USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=6 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 178:sc= -0.0129 (180deg=-0.0215) USER MOD Single : A 433 MET CE :methyl -152:sc= 0 (180deg=-1.07) USER MOD Single : A 434 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 436 GLN : amide:sc= 0.532 K(o=0.53,f=0) USER MOD Single : A 464 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.37) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 477 HIS : no HD1:sc= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 482 MET CE :methyl 179:sc= 0 (180deg=-0.00463) USER MOD Single : A 483 THR OG1 : rot 6:sc= 0.309 USER MOD Single : A 484 GLN : amide:sc= 0.255 X(o=0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 6.523 -30.149 -23.752 1.00 25.00 N ATOM 114 CA GLU A 419 5.211 -29.638 -23.373 1.00 25.00 C ATOM 115 C GLU A 419 5.144 -29.373 -21.875 1.00 25.00 C ATOM 116 O GLU A 419 4.475 -28.463 -21.445 1.00 25.00 O ATOM 117 CB GLU A 419 4.150 -30.671 -23.747 1.00 25.00 C ATOM 118 CG GLU A 419 4.001 -30.879 -25.255 1.00 25.00 C ATOM 119 CD GLU A 419 3.167 -32.106 -25.590 1.00 25.00 C ATOM 120 OE1 GLU A 419 2.951 -32.382 -26.787 1.00 25.00 O ATOM 121 OE2 GLU A 419 2.758 -32.823 -24.655 1.00 25.00 O ATOM 0 HA GLU A 419 5.034 -28.700 -23.900 1.00 25.00 H new ATOM 0 HB2 GLU A 419 4.402 -31.623 -23.281 1.00 25.00 H new ATOM 0 HB3 GLU A 419 3.190 -30.359 -23.335 1.00 25.00 H new ATOM 0 HG2 GLU A 419 3.538 -29.997 -25.697 1.00 25.00 H new ATOM 0 HG3 GLU A 419 4.989 -30.980 -25.705 1.00 25.00 H new ATOM 128 N VAL A 420 5.854 -30.165 -21.081 1.00 25.00 N ATOM 129 CA VAL A 420 5.844 -30.005 -19.625 1.00 25.00 C ATOM 130 C VAL A 420 6.487 -28.671 -19.242 1.00 25.00 C ATOM 131 O VAL A 420 6.073 -28.015 -18.290 1.00 25.00 O ATOM 132 CB VAL A 420 6.589 -31.189 -18.924 1.00 25.00 C ATOM 133 CG1 VAL A 420 6.523 -31.060 -17.392 1.00 25.00 C ATOM 134 CG2 VAL A 420 5.968 -32.525 -19.348 1.00 25.00 C ATOM 0 H VAL A 420 6.445 -30.925 -21.417 1.00 25.00 H new ATOM 0 HA VAL A 420 4.808 -30.012 -19.286 1.00 25.00 H new ATOM 0 HB VAL A 420 7.634 -31.154 -19.231 1.00 25.00 H new ATOM 0 HG11 VAL A 420 7.049 -31.897 -16.933 1.00 25.00 H new ATOM 0 HG12 VAL A 420 6.991 -30.125 -17.085 1.00 25.00 H new ATOM 0 HG13 VAL A 420 5.481 -31.067 -17.071 1.00 25.00 H new ATOM 0 HG21 VAL A 420 6.493 -33.343 -18.855 1.00 25.00 H new ATOM 0 HG22 VAL A 420 4.916 -32.544 -19.062 1.00 25.00 H new ATOM 0 HG23 VAL A 420 6.052 -32.639 -20.429 1.00 25.00 H new ATOM 144 N SER A 421 7.495 -28.257 -19.994 1.00 25.00 N ATOM 145 CA SER A 421 8.155 -26.984 -19.727 1.00 25.00 C ATOM 146 C SER A 421 7.241 -25.819 -20.076 1.00 25.00 C ATOM 147 O SER A 421 7.224 -24.807 -19.384 1.00 25.00 O ATOM 148 CB SER A 421 9.436 -26.877 -20.544 1.00 25.00 C ATOM 149 OG SER A 421 10.312 -27.950 -20.233 1.00 25.00 O ATOM 0 H SER A 421 7.873 -28.776 -20.787 1.00 25.00 H new ATOM 0 HA SER A 421 8.393 -26.943 -18.664 1.00 25.00 H new ATOM 0 HB2 SER A 421 9.199 -26.890 -21.608 1.00 25.00 H new ATOM 0 HB3 SER A 421 9.928 -25.926 -20.338 1.00 25.00 H new ATOM 0 HG SER A 421 11.130 -27.869 -20.766 1.00 25.00 H new ATOM 155 N ASP A 422 6.476 -25.972 -21.147 1.00 25.00 N ATOM 156 CA ASP A 422 5.546 -24.928 -21.578 1.00 25.00 C ATOM 157 C ASP A 422 4.359 -24.887 -20.623 1.00 25.00 C ATOM 158 O ASP A 422 3.804 -23.839 -20.338 1.00 25.00 O ATOM 159 CB ASP A 422 5.061 -25.216 -23.000 1.00 25.00 C ATOM 160 CG ASP A 422 4.334 -24.035 -23.620 1.00 25.00 C ATOM 161 OD1 ASP A 422 4.760 -22.883 -23.391 1.00 25.00 O ATOM 162 OD2 ASP A 422 3.345 -24.262 -24.347 1.00 25.00 O ATOM 0 H ASP A 422 6.478 -26.805 -21.735 1.00 25.00 H new ATOM 0 HA ASP A 422 6.053 -23.963 -21.569 1.00 25.00 H new ATOM 0 HB2 ASP A 422 5.914 -25.481 -23.624 1.00 25.00 H new ATOM 0 HB3 ASP A 422 4.396 -26.080 -22.985 1.00 25.00 H new ATOM 167 N MET A 423 3.990 -26.049 -20.106 1.00 25.00 N ATOM 168 CA MET A 423 2.873 -26.169 -19.170 1.00 25.00 C ATOM 169 C MET A 423 3.108 -25.352 -17.919 1.00 25.00 C ATOM 170 O MET A 423 2.175 -24.821 -17.342 1.00 25.00 O ATOM 171 CB MET A 423 2.682 -27.629 -18.767 1.00 25.00 C ATOM 172 CG MET A 423 1.528 -28.298 -19.468 1.00 25.00 C ATOM 173 SD MET A 423 1.855 -30.050 -19.852 1.00 25.00 S ATOM 174 CE MET A 423 2.175 -30.747 -18.227 1.00 25.00 C ATOM 0 H MET A 423 4.451 -26.933 -20.319 1.00 25.00 H new ATOM 0 HA MET A 423 1.983 -25.794 -19.675 1.00 25.00 H new ATOM 0 HB2 MET A 423 3.597 -28.180 -18.983 1.00 25.00 H new ATOM 0 HB3 MET A 423 2.524 -27.683 -17.690 1.00 25.00 H new ATOM 0 HG2 MET A 423 0.638 -28.228 -18.842 1.00 25.00 H new ATOM 0 HG3 MET A 423 1.310 -27.763 -20.392 1.00 25.00 H new ATOM 0 HE1 MET A 423 2.353 -31.818 -18.319 1.00 25.00 H new ATOM 0 HE2 MET A 423 3.053 -30.269 -17.793 1.00 25.00 H new ATOM 0 HE3 MET A 423 1.313 -30.577 -17.582 1.00 25.00 H new ATOM 184 N ALA A 424 4.357 -25.237 -17.501 1.00 25.00 N ATOM 185 CA ALA A 424 4.672 -24.460 -16.313 1.00 25.00 C ATOM 186 C ALA A 424 4.393 -22.966 -16.564 1.00 25.00 C ATOM 187 O ALA A 424 4.035 -22.220 -15.651 1.00 25.00 O ATOM 188 CB ALA A 424 6.135 -24.681 -15.923 1.00 25.00 C ATOM 0 H ALA A 424 5.161 -25.666 -17.959 1.00 25.00 H new ATOM 0 HA ALA A 424 4.038 -24.790 -15.490 1.00 25.00 H new ATOM 0 HB1 ALA A 424 6.366 -24.097 -15.032 1.00 25.00 H new ATOM 0 HB2 ALA A 424 6.301 -25.738 -15.717 1.00 25.00 H new ATOM 0 HB3 ALA A 424 6.781 -24.365 -16.742 1.00 25.00 H new ATOM 194 N ALA A 425 4.545 -22.536 -17.811 1.00 25.00 N ATOM 195 CA ALA A 425 4.263 -21.152 -18.177 1.00 25.00 C ATOM 196 C ALA A 425 2.744 -20.961 -18.235 1.00 25.00 C ATOM 197 O ALA A 425 2.228 -19.918 -17.833 1.00 25.00 O ATOM 198 CB ALA A 425 4.910 -20.814 -19.531 1.00 25.00 C ATOM 0 H ALA A 425 4.861 -23.123 -18.583 1.00 25.00 H new ATOM 0 HA ALA A 425 4.685 -20.477 -17.432 1.00 25.00 H new ATOM 0 HB1 ALA A 425 4.691 -19.778 -19.791 1.00 25.00 H new ATOM 0 HB2 ALA A 425 5.989 -20.950 -19.463 1.00 25.00 H new ATOM 0 HB3 ALA A 425 4.509 -21.474 -20.301 1.00 25.00 H new ATOM 204 N VAL A 426 2.038 -21.975 -18.722 1.00 25.00 N ATOM 205 CA VAL A 426 0.575 -21.942 -18.779 1.00 25.00 C ATOM 206 C VAL A 426 0.030 -21.841 -17.363 1.00 25.00 C ATOM 207 O VAL A 426 -0.861 -21.042 -17.107 1.00 25.00 O ATOM 208 CB VAL A 426 -0.010 -23.210 -19.478 1.00 25.00 C ATOM 209 CG1 VAL A 426 -1.543 -23.203 -19.444 1.00 25.00 C ATOM 210 CG2 VAL A 426 0.466 -23.282 -20.929 1.00 25.00 C ATOM 0 H VAL A 426 2.453 -22.833 -19.085 1.00 25.00 H new ATOM 0 HA VAL A 426 0.275 -21.076 -19.368 1.00 25.00 H new ATOM 0 HB VAL A 426 0.347 -24.084 -18.933 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -1.922 -24.098 -19.938 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -1.884 -23.188 -18.409 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -1.914 -22.318 -19.961 1.00 25.00 H new ATOM 0 HG21 VAL A 426 0.051 -24.171 -21.404 1.00 25.00 H new ATOM 0 HG22 VAL A 426 0.133 -22.394 -21.466 1.00 25.00 H new ATOM 0 HG23 VAL A 426 1.555 -23.333 -20.953 1.00 25.00 H new ATOM 220 N GLU A 427 0.580 -22.629 -16.447 1.00 25.00 N ATOM 221 CA GLU A 427 0.155 -22.598 -15.046 1.00 25.00 C ATOM 222 C GLU A 427 0.277 -21.185 -14.486 1.00 25.00 C ATOM 223 O GLU A 427 -0.635 -20.682 -13.842 1.00 25.00 O ATOM 224 CB GLU A 427 1.021 -23.528 -14.186 1.00 25.00 C ATOM 225 CG GLU A 427 0.607 -24.991 -14.197 1.00 25.00 C ATOM 226 CD GLU A 427 1.429 -25.818 -13.207 1.00 25.00 C ATOM 227 OE1 GLU A 427 2.664 -25.930 -13.392 1.00 25.00 O ATOM 228 OE2 GLU A 427 0.843 -26.349 -12.234 1.00 25.00 O ATOM 0 H GLU A 427 1.323 -23.299 -16.646 1.00 25.00 H new ATOM 0 HA GLU A 427 -0.883 -22.930 -15.014 1.00 25.00 H new ATOM 0 HB2 GLU A 427 2.053 -23.456 -14.528 1.00 25.00 H new ATOM 0 HB3 GLU A 427 1.001 -23.169 -13.157 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -0.451 -25.072 -13.948 1.00 25.00 H new ATOM 0 HG3 GLU A 427 0.730 -25.397 -15.201 1.00 25.00 H new ATOM 235 N ALA A 428 1.403 -20.533 -14.735 1.00 25.00 N ATOM 236 CA ALA A 428 1.611 -19.182 -14.227 1.00 25.00 C ATOM 237 C ALA A 428 0.590 -18.205 -14.830 1.00 25.00 C ATOM 238 O ALA A 428 0.045 -17.341 -14.127 1.00 25.00 O ATOM 239 CB ALA A 428 3.043 -18.725 -14.537 1.00 25.00 C ATOM 0 H ALA A 428 2.179 -20.910 -15.279 1.00 25.00 H new ATOM 0 HA ALA A 428 1.467 -19.190 -13.147 1.00 25.00 H new ATOM 0 HB1 ALA A 428 3.193 -17.715 -14.155 1.00 25.00 H new ATOM 0 HB2 ALA A 428 3.752 -19.402 -14.061 1.00 25.00 H new ATOM 0 HB3 ALA A 428 3.202 -18.733 -15.615 1.00 25.00 H new ATOM 245 N ALA A 429 0.343 -18.348 -16.125 1.00 25.00 N ATOM 246 CA ALA A 429 -0.576 -17.469 -16.837 1.00 25.00 C ATOM 247 C ALA A 429 -2.022 -17.658 -16.374 1.00 25.00 C ATOM 248 O ALA A 429 -2.738 -16.686 -16.128 1.00 25.00 O ATOM 249 CB ALA A 429 -0.469 -17.729 -18.343 1.00 25.00 C ATOM 0 H ALA A 429 0.769 -19.069 -16.707 1.00 25.00 H new ATOM 0 HA ALA A 429 -0.295 -16.439 -16.617 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -1.156 -17.072 -18.875 1.00 25.00 H new ATOM 0 HB2 ALA A 429 0.551 -17.533 -18.675 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -0.725 -18.768 -18.552 1.00 25.00 H new ATOM 255 N GLU A 430 -2.470 -18.899 -16.264 1.00 25.00 N ATOM 256 CA GLU A 430 -3.848 -19.141 -15.863 1.00 25.00 C ATOM 257 C GLU A 430 -4.028 -18.748 -14.409 1.00 25.00 C ATOM 258 O GLU A 430 -5.099 -18.297 -14.027 1.00 25.00 O ATOM 259 CB GLU A 430 -4.293 -20.588 -16.124 1.00 25.00 C ATOM 260 CG GLU A 430 -3.657 -21.645 -15.241 1.00 25.00 C ATOM 261 CD GLU A 430 -4.146 -23.041 -15.590 1.00 25.00 C ATOM 262 OE1 GLU A 430 -5.363 -23.299 -15.439 1.00 25.00 O ATOM 263 OE2 GLU A 430 -3.324 -23.877 -16.020 1.00 25.00 O ATOM 0 H GLU A 430 -1.916 -19.736 -16.442 1.00 25.00 H new ATOM 0 HA GLU A 430 -4.496 -18.519 -16.481 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -5.375 -20.643 -16.002 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -4.077 -20.832 -17.164 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -2.573 -21.603 -15.347 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -3.884 -21.431 -14.197 1.00 25.00 H new ATOM 270 N LEU A 431 -2.992 -18.882 -13.593 1.00 25.00 N ATOM 271 CA LEU A 431 -3.095 -18.478 -12.198 1.00 25.00 C ATOM 272 C LEU A 431 -3.316 -16.980 -12.088 1.00 25.00 C ATOM 273 O LEU A 431 -4.152 -16.548 -11.306 1.00 25.00 O ATOM 274 CB LEU A 431 -1.843 -18.870 -11.407 1.00 25.00 C ATOM 275 CG LEU A 431 -1.816 -20.319 -10.890 1.00 25.00 C ATOM 276 CD1 LEU A 431 -0.417 -20.650 -10.373 1.00 25.00 C ATOM 277 CD2 LEU A 431 -2.845 -20.534 -9.769 1.00 25.00 C ATOM 0 H LEU A 431 -2.085 -19.261 -13.866 1.00 25.00 H new ATOM 0 HA LEU A 431 -3.951 -19.001 -11.772 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -0.970 -18.712 -12.040 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -1.746 -18.196 -10.556 1.00 25.00 H new ATOM 0 HG LEU A 431 -2.074 -20.980 -11.717 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -0.398 -21.676 -10.007 1.00 25.00 H new ATOM 0 HD12 LEU A 431 0.305 -20.540 -11.182 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -0.159 -19.970 -9.561 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -2.799 -21.568 -9.427 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -2.622 -19.866 -8.937 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -3.845 -20.321 -10.147 1.00 25.00 H new ATOM 289 N GLU A 432 -2.604 -16.166 -12.855 1.00 25.00 N ATOM 290 CA GLU A 432 -2.821 -14.721 -12.755 1.00 25.00 C ATOM 291 C GLU A 432 -4.158 -14.316 -13.369 1.00 25.00 C ATOM 292 O GLU A 432 -4.805 -13.382 -12.882 1.00 25.00 O ATOM 293 CB GLU A 432 -1.649 -13.900 -13.309 1.00 25.00 C ATOM 294 CG GLU A 432 -1.432 -13.942 -14.805 1.00 25.00 C ATOM 295 CD GLU A 432 -0.361 -12.951 -15.232 1.00 25.00 C ATOM 296 OE1 GLU A 432 0.663 -12.838 -14.521 1.00 25.00 O ATOM 297 OE2 GLU A 432 -0.549 -12.275 -16.263 1.00 25.00 O ATOM 0 H GLU A 432 -1.897 -16.460 -13.529 1.00 25.00 H new ATOM 0 HA GLU A 432 -2.867 -14.483 -11.692 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -1.795 -12.860 -13.016 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -0.735 -14.243 -12.824 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -1.140 -14.949 -15.105 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -2.367 -13.715 -15.317 1.00 25.00 H new ATOM 304 N MET A 433 -4.604 -15.020 -14.400 1.00 25.00 N ATOM 305 CA MET A 433 -5.927 -14.756 -14.960 1.00 25.00 C ATOM 306 C MET A 433 -6.991 -15.147 -13.939 1.00 25.00 C ATOM 307 O MET A 433 -7.991 -14.459 -13.797 1.00 25.00 O ATOM 308 CB MET A 433 -6.140 -15.507 -16.274 1.00 25.00 C ATOM 309 CG MET A 433 -5.404 -14.857 -17.436 1.00 25.00 C ATOM 310 SD MET A 433 -5.790 -15.599 -19.043 1.00 25.00 S ATOM 311 CE MET A 433 -4.885 -17.153 -18.968 1.00 25.00 C ATOM 0 H MET A 433 -4.082 -15.766 -14.861 1.00 25.00 H new ATOM 0 HA MET A 433 -6.006 -13.692 -15.181 1.00 25.00 H new ATOM 0 HB2 MET A 433 -5.799 -16.536 -16.161 1.00 25.00 H new ATOM 0 HB3 MET A 433 -7.206 -15.547 -16.499 1.00 25.00 H new ATOM 0 HG2 MET A 433 -5.653 -13.796 -17.465 1.00 25.00 H new ATOM 0 HG3 MET A 433 -4.331 -14.928 -17.261 1.00 25.00 H new ATOM 0 HE1 MET A 433 -4.611 -17.464 -19.976 1.00 25.00 H new ATOM 0 HE2 MET A 433 -3.982 -17.020 -18.372 1.00 25.00 H new ATOM 0 HE3 MET A 433 -5.513 -17.918 -18.511 1.00 25.00 H new ATOM 321 N THR A 434 -6.765 -16.231 -13.208 1.00 25.00 N ATOM 322 CA THR A 434 -7.693 -16.663 -12.160 1.00 25.00 C ATOM 323 C THR A 434 -7.805 -15.580 -11.086 1.00 25.00 C ATOM 324 O THR A 434 -8.891 -15.284 -10.603 1.00 25.00 O ATOM 325 CB THR A 434 -7.246 -18.001 -11.511 1.00 25.00 C ATOM 326 OG1 THR A 434 -7.182 -19.016 -12.514 1.00 25.00 O ATOM 327 CG2 THR A 434 -8.236 -18.473 -10.465 1.00 25.00 C ATOM 0 H THR A 434 -5.947 -16.831 -13.318 1.00 25.00 H new ATOM 0 HA THR A 434 -8.666 -16.825 -12.624 1.00 25.00 H new ATOM 0 HB THR A 434 -6.276 -17.827 -11.046 1.00 25.00 H new ATOM 0 HG1 THR A 434 -6.427 -18.837 -13.113 1.00 25.00 H new ATOM 0 HG21 THR A 434 -7.889 -19.412 -10.033 1.00 25.00 H new ATOM 0 HG22 THR A 434 -8.321 -17.722 -9.680 1.00 25.00 H new ATOM 0 HG23 THR A 434 -9.211 -18.625 -10.929 1.00 25.00 H new ATOM 335 N ARG A 435 -6.687 -14.963 -10.724 1.00 25.00 N ATOM 336 CA ARG A 435 -6.710 -13.892 -9.716 1.00 25.00 C ATOM 337 C ARG A 435 -7.552 -12.746 -10.223 1.00 25.00 C ATOM 338 O ARG A 435 -8.354 -12.176 -9.501 1.00 25.00 O ATOM 339 CB ARG A 435 -5.295 -13.385 -9.423 1.00 25.00 C ATOM 340 CG ARG A 435 -4.441 -14.422 -8.769 1.00 25.00 C ATOM 341 CD ARG A 435 -3.022 -13.932 -8.498 1.00 25.00 C ATOM 342 NE ARG A 435 -2.168 -15.039 -8.020 1.00 25.00 N ATOM 343 CZ ARG A 435 -1.251 -15.681 -8.743 1.00 25.00 C ATOM 344 NH1 ARG A 435 -0.974 -15.372 -9.982 1.00 25.00 N ATOM 345 NH2 ARG A 435 -0.590 -16.664 -8.195 1.00 25.00 N ATOM 0 H ARG A 435 -5.764 -15.176 -11.102 1.00 25.00 H new ATOM 0 HA ARG A 435 -7.134 -14.294 -8.796 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -4.826 -13.067 -10.354 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -5.353 -12.507 -8.779 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -4.902 -14.726 -7.829 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -4.400 -15.307 -9.405 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -2.599 -13.507 -9.408 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -3.043 -13.135 -7.754 1.00 25.00 H new ATOM 0 HE ARG A 435 -2.291 -15.338 -7.053 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -1.469 -14.607 -10.440 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -0.262 -15.896 -10.491 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -0.779 -16.929 -7.228 1.00 25.00 H new ATOM 0 HH22 ARG A 435 0.116 -17.167 -8.733 1.00 25.00 H new ATOM 359 N GLN A 436 -7.358 -12.427 -11.486 1.00 25.00 N ATOM 360 CA GLN A 436 -8.098 -11.339 -12.118 1.00 25.00 C ATOM 361 C GLN A 436 -9.611 -11.583 -12.165 1.00 25.00 C ATOM 362 O GLN A 436 -10.390 -10.692 -11.841 1.00 25.00 O ATOM 363 CB GLN A 436 -7.571 -11.076 -13.511 1.00 25.00 C ATOM 364 CG GLN A 436 -6.398 -10.140 -13.467 1.00 25.00 C ATOM 365 CD GLN A 436 -5.632 -10.158 -14.732 1.00 25.00 C ATOM 366 OE1 GLN A 436 -5.793 -9.310 -15.590 1.00 25.00 O ATOM 367 NE2 GLN A 436 -4.795 -11.132 -14.867 1.00 25.00 N ATOM 0 H GLN A 436 -6.696 -12.901 -12.100 1.00 25.00 H new ATOM 0 HA GLN A 436 -7.940 -10.460 -11.494 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -7.275 -12.016 -13.977 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -8.361 -10.649 -14.129 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -6.749 -9.127 -13.269 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -5.743 -10.417 -12.641 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -4.691 -11.822 -14.123 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -4.238 -11.212 -15.718 1.00 25.00 H new ATOM 376 N VAL A 437 -10.033 -12.774 -12.572 1.00 25.00 N ATOM 377 CA VAL A 437 -11.468 -13.060 -12.696 1.00 25.00 C ATOM 378 C VAL A 437 -12.181 -13.201 -11.358 1.00 25.00 C ATOM 379 O VAL A 437 -13.342 -12.842 -11.232 1.00 25.00 O ATOM 380 CB VAL A 437 -11.752 -14.327 -13.549 1.00 25.00 C ATOM 381 CG1 VAL A 437 -11.263 -14.114 -14.995 1.00 25.00 C ATOM 382 CG2 VAL A 437 -11.116 -15.577 -12.974 1.00 25.00 C ATOM 0 H VAL A 437 -9.419 -13.550 -12.820 1.00 25.00 H new ATOM 0 HA VAL A 437 -11.869 -12.183 -13.205 1.00 25.00 H new ATOM 0 HB VAL A 437 -12.831 -14.479 -13.537 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -11.467 -15.008 -15.584 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -11.785 -13.264 -15.434 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -10.191 -13.919 -14.991 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -11.348 -16.430 -13.612 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -10.035 -15.445 -12.924 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -11.507 -15.756 -11.972 1.00 25.00 H new ATOM 392 N LEU A 438 -11.483 -13.708 -10.356 1.00 25.00 N ATOM 393 CA LEU A 438 -12.053 -13.852 -9.011 1.00 25.00 C ATOM 394 C LEU A 438 -12.286 -12.498 -8.341 1.00 25.00 C ATOM 395 O LEU A 438 -13.036 -12.401 -7.376 1.00 25.00 O ATOM 396 CB LEU A 438 -11.139 -14.699 -8.118 1.00 25.00 C ATOM 397 CG LEU A 438 -11.105 -16.213 -8.399 1.00 25.00 C ATOM 398 CD1 LEU A 438 -10.049 -16.860 -7.501 1.00 25.00 C ATOM 399 CD2 LEU A 438 -12.464 -16.873 -8.155 1.00 25.00 C ATOM 0 H LEU A 438 -10.519 -14.030 -10.440 1.00 25.00 H new ATOM 0 HA LEU A 438 -13.015 -14.351 -9.132 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -10.123 -14.314 -8.208 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -11.445 -14.552 -7.082 1.00 25.00 H new ATOM 0 HG LEU A 438 -10.856 -16.359 -9.450 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -10.017 -17.933 -7.692 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -9.073 -16.424 -7.714 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -10.304 -16.685 -6.456 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -12.393 -17.940 -8.366 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -12.758 -16.727 -7.116 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -13.210 -16.423 -8.810 1.00 25.00 H new ATOM 720 N ALA A 462 -18.649 -32.810 -45.263 1.00 25.00 N ATOM 721 CA ALA A 462 -17.535 -33.016 -44.349 1.00 25.00 C ATOM 722 C ALA A 462 -18.034 -33.652 -43.045 1.00 25.00 C ATOM 723 O ALA A 462 -17.400 -34.561 -42.515 1.00 25.00 O ATOM 724 CB ALA A 462 -16.835 -31.686 -44.064 1.00 25.00 C ATOM 0 HA ALA A 462 -16.817 -33.693 -44.812 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.003 -31.852 -43.379 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -16.459 -31.266 -44.997 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -17.543 -30.991 -43.613 1.00 25.00 H new ATOM 730 N LEU A 463 -19.170 -33.190 -42.531 1.00 25.00 N ATOM 731 CA LEU A 463 -19.711 -33.742 -41.294 1.00 25.00 C ATOM 732 C LEU A 463 -20.131 -35.191 -41.498 1.00 25.00 C ATOM 733 O LEU A 463 -19.968 -35.996 -40.601 1.00 25.00 O ATOM 734 CB LEU A 463 -20.850 -32.864 -40.743 1.00 25.00 C ATOM 735 CG LEU A 463 -22.330 -33.234 -40.965 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.847 -34.289 -39.986 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.157 -31.982 -40.807 1.00 25.00 C ATOM 0 H LEU A 463 -19.728 -32.444 -42.946 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.928 -33.738 -40.536 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -20.700 -32.789 -39.666 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -20.708 -31.865 -41.155 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.413 -33.661 -41.964 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.895 -34.501 -40.200 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.262 -35.203 -40.093 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.753 -33.916 -38.966 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.210 -32.220 -40.960 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.018 -31.578 -39.804 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -22.841 -31.242 -41.543 1.00 25.00 H new ATOM 749 N GLN A 464 -20.643 -35.548 -42.670 1.00 25.00 N ATOM 750 CA GLN A 464 -20.989 -36.948 -42.929 1.00 25.00 C ATOM 751 C GLN A 464 -19.754 -37.837 -42.779 1.00 25.00 C ATOM 752 O GLN A 464 -19.838 -38.957 -42.276 1.00 25.00 O ATOM 753 CB GLN A 464 -21.598 -37.119 -44.320 1.00 25.00 C ATOM 754 CG GLN A 464 -22.978 -36.497 -44.457 1.00 25.00 C ATOM 755 CD GLN A 464 -23.601 -36.791 -45.797 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.471 -36.031 -46.749 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.271 -37.901 -45.881 1.00 25.00 N ATOM 0 H GLN A 464 -20.826 -34.907 -43.442 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.735 -37.251 -42.194 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.932 -36.672 -45.057 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.662 -38.182 -44.552 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.626 -36.875 -43.666 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.904 -35.418 -44.321 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.357 -38.508 -45.066 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.711 -38.166 -46.762 1.00 25.00 H new ATOM 766 N GLY A 465 -18.607 -37.321 -43.189 1.00 25.00 N ATOM 767 CA GLY A 465 -17.362 -38.043 -43.024 1.00 25.00 C ATOM 768 C GLY A 465 -17.017 -38.103 -41.554 1.00 25.00 C ATOM 769 O GLY A 465 -16.670 -39.155 -41.042 1.00 25.00 O ATOM 0 H GLY A 465 -18.515 -36.409 -43.636 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.455 -39.050 -43.430 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.564 -37.548 -43.578 1.00 25.00 H new ATOM 773 N ALA A 466 -17.139 -36.973 -40.868 1.00 25.00 N ATOM 774 CA ALA A 466 -16.846 -36.885 -39.436 1.00 25.00 C ATOM 775 C ALA A 466 -17.637 -37.923 -38.628 1.00 25.00 C ATOM 776 O ALA A 466 -17.117 -38.517 -37.697 1.00 25.00 O ATOM 777 CB ALA A 466 -17.155 -35.476 -38.926 1.00 25.00 C ATOM 0 H ALA A 466 -17.443 -36.092 -41.284 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.786 -37.098 -39.299 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.935 -35.418 -37.860 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.542 -34.752 -39.463 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.209 -35.252 -39.091 1.00 25.00 H new ATOM 783 N GLN A 467 -18.887 -38.145 -38.995 1.00 25.00 N ATOM 784 CA GLN A 467 -19.721 -39.130 -38.308 1.00 25.00 C ATOM 785 C GLN A 467 -19.187 -40.546 -38.514 1.00 25.00 C ATOM 786 O GLN A 467 -19.123 -41.343 -37.579 1.00 25.00 O ATOM 787 CB GLN A 467 -21.135 -39.071 -38.866 1.00 25.00 C ATOM 788 CG GLN A 467 -21.877 -37.764 -38.583 1.00 25.00 C ATOM 789 CD GLN A 467 -22.181 -37.544 -37.122 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.508 -38.462 -36.392 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.082 -36.311 -36.692 1.00 25.00 N ATOM 0 H GLN A 467 -19.351 -37.660 -39.763 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.711 -38.895 -37.244 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.093 -39.223 -39.944 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.711 -39.898 -38.450 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.279 -36.930 -38.950 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.811 -37.758 -39.144 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -21.805 -35.568 -37.333 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -22.282 -36.094 -35.716 1.00 25.00 H new ATOM 800 N ALA A 468 -18.816 -40.862 -39.747 1.00 25.00 N ATOM 801 CA ALA A 468 -18.328 -42.195 -40.074 1.00 25.00 C ATOM 802 C ALA A 468 -16.994 -42.465 -39.373 1.00 25.00 C ATOM 803 O ALA A 468 -16.786 -43.533 -38.793 1.00 25.00 O ATOM 804 CB ALA A 468 -18.175 -42.337 -41.596 1.00 25.00 C ATOM 0 H ALA A 468 -18.843 -40.216 -40.536 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.052 -42.931 -39.723 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.810 -43.336 -41.833 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.142 -42.181 -42.075 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.465 -41.595 -41.961 1.00 25.00 H new ATOM 810 N VAL A 469 -16.093 -41.496 -39.415 1.00 25.00 N ATOM 811 CA VAL A 469 -14.782 -41.666 -38.794 1.00 25.00 C ATOM 812 C VAL A 469 -14.896 -41.683 -37.278 1.00 25.00 C ATOM 813 O VAL A 469 -14.092 -42.313 -36.624 1.00 25.00 O ATOM 814 CB VAL A 469 -13.740 -40.593 -39.251 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.634 -40.576 -40.778 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.100 -39.214 -38.749 1.00 25.00 C ATOM 0 H VAL A 469 -16.239 -40.593 -39.866 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.408 -42.631 -39.135 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.777 -40.867 -38.821 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.906 -39.825 -41.084 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.315 -41.556 -41.131 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.606 -40.334 -41.208 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.352 -38.497 -39.087 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.078 -38.929 -39.137 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.130 -39.220 -37.659 1.00 25.00 H new ATOM 826 N ALA A 470 -15.889 -41.007 -36.714 1.00 25.00 N ATOM 827 CA ALA A 470 -16.060 -40.971 -35.257 1.00 25.00 C ATOM 828 C ALA A 470 -16.201 -42.380 -34.679 1.00 25.00 C ATOM 829 O ALA A 470 -15.729 -42.653 -33.574 1.00 25.00 O ATOM 830 CB ALA A 470 -17.279 -40.118 -34.879 1.00 25.00 C ATOM 0 H ALA A 470 -16.588 -40.477 -37.235 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.166 -40.518 -34.829 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.390 -40.103 -33.795 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.138 -39.101 -35.244 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.175 -40.544 -35.330 1.00 25.00 H new ATOM 836 N ALA A 471 -16.830 -43.276 -35.427 1.00 25.00 N ATOM 837 CA ALA A 471 -16.977 -44.658 -34.983 1.00 