 25.00 H new ATOM 0 HA MET A 433 -3.217 -0.684 -7.085 1.00 25.00 H new ATOM 0 HB2 MET A 433 -5.305 1.433 -7.448 1.00 25.00 H new ATOM 0 HB3 MET A 433 -5.130 0.206 -8.688 1.00 25.00 H new ATOM 0 HG2 MET A 433 -5.311 -1.545 -6.856 1.00 25.00 H new ATOM 0 HG3 MET A 433 -5.699 -0.250 -5.741 1.00 25.00 H new ATOM 0 HE1 MET A 433 -9.215 0.807 -6.454 1.00 25.00 H new ATOM 0 HE2 MET A 433 -7.621 1.211 -5.774 1.00 25.00 H new ATOM 0 HE3 MET A 433 -8.023 1.685 -7.441 1.00 25.00 H new ATOM 321 N THR A 434 -2.526 2.062 -8.813 1.00 25.00 N ATOM 322 CA THR A 434 -1.766 2.552 -9.971 1.00 25.00 C ATOM 323 C THR A 434 -0.334 2.013 -9.952 1.00 25.00 C ATOM 324 O THR A 434 0.217 1.633 -10.980 1.00 25.00 O ATOM 325 CB THR A 434 -1.715 4.102 -9.991 1.00 25.00 C ATOM 326 OG1 THR A 434 -3.046 4.619 -10.017 1.00 25.00 O ATOM 327 CG2 THR A 434 -0.993 4.621 -11.232 1.00 25.00 C ATOM 0 H THR A 434 -2.911 2.796 -8.219 1.00 25.00 H new ATOM 0 HA THR A 434 -2.278 2.196 -10.865 1.00 25.00 H new ATOM 0 HB THR A 434 -1.179 4.426 -9.099 1.00 25.00 H new ATOM 0 HG1 THR A 434 -3.470 4.475 -9.145 1.00 25.00 H new ATOM 0 HG21 THR A 434 -0.976 5.711 -11.214 1.00 25.00 H new ATOM 0 HG22 THR A 434 0.029 4.242 -11.244 1.00 25.00 H new ATOM 0 HG23 THR A 434 -1.516 4.281 -12.126 1.00 25.00 H new ATOM 335 N ARG A 435 0.268 1.967 -8.776 1.00 25.00 N ATOM 336 CA ARG A 435 1.650 1.480 -8.636 1.00 25.00 C ATOM 337 C ARG A 435 1.722 0.020 -9.011 1.00 25.00 C ATOM 338 O ARG A 435 2.606 -0.408 -9.739 1.00 25.00 O ATOM 339 CB ARG A 435 2.143 1.667 -7.200 1.00 25.00 C ATOM 340 CG ARG A 435 2.171 3.109 -6.798 1.00 25.00 C ATOM 341 CD ARG A 435 2.616 3.321 -5.355 1.00 25.00 C ATOM 342 NE ARG A 435 2.436 4.734 -4.961 1.00 25.00 N ATOM 343 CZ ARG A 435 1.560 5.188 -4.064 1.00 25.00 C ATOM 344 NH1 ARG A 435 0.765 4.400 -3.385 1.00 25.00 N ATOM 345 NH2 ARG A 435 1.492 6.471 -3.841 1.00 25.00 N ATOM 0 H ARG A 435 -0.168 2.258 -7.901 1.00 25.00 H new ATOM 0 HA ARG A 435 2.289 2.058 -9.304 1.00 25.00 H new ATOM 0 HB2 ARG A 435 1.495 1.114 -6.520 1.00 25.00 H new ATOM 0 HB3 ARG A 435 3.143 1.244 -7.102 1.00 25.00 H new ATOM 0 HG2 ARG A 435 2.843 3.652 -7.462 1.00 25.00 H new ATOM 0 HG3 ARG A 435 1.177 3.536 -6.932 1.00 25.00 H new ATOM 0 HD2 ARG A 435 2.040 2.676 -4.692 1.00 25.00 H new ATOM 0 HD3 ARG A 435 3.663 3.037 -5.245 1.00 25.00 H new ATOM 0 HE ARG A 435 3.035 5.423 -5.416 1.00 25.00 H new ATOM 0 HH11 ARG A 435 0.800 3.391 -3.532 1.00 25.00 H new ATOM 0 HH12 ARG A 435 0.111 4.795 -2.709 1.00 25.00 H new ATOM 0 HH21 ARG A 435 2.103 7.110 -4.349 1.00 25.00 H new ATOM 0 HH22 ARG A 435 0.828 6.835 -3.158 1.00 25.00 H new ATOM 359 N GLN A 436 0.769 -0.739 -8.512 1.00 25.00 N ATOM 360 CA GLN A 436 0.696 -2.169 -8.817 1.00 25.00 C ATOM 361 C GLN A 436 0.423 -2.389 -10.310 1.00 25.00 C ATOM 362 O GLN A 436 1.001 -3.268 -10.941 1.00 25.00 O ATOM 363 CB GLN A 436 -0.367 -2.836 -7.978 1.00 25.00 C ATOM 364 CG GLN A 436 0.188 -3.218 -6.629 1.00 25.00 C ATOM 365 CD GLN A 436 -0.882 -3.404 -5.625 1.00 25.00 C ATOM 366 OE1 GLN A 436 -1.211 -4.512 -5.241 1.00 25.00 O ATOM 367 NE2 GLN A 436 -1.445 -2.324 -5.196 1.00 25.00 N ATOM 0 H GLN A 436 0.032 -0.399 -7.894 1.00 25.00 H new ATOM 0 HA GLN A 436 1.658 -2.621 -8.575 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -1.215 -2.163 -7.852 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -0.739 -3.724 -8.490 1.00 25.00 H new ATOM 0 HG2 GLN A 436 0.764 -4.139 -6.721 1.00 25.00 H new ATOM 0 HG3 GLN A 436 0.876 -2.445 -6.287 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -1.138 -1.416 -5.545 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -2.197 -2.379 -4.509 1.00 25.00 H new ATOM 376 N VAL A 437 -0.456 -1.565 -10.856 1.00 25.00 N ATOM 377 CA VAL A 437 -0.843 -1.600 -12.265 1.00 25.00 C ATOM 378 C VAL A 437 0.357 -1.365 -13.182 1.00 25.00 C ATOM 379 O VAL A 437 0.470 -1.988 -14.233 1.00 25.00 O ATOM 380 CB VAL A 437 -1.975 -0.536 -12.500 1.00 25.00 C ATOM 381 CG1 VAL A 437 -1.898 0.125 -13.865 1.00 25.00 C ATOM 382 CG2 VAL A 437 -3.353 -1.179 -12.277 1.00 25.00 C ATOM 0 H VAL A 437 -0.933 -0.836 -10.325 1.00 25.00 H new ATOM 0 HA VAL A 437 -1.225 -2.590 -12.513 1.00 25.00 H new ATOM 0 HB VAL A 437 -1.824 0.260 -11.771 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -2.707 0.849 -13.965 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -0.940 0.634 -13.969 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -1.992 -0.633 -14.642 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -4.133 -0.435 -12.442 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -3.486 -2.005 -12.975 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -3.419 -1.553 -11.255 1.00 25.00 H new ATOM 392 N LEU A 438 1.269 -0.490 -12.782 1.00 25.00 N ATOM 393 CA LEU A 438 2.457 -0.207 -13.590 1.00 25.00 C ATOM 394 C LEU A 438 3.377 -1.426 -13.699 1.00 25.00 C ATOM 395 O LEU A 438 4.159 -1.534 -14.641 1.00 25.00 O ATOM 396 CB LEU A 438 3.221 0.982 -13.000 1.00 25.00 C ATOM 397 CG LEU A 438 2.583 2.360 -13.245 1.00 25.00 C ATOM 398 CD1 LEU A 438 3.265 3.404 -12.365 1.00 25.00 C ATOM 399 CD2 LEU A 438 2.686 2.774 -14.717 1.00 25.00 C ATOM 0 H LEU A 438 1.214 0.035 -11.909 1.00 25.00 H new ATOM 0 HA LEU A 438 2.122 0.041 -14.597 1.00 25.00 H new ATOM 0 HB2 LEU A 438 3.320 0.832 -11.925 1.00 25.00 H new ATOM 0 HB3 LEU A 438 4.229 0.987 -13.415 1.00 25.00 H new ATOM 0 HG LEU A 438 1.526 2.294 -12.989 1.00 25.00 H new ATOM 0 HD11 LEU A 438 2.812 4.380 -12.540 1.00 25.00 H new ATOM 0 HD12 LEU A 438 3.145 3.131 -11.317 1.00 25.00 H new ATOM 0 HD13 LEU A 438 4.326 3.448 -12.609 1.00 25.00 H new ATOM 0 HD21 LEU A 438 2.225 3.752 -14.853 1.00 25.00 H new ATOM 0 HD22 LEU A 438 3.735 2.824 -15.008 1.00 25.00 H new ATOM 0 HD23 LEU A 438 2.171 2.041 -15.338 1.00 25.00 H new ATOM 720 N ALA A 462 -17.737 -32.597 -45.274 1.00 25.00 N ATOM 721 CA ALA A 462 -16.705 -33.088 -44.374 1.00 25.00 C ATOM 722 C ALA A 462 -17.307 -33.620 -43.068 1.00 25.00 C ATOM 723 O ALA A 462 -16.858 -34.640 -42.559 1.00 25.00 O ATOM 724 CB ALA A 462 -15.702 -31.974 -44.078 1.00 25.00 C ATOM 0 HA ALA A 462 -16.193 -33.915 -44.865 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -14.932 -32.348 -43.404 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.240 -31.643 -45.008 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.217 -31.135 -43.611 1.00 25.00 H new ATOM 730 N LEU A 463 -18.322 -32.951 -42.528 1.00 25.00 N ATOM 731 CA LEU A 463 -18.936 -33.403 -41.280 1.00 25.00 C ATOM 732 C LEU A 463 -19.601 -34.757 -41.473 1.00 25.00 C ATOM 733 O LEU A 463 -19.592 -35.575 -40.571 1.00 25.00 O ATOM 734 CB LEU A 463 -19.909 -32.350 -40.722 1.00 25.00 C ATOM 735 CG LEU A 463 -21.427 -32.461 -40.973 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.136 -33.414 -40.011 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.031 -31.089 -40.820 1.00 25.00 C ATOM 0 H LEU A 463 -18.733 -32.107 -42.926 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.151 -33.528 -40.534 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.765 -32.322 -39.642 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.591 -31.383 -41.111 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.561 -32.864 -41.977 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.200 -33.443 -40.246 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.715 -34.414 -40.113 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.000 -33.066 -38.987 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.106 -31.143 -40.993 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -21.844 -30.720 -39.812 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.580 -30.410 -41.544 1.00 25.00 H new ATOM 749 N GLN A 464 -20.156 -35.016 -42.649 1.00 25.00 N ATOM 750 CA GLN A 464 -20.749 -36.334 -42.911 1.00 25.00 C ATOM 751 C GLN A 464 -19.691 -37.425 -42.750 1.00 25.00 C ATOM 752 O GLN A 464 -19.969 -38.512 -42.248 1.00 25.00 O ATOM 753 CB GLN A 464 -21.371 -36.408 -44.309 1.00 25.00 C ATOM 754 CG GLN A 464 -22.615 -35.541 -44.480 1.00 25.00 C ATOM 755 CD GLN A 464 -23.706 -35.887 -43.488 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.995 -35.124 -42.586 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.313 -37.035 -43.650 1.00 25.00 N ATOM 0 H GLN A 464 -20.212 -34.354 -43.423 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.546 -36.490 -42.184 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.625 -36.105 -45.044 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.630 -37.444 -44.526 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -22.342 -34.492 -44.363 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.999 -35.659 -45.493 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.044 -37.650 -44.418 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.055 -37.315 -43.008 1.00 25.00 H new ATOM 766 N GLY A 465 -18.472 -37.112 -43.151 1.00 25.00 N ATOM 767 CA GLY A 465 -17.366 -38.031 -42.972 1.00 25.00 C ATOM 768 C GLY A 465 -17.012 -38.110 -41.501 1.00 25.00 C ATOM 769 O GLY A 465 -16.791 -39.192 -40.980 1.00 25.00 O ATOM 0 H GLY A 465 -18.225 -36.231 -43.601 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.635 -39.019 -43.346 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.503 -37.696 -43.548 1.00 25.00 H new ATOM 773 N ALA A 466 -16.979 -36.962 -40.831 1.00 25.00 N ATOM 774 CA ALA A 466 -16.642 -36.882 -39.405 1.00 25.00 C ATOM 775 C ALA A 466 -17.512 -37.817 -38.559 1.00 25.00 C ATOM 776 O ALA A 466 -17.031 -38.457 -37.637 1.00 25.00 O ATOM 777 CB ALA A 466 -16.790 -35.441 -38.906 1.00 25.00 C ATOM 0 H ALA A 466 -17.184 -36.058 -41.257 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.606 -37.202 -39.296 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.537 -35.395 -37.847 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.119 -34.791 -39.468 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.819 -35.111 -39.048 1.00 25.00 H new ATOM 783 N GLN A 467 -18.788 -37.898 -38.887 1.00 25.00 N ATOM 784 CA GLN A 467 -19.708 -38.771 -38.165 1.00 25.00 C ATOM 785 C GLN A 467 -19.347 -40.248 -38.334 1.00 25.00 C ATOM 786 O GLN A 467 -19.381 -41.021 -37.382 1.00 25.00 O ATOM 787 CB GLN A 467 -21.114 -38.560 -38.704 1.00 25.00 C ATOM 788 CG GLN A 467 -21.675 -37.152 -38.484 1.00 25.00 C ATOM 789 CD GLN A 467 -21.818 -36.779 -37.026 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.216 -37.580 -36.200 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.501 -35.549 -36.711 1.00 25.00 N ATOM 0 H GLN A 467 -19.216 -37.371 -39.649 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.644 -38.519 -37.106 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.116 -38.775 -39.773 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.782 -39.281 -38.233 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.022 -36.429 -38.973 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.650 -37.079 -38.967 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.171 -34.907 -37.432 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.584 -35.232 -35.745 1.00 25.00 H new ATOM 800 N ALA A 468 -19.009 -40.643 -39.554 1.00 25.00 N ATOM 801 CA ALA A 468 -18.686 -42.037 -39.837 1.00 25.00 C ATOM 802 C ALA A 468 -17.348 -42.430 -39.204 1.00 25.00 C ATOM 803 O ALA A 468 -17.218 -43.492 -38.594 1.00 25.00 O ATOM 804 CB ALA A 468 -18.646 -42.262 -41.356 1.00 25.00 C ATOM 0 H ALA A 468 -18.951 -40.022 -40.361 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.461 -42.668 -39.401 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -18.404 -43.304 -41.563 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.619 -42.023 -41.785 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.886 -41.618 -41.799 1.00 25.00 H new ATOM 810 N VAL A 469 -16.354 -41.564 -39.340 1.00 25.00 N ATOM 811 CA VAL A 469 -15.023 -41.841 -38.796 1.00 25.00 C ATOM 812 C VAL A 469 -15.051 -41.831 -37.281 1.00 25.00 C ATOM 813 O VAL A 469 -14.238 -42.483 -36.656 1.00 25.00 O ATOM 814 CB VAL A 469 -13.926 -40.873 -39.324 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.895 -40.904 -40.847 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.159 -39.457 -38.844 1.00 25.00 C ATOM 0 H VAL A 469 -16.438 -40.667 -39.819 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.753 -42.837 -39.148 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.966 -41.208 -38.932 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -13.124 -40.224 -41.209 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.674 -41.916 -41.186 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.865 -40.595 -41.237 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.374 -38.808 -39.232 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.128 -39.107 -39.200 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.143 -39.435 -37.754 1.00 25.00 H new ATOM 826 N ALA A 470 -15.974 -41.086 -36.685 1.00 25.00 N ATOM 827 CA ALA A 470 -16.080 -41.017 -35.224 1.00 25.00 C ATOM 828 C ALA A 470 -16.216 -42.413 -34.604 1.00 25.00 C ATOM 829 O ALA A 470 -15.718 -42.654 -33.504 1.00 25.00 O ATOM 830 CB ALA A 470 -17.263 -40.134 -34.811 1.00 25.00 C ATOM 0 H ALA A 470 -16.660 -40.521 -37.185 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.159 -40.572 -34.847 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.326 -40.095 -33.724 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.120 -39.127 -35.203 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.186 -40.551 -35.213 1.00 25.00 H new ATOM 836 N ALA A 471 -16.865 -43.334 -35.308 1.00 25.00 N ATOM 837 CA ALA A 471 -16.997 -44.705 -34.821 1.00 25.00 C ATOM 838 C ALA A 471 -15.613 -45.371 -34.742 1.00 25.00 C ATOM 839 O ALA A 471 -15.326 -46.112 -33.810 1.00 25.00 O ATOM 840 CB ALA A 471 -17.929 -45.502 -35.740 1.00 25.00 C ATOM 0 H ALA A 471 -17.305 -43.160 -36.211 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.430 -44.688 -33.821 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.021 -46.523 -35.368 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.912 -45.032 -35.757 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.518 -45.519 -36.749 1.00 25.00 H new ATOM 846 N ALA A 472 -14.760 -45.092 -35.715 1.00 25.00 N ATOM 847 CA ALA A 472 -13.396 -45.615 -35.723 1.00 25.00 C ATOM 848 C ALA A 472 -12.536 -44.909 -34.667 1.00 25.00 C ATOM 849 O ALA A 472 -11.644 -45.507 -34.088 1.00 25.00 O ATOM 850 CB ALA A 472 -12.775 -45.452 -37.118 1.00 25.00 C ATOM 0 H ALA A 472 -14.987 -44.503 -36.516 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.432 -46.676 -35.477 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.758 -45.845 -37.112 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.371 -45.999 -37.848 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.754 -44.396 -37.386 1.00 25.00 H new ATOM 856 N GLN A 