25.00 C ATOM 838 C ALA A 471 -15.602 -45.333 -34.891 1.00 25.00 C ATOM 839 O ALA A 471 -15.364 -46.142 -34.002 1.00 25.00 O ATOM 840 CB ALA A 471 -17.896 -45.423 -35.942 1.00 25.00 C ATOM 0 H ALA A 471 -17.244 -43.075 -36.337 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.430 -44.667 -33.992 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.000 -46.454 -35.602 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.877 -44.948 -35.963 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.466 -45.413 -36.944 1.00 25.00 H new ATOM 846 N ALA A 472 -14.704 -44.988 -35.804 1.00 25.00 N ATOM 847 CA ALA A 472 -13.339 -45.507 -35.778 1.00 25.00 C ATOM 848 C ALA A 472 -12.518 -44.838 -34.665 1.00 25.00 C ATOM 849 O ALA A 472 -11.683 -45.477 -34.043 1.00 25.00 O ATOM 850 CB ALA A 472 -12.667 -45.296 -37.143 1.00 25.00 C ATOM 0 H ALA A 472 -14.895 -44.349 -36.575 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.382 -46.576 -35.568 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.650 -45.687 -37.112 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.234 -45.820 -37.912 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.640 -44.231 -37.374 1.00 25.00 H new ATOM 856 N GLN A 473 -12.744 -43.555 -34.423 1.00 25.00 N ATOM 857 CA GLN A 473 -11.990 -42.831 -33.401 1.00 25.00 C ATOM 858 C GLN A 473 -12.306 -43.334 -32.001 1.00 25.00 C ATOM 859 O GLN A 473 -11.413 -43.574 -31.196 1.00 25.00 O ATOM 860 CB GLN A 473 -12.294 -41.325 -33.443 1.00 25.00 C ATOM 861 CG GLN A 473 -11.964 -40.619 -34.759 1.00 25.00 C ATOM 862 CD GLN A 473 -10.483 -40.468 -35.026 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.648 -40.727 -34.179 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.157 -40.047 -36.221 1.00 25.00 N ATOM 0 H GLN A 473 -13.439 -42.993 -34.915 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.937 -43.007 -33.623 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.353 -41.181 -33.230 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.738 -40.838 -32.641 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.415 -41.176 -35.580 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.424 -39.631 -34.754 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.885 -39.840 -36.905 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.175 -39.926 -36.469 1.00 25.00 H new ATOM 873 N ARG A 474 -13.584 -43.510 -31.702 1.00 25.00 N ATOM 874 CA ARG A 474 -13.976 -44.021 -30.384 1.00 25.00 C ATOM 875 C ARG A 474 -13.429 -45.435 -30.209 1.00 25.00 C ATOM 876 O ARG A 474 -13.134 -45.869 -29.104 1.00 25.00 O ATOM 877 CB ARG A 474 -15.501 -43.979 -30.206 1.00 25.00 C ATOM 878 CG ARG A 474 -16.276 -44.925 -31.095 1.00 25.00 C ATOM 879 CD ARG A 474 -17.757 -44.649 -31.019 1.00 25.00 C ATOM 880 NE ARG A 474 -18.524 -45.637 -31.796 1.00 25.00 N ATOM 881 CZ ARG A 474 -19.837 -45.607 -31.991 1.00 25.00 C ATOM 882 NH1 ARG A 474 -20.599 -44.663 -31.490 1.00 25.00 N ATOM 883 NH2 ARG A 474 -20.396 -46.540 -32.710 1.00 25.00 N ATOM 0 H ARG A 474 -14.359 -43.313 -32.335 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.550 -43.383 -29.610 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.736 -44.207 -29.166 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.846 -42.962 -30.395 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -15.936 -44.822 -32.125 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.079 -45.954 -30.796 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.081 -44.671 -29.978 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -17.963 -43.647 -31.396 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.005 -46.407 -32.219 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -20.186 -43.918 -30.929 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -21.604 -44.674 -31.662 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.826 -47.282 -33.115 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -21.404 -46.528 -32.867 1.00 25.00 H new ATOM 897 N LEU A 475 -13.282 -46.136 -31.323 1.00 25.00 N ATOM 898 CA LEU A 475 -12.728 -47.481 -31.328 1.00 25.00 C ATOM 899 C LEU A 475 -11.221 -47.457 -31.044 1.00 25.00 C ATOM 900 O LEU A 475 -10.759 -48.183 -30.176 1.00 25.00 O ATOM 901 CB LEU A 475 -13.030 -48.146 -32.684 1.00 25.00 C ATOM 902 CG LEU A 475 -11.975 -49.073 -33.308 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.821 -50.365 -32.493 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.360 -49.419 -34.734 1.00 25.00 C ATOM 0 H LEU A 475 -13.543 -45.790 -32.246 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.194 -48.065 -30.534 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.949 -48.721 -32.571 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.237 -47.352 -33.402 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.022 -48.544 -33.304 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.068 -51.001 -32.958 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.511 -50.120 -31.477 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.774 -50.893 -32.464 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.605 -50.076 -35.165 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.326 -49.924 -34.738 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.426 -48.505 -35.325 1.00 25.00 H new ATOM 916 N VAL A 476 -10.450 -46.650 -31.765 1.00 25.00 N ATOM 917 CA VAL A 476 -8.995 -46.653 -31.582 