473 -12.806 -43.637 -34.418 1.00 25.00 N ATOM 857 CA GLN A 473 -12.037 -42.874 -33.439 1.00 25.00 C ATOM 858 C GLN A 473 -12.318 -43.345 -32.023 1.00 25.00 C ATOM 859 O GLN A 473 -11.405 -43.549 -31.231 1.00 25.00 O ATOM 860 CB GLN A 473 -12.362 -41.379 -33.526 1.00 25.00 C ATOM 861 CG GLN A 473 -12.043 -40.726 -34.867 1.00 25.00 C ATOM 862 CD GLN A 473 -10.560 -40.540 -35.115 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.739 -40.689 -34.229 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.215 -40.214 -36.334 1.00 25.00 N ATOM 0 H GLN A 473 -13.549 -43.110 -34.877 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.985 -43.037 -33.673 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.422 -41.240 -33.315 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.810 -40.857 -32.744 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.463 -41.336 -35.667 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.535 -39.755 -34.915 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.930 -40.097 -37.052 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.231 -40.077 -36.566 1.00 25.00 H new ATOM 873 N ARG A 474 -13.585 -43.538 -31.692 1.00 25.00 N ATOM 874 CA ARG A 474 -13.925 -44.042 -30.356 1.00 25.00 C ATOM 875 C ARG A 474 -13.378 -45.456 -30.194 1.00 25.00 C ATOM 876 O ARG A 474 -13.092 -45.897 -29.091 1.00 25.00 O ATOM 877 CB ARG A 474 -15.436 -44.004 -30.095 1.00 25.00 C ATOM 878 CG ARG A 474 -16.274 -44.901 -30.988 1.00 25.00 C ATOM 879 CD ARG A 474 -17.756 -44.737 -30.711 1.00 25.00 C ATOM 880 NE ARG A 474 -18.113 -45.199 -29.356 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.328 -45.142 -28.821 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.356 -44.648 -29.467 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.509 -45.592 -27.610 1.00 25.00 N ATOM 0 H ARG A 474 -14.381 -43.361 -32.305 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.464 -43.389 -29.615 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.615 -44.284 -29.057 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.782 -42.977 -30.213 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.071 -44.667 -32.033 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -15.987 -45.941 -30.832 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.033 -43.689 -30.823 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.328 -45.298 -31.449 1.00 25.00 H new ATOM 0 HE ARG A 474 -17.367 -45.594 -28.784 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.239 -44.290 -30.415 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.273 -44.622 -29.022 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.724 -45.981 -27.088 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -20.436 -45.555 -27.185 1.00 25.00 H new ATOM 897 N LEU A 475 -13.228 -46.149 -31.311 1.00 25.00 N ATOM 898 CA LEU A 475 -12.671 -47.494 -31.324 1.00 25.00 C ATOM 899 C LEU A 475 -11.163 -47.455 -31.057 1.00 25.00 C ATOM 900 O LEU A 475 -10.683 -48.180 -30.200 1.00 25.00 O ATOM 901 CB LEU A 475 -12.977 -48.161 -32.678 1.00 25.00 C ATOM 902 CG LEU A 475 -11.917 -49.084 -33.299 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.772 -50.377 -32.485 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.284 -49.427 -34.728 1.00 25.00 C ATOM 0 H LEU A 475 -13.488 -45.797 -32.233 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.131 -48.083 -30.530 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.893 -48.740 -32.562 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.189 -47.369 -33.397 1.00 25.00 H new ATOM 0 HG LEU A 475 -10.966 -48.552 -33.289 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.016 -51.014 -32.945 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.471 -50.134 -31.466 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.726 -50.903 -32.465 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.522 -50.081 -35.152 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.248 -49.935 -34.744 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.346 -48.512 -35.317 1.00 25.00 H new ATOM 916 N VAL A 476 -10.412 -46.629 -31.776 1.00 25.00 N ATOM 917 CA VAL A 476 -8.955 -46.606 -31.597 1.00 25.00 C ATOM 918 C VAL A 476 -8.635 -46.151 -30.180 1.00 25.00 C ATOM 919 O VAL A 476 -7.713 -46.657 -29.534 1.00 25.00 O ATOM 920 CB VAL A 476 -8.230 -45.747 -32.682 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.663 -44.303 -32.665 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.707 -45.850 -32.526 1.00 25.00 C ATOM 0 H VAL A 476 -10.771 -45.978 -32.474 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.569 -47.616 -31.736 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.519 -46.156 -33.650 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.127 -43.753 -33.439 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.735 -44.242 -32.853 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.440 -43.868 -31.691 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.221 -45.245 -33.291 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.417 -45.489 -31.539 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.399 -46.890 -32.637 1.00 25.00 H new ATOM 932 N HIS A 477 -9.426 -45.216 -29.685 1.00 25.00 N ATOM 933 CA HIS A 477 -9.273 -44.721 -28.344 1.00 25.00 C ATOM 934 C HIS A 477 -9.523 -45.840 -27.345 1.00 25.00 C ATOM 935 O HIS A 477 -8.865 -45.906 -26.326 1.00 25.00 O ATOM 936 CB HIS A 477 -10.246 -43.571 -28.115 1.00 25.00 C ATOM 937 CG HIS A 477 -9.966 -42.796 -26.867 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.856 -41.952 -26.253 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.844 -42.742 -26.102 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.266 -41.441 -25.174 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.037 -41.893 -25.032 1.00 25.00 N ATOM 0 H HIS A 477 -10.189 -44.784 -30.206 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.255 -44.357 -28.203 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.207 -42.896 -28.970 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.260 -43.967 -28.068 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.933 -43.285 -26.303 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.737 -40.742 -24.499 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.373 -41.665 -24.292 1.00 25.00 H new ATOM 949 N ALA A 478 -10.461 -46.734 -27.638 1.00 25.00 N ATOM 950 CA ALA A 478 -10.758 -47.824 -26.721 1.00 25.00 C ATOM 951 C ALA A 478 -9.509 -48.669 -26.481 1.00 25.00 C ATOM 952 O ALA A 478 -9.195 -48.995 -25.347 1.00 25.00 O ATOM 953 CB ALA A 478 -11.899 -48.692 -27.262 1.00 25.00 C ATOM 0 H ALA A 478 -11.021 -46.726 -28.491 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.077 -47.397 -25.770 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.105 -49.501 -26.561 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.794 -48.082 -27.385 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.611 -49.112 -28.226 1.00 25.00 H new ATOM 959 N ILE A 479 -8.788 -49.015 -27.539 1.00 25.00 N ATOM 960 CA ILE A 479 -7.593 -49.851 -27.388 1.00 25.00 C ATOM 961 C ILE A 479 -6.502 -49.061 -26.692 1.00 25.00 C ATOM 962 O ILE A 479 -5.750 -49.605 -25.902 1.00 25.00 O ATOM 963 CB ILE A 479 -7.039 -50.360 -28.739 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.144 -51.034 -29.558 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.890 -51.374 -28.521 