1.00 25.00 C ATOM 918 C VAL A 476 -8.663 -46.201 -30.168 1.00 25.00 C ATOM 919 O VAL A 476 -7.744 -46.722 -29.529 1.00 25.00 O ATOM 920 CB VAL A 476 -8.251 -45.811 -32.675 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.612 -44.344 -32.627 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.736 -45.983 -32.552 1.00 25.00 C ATOM 0 H VAL A 476 -10.794 -45.997 -32.469 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.630 -47.672 -31.713 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.581 -46.194 -33.641 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.068 -43.810 -33.406 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.684 -44.228 -32.788 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.345 -43.935 -31.652 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.239 -45.390 -33.320 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.410 -45.648 -31.567 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.477 -47.034 -32.681 1.00 25.00 H new ATOM 932 N HIS A 477 -9.435 -45.255 -29.661 1.00 25.00 N ATOM 933 CA HIS A 477 -9.248 -44.770 -28.317 1.00 25.00 C ATOM 934 C HIS A 477 -9.507 -45.884 -27.309 1.00 25.00 C ATOM 935 O HIS A 477 -8.832 -45.964 -26.299 1.00 25.00 O ATOM 936 CB HIS A 477 -10.179 -43.590 -28.062 1.00 25.00 C ATOM 937 CG HIS A 477 -9.834 -42.823 -26.823 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.668 -41.932 -26.195 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.696 -42.824 -26.080 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.032 -41.451 -25.128 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.825 -41.965 -25.009 1.00 25.00 N ATOM 0 H HIS A 477 -10.200 -44.810 -30.168 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.217 -44.438 -28.199 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.145 -42.917 -28.919 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.203 -43.954 -27.983 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.817 -43.413 -26.297 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.454 -40.729 -24.445 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.136 -41.770 -24.283 1.00 25.00 H new ATOM 949 N ALA A 478 -10.470 -46.757 -27.584 1.00 25.00 N ATOM 950 CA ALA A 478 -10.777 -47.841 -26.657 1.00 25.00 C ATOM 951 C ALA A 478 -9.543 -48.719 -26.431 1.00 25.00 C ATOM 952 O ALA A 478 -9.244 -49.099 -25.302 1.00 25.00 O ATOM 953 CB ALA A 478 -11.943 -48.680 -27.187 1.00 25.00 C ATOM 0 H ALA A 478 -11.044 -46.738 -28.427 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.069 -47.407 -25.701 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.161 -49.485 -26.485 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.824 -48.048 -27.299 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.675 -49.105 -28.154 1.00 25.00 H new ATOM 959 N ILE A 479 -8.819 -49.034 -27.494 1.00 25.00 N ATOM 960 CA ILE A 479 -7.626 -49.870 -27.364 1.00 25.00 C ATOM 961 C ILE A 479 -6.518 -49.077 -26.697 1.00 25.00 C ATOM 962 O ILE A 479 -5.752 -49.621 -25.918 1.00 25.00 O ATOM 963 CB ILE A 479 -7.107 -50.380 -28.724 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.230 -51.070 -29.502 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.940 -51.380 -28.533 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.442 -50.438 -30.817 1.00 25.00 C ATOM 0 H ILE A 479 -9.029 -48.731 -28.445 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.910 -50.734 -26.763 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.750 -49.516 -29.284 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.986 -52.124 -29.638 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.153 -51.029 -28.924 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.593 -51.724 -29.507 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.121 -50.887 -28.009 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.284 -52.233 -27.948 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.246 -50.953 -31.343 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.711 -49.391 -30.678 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.526 -50.502 -31.404 1.00 25.00 H new ATOM 978 N ALA A 480 -6.443 -47.785 -26.984 1.00 25.00 N ATOM 979 CA ALA A 480 -5.416 -46.929 -26.397 1.00 25.00 C ATOM 980 C ALA A 480 -5.526 -46.953 -24.864 1.00 25.00 C ATOM 981 O ALA A 480 -4.538 -46.773 -24.145 1.00 25.00 O ATOM 982 CB ALA A 480 -5.553 -45.498 -26.938 1.00 25.00 C ATOM 0 H ALA A 480 -7.080 -47.304 -27.619 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.431 -47.305 -26.674 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.783 -44.866 -26.495 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.437 -45.506 -28.022 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.537 -45.105 -26.682 1.00 25.00 H new ATOM 988 N LEU A 481 -6.728 -47.192 -24.362 1.00 25.00 N ATOM 989 CA LEU A 481 -6.939 -47.284 -22.916 1.00 25.00 C ATOM 990 C LEU A 481 -6.444 -48.621 -22.423 1.00 25.00 C ATOM 991 O LEU A 481 -5.806 -48.724 -21.390 1.00 25.00 O ATOM 992 CB LEU A 481 -8.407 -47.118 -22.567 1.00 25.00 C ATOM 993 CG LEU A 481 -8.911 -45.754 -23.021 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.412 -45.816 -23.192 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.523 -44.640 -22.055 1.00 25.00 C ATOM 0 H LEU A 481 -7.568 -47.325 -24.924 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.383 -46.481 -22.432 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.992 -47.905 -23.043 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.546 -47.224 -21.491 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.437 -45.515 -23.973 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.782 -44.843 -23.517 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.662 -46.568 -23.940 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.876 -46.081 -22.242 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.906 -43.689 -22.424 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.948 -44.846 -21.073 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.437 -44.588 -21.977 1.00 25.00 H new ATOM 1007 N MET A 482 -6.726 -49.664 -23.177 1.00 25.00 N ATOM 1008 CA MET A 482 -6.275 -51.000 -22.805 1.00 25.00 C ATOM 1009 C MET A 482 -4.763 -51.083 -22.798 1.00 25.00 C ATOM 1010 O MET A 482 -4.186 -51.871 -22.050 1.00 25.00 O ATOM 1011 CB MET A 482 -6.836 -52.039 -23.768 1.00 25.00 C ATOM 1012 CG MET A 482 -8.321 -51.984 -23.803 1.00 25.00 C ATOM 1013 SD MET A 482 -9.082 -53.522 -24.354 1.00 25.00 S ATOM 1014 CE MET A 482 -8.871 -53.396 -26.137 1.00 25.00 C ATOM 0 H MET A 482 -7.260 -49.619 -24.045 1.00 25.00 H new ATOM 0 HA MET A 482 -6.641 -51.205 -21.799 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.438 -51.866 -24.768 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.512 -53.034 -23.464 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.692 -51.740 -22.807 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.632 -51.176 -24.465 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.278 -54.287 -26.615 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.396 -52.514 -26.504 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.810 -53.311 -26.373 1.00 25.00 H new ATOM 1024 N THR A 483 -4.119 -50.266 -23.616 1.00 25.00 N ATOM 1025 CA THR A 483 -2.658 -50.308 -23.733 1.00 25.00 C ATOM 1026 C THR A 483 -1.967 -49.476 -22.668 1.00 25.00 C ATOM 1027 O THR A 483 -0.750 -49.541 -22.516 1.00 25.00 O ATOM 1028 CB THR A 483 -2.194 -49.856 -25.123 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.750 -48.580 -25.431 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.665 -50.838 -26.172 1.00 25.00 C ATOM 0 H THR A 483 -4.574 -49.570 -24.207 1.00 25.00 H new ATOM 0 HA THR A 483 -2.373 -51.349 -23.584 1.00 25.00 H new ATOM 0 HB THR A 483 -1.105 -49.803 -25.119 1.00 25.00 H new ATOM 0 HG1 THR A 483 -3.222 -48.231 -24.646 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.330 -50.508 -27.156 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.251 -51.824 -25.960 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.754 -50.891 -26.158 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.744 -48.709 -21.916 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.202 -47.964 -20.784 1.00 25.00 C ATOM 1040 C GLN A 484 -2.670 -48.567 -19.454 1.00 25.00 C ATOM 1041 O GLN A 484 -1.959 -48.478 -18.466 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.517 -46.461 -20.881 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.979 -46.093 -20.751 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.224 -44.629 -21.014 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.126 -43.807 -20.125 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.532 -44.299 -22.239 1.00 25.00 N ATOM 0 H GLN A 484 -3.745 -48.585 -22.066 1.00 25.00 H new ATOM 0 HA GLN A 484 -1.116 -48.054 -20.819 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.958 -45.939 -20.104 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.151 -46.092 -21.839 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.565 -46.689 -21.450 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.327 -46.343 -19.749 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.605 -45.019 -22.958 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.700 -43.321 -22.477 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.841 -49.198 -19.424 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.311 -49.854 -18.227 1.00 25.00 C ATOM 1057 C PHE A 485 -3.714 -51.247 -18.076 1.00 25.00 C ATOM 1058 O PHE A 485 -3.622 -51.765 -16.973 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.828 -49.970 -18.287 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.547 -48.697 -17.936 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -7.489 -48.137 -18.819 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.294 -48.052 -16.710 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -8.166 -46.936 -18.492 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -6.964 -46.850 -16.370 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.900 -46.291 -17.266 1.00 25.00 C ATOM 0 H PHE A 485 -4.475 -49.264 -20.220 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.000 -49.256 -17.370 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -6.120 -50.277 -19.291 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -6.150 -50.758 -17.606 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -7.698 -48.629 -19.757 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -5.581 -48.478 -16.020 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.884 -46.515 -19.180 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -6.759 -46.363 -15.428 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.411 -45.373 -17.014 1.00 25.00 H new