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.333 -50.365 -30.858 1.00 25.00 C ATOM 0 H ILE A 479 -9.000 -48.738 -28.498 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.892 -50.718 -26.799 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.658 -49.495 -29.281 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.892 -52.082 -29.720 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.079 -51.014 -28.997 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.519 -51.716 -29.487 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.081 -50.894 -27.970 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.260 -52.227 -27.952 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.124 -50.868 -31.414 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.610 -49.324 -30.694 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.405 -50.408 -31.428 1.00 25.00 H new ATOM 978 N ALA A 480 -6.432 -47.768 -26.970 1.00 25.00 N ATOM 979 CA ALA A 480 -5.433 -46.909 -26.350 1.00 25.00 C ATOM 980 C ALA A 480 -5.604 -46.951 -24.820 1.00 25.00 C ATOM 981 O ALA A 480 -4.653 -46.766 -24.064 1.00 25.00 O ATOM 982 CB ALA A 480 -5.579 -45.471 -26.897 1.00 25.00 C ATOM 0 H ALA A 480 -7.055 -47.290 -27.621 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.430 -47.261 -26.590 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.831 -44.828 -26.433 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.433 -45.476 -27.977 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.575 -45.094 -26.667 1.00 25.00 H new ATOM 988 N LEU A 481 -6.825 -47.208 -24.372 1.00 25.00 N ATOM 989 CA LEU A 481 -7.099 -47.355 -22.938 1.00 25.00 C ATOM 990 C LEU A 481 -6.736 -48.740 -22.469 1.00 25.00 C ATOM 991 O LEU A 481 -6.139 -48.911 -21.425 1.00 25.00 O ATOM 992 CB LEU A 481 -8.557 -47.074 -22.621 1.00 25.00 C ATOM 993 CG LEU A 481 -8.914 -45.669 -23.077 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.406 -45.594 -23.335 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.483 -44.603 -22.080 1.00 25.00 C ATOM 0 H LEU A 481 -7.642 -47.320 -24.972 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.485 -46.624 -22.411 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -9.196 -47.803 -23.120 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.733 -47.176 -21.550 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.367 -45.464 -23.998 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.668 -44.588 -23.663 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.678 -46.311 -24.110 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.946 -45.829 -22.418 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.763 -43.619 -22.456 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.975 -44.779 -21.123 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.402 -44.646 -21.945 1.00 25.00 H new ATOM 1007 N MET A 482 -7.095 -49.741 -23.255 1.00 25.00 N ATOM 1008 CA MET A 482 -6.810 -51.129 -22.893 1.00 25.00 C ATOM 1009 C MET A 482 -5.341 -51.371 -22.715 1.00 25.00 C ATOM 1010 O MET A 482 -4.940 -52.268 -21.984 1.00 25.00 O ATOM 1011 CB MET A 482 -7.315 -52.088 -23.965 1.00 25.00 C ATOM 1012 CG MET A 482 -8.769 -51.969 -24.129 1.00 25.00 C ATOM 1013 SD MET A 482 -9.570 -53.432 -24.797 1.00 25.00 S ATOM 1014 CE MET A 482 -9.327 -53.170 -26.548 1.00 25.00 C ATOM 0 H MET A 482 -7.582 -49.625 -24.144 1.00 25.00 H new ATOM 0 HA MET A 482 -7.325 -51.309 -21.949 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.819 -51.875 -24.912 1.00 25.00 H new ATOM 0 HB3 MET A 482 -7.058 -53.112 -23.694 1.00 25.00 H new ATOM 0 HG2 MET A 482 -9.213 -51.738 -23.160 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.979 -51.124 -24.785 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.770 -53.996 -27.104 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.803 -52.236 -26.846 1.00 25.00 H new ATOM 0 HE3 MET A 482 -8.260 -53.118 -26.763 1.00 25.00 H new ATOM 1024 N THR A 483 -4.525 -50.583 -23.381 1.00 25.00 N ATOM 1025 CA THR A 483 -3.090 -50.828 -23.311 1.00 25.00 C ATOM 1026 C THR A 483 -2.535 -50.303 -21.995 1.00 25.00 C ATOM 1027 O THR A 483 -1.664 -50.924 -21.388 1.00 25.00 O ATOM 1028 CB THR A 483 -2.375 -50.226 -24.516 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.740 -48.852 -24.643 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.796 -50.961 -25.790 1.00 25.00 C ATOM 0 H THR A 483 -4.810 -49.793 -23.959 1.00 25.00 H new ATOM 0 HA THR A 483 -2.911 -51.903 -23.343 1.00 25.00 H new ATOM 0 HB THR A 483 -1.298 -50.320 -24.374 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.281 -48.462 -25.416 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.282 -50.527 -26.647 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.533 -52.015 -25.705 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.873 -50.865 -25.926 1.00 25.00 H new ATOM 1038 N GLN A 484 -3.054 -49.174 -21.534 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.610 -48.609 -20.262 1.00 25.00 C ATOM 1040 C GLN A 484 -3.335 -49.240 -19.069 1.00 25.00 C ATOM 1041 O GLN A 484 -2.803 -49.245 -17.967 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.757 -47.079 -20.260 1.00 25.00 C ATOM 1043 CG GLN A 484 -4.165 -46.568 -20.505 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.214 -45.068 -20.655 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.090 -44.334 -19.693 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.395 -44.610 -21.866 1.00 25.00 N ATOM 0 H GLN A 484 -3.775 -48.634 -22.013 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.552 -48.848 -20.152 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -2.410 -46.697 -19.300 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.099 -46.665 -21.024 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.566 -47.034 -21.405 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.807 -46.869 -19.677 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.495 -45.259 -22.647 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.436 -43.604 -22.030 1.00 25.00 H new ATOM 1055 N PHE A 485 -4.530 -49.784 -19.276 1.00 25.00 N ATOM 1056 CA PHE A 485 -5.250 -50.459 -18.214 1.00 25.00 C ATOM 1057 C PHE A 485 -4.798 -51.909 -18.060 1.00 25.00 C ATOM 1058 O PHE A 485 -4.771 -52.441 -16.956 1.00 25.00 O ATOM 1059 CB PHE A 485 -6.748 -50.436 -18.509 1.00 25.00 C ATOM 1060 CG PHE A 485 -7.466 -49.255 -17.905 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -8.149 -49.393 -16.682 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.469 -48.001 -18.549 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.840 -48.295 -16.108 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.150 -46.895 -17.982 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.837 -47.044 -16.761 1.00 25.00 C ATOM 0 H PHE A 485 -5.017 -49.768 -20.172 1.00 25.00 H new ATOM 0 HA PHE A 485 -5.038 -49.930 -17.285 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.897 -50.427 -19.589 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -7.198 -51.355 -18.133 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -8.147 -50.346 -16.174 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.946 -47.882 -19.486 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -9.367 -48.416 -15.173 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.142 -45.939 -18.485 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.359 -46.204 -16.327 1.00 25.00 H new