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 -110:sc= -0.0157 (180deg=-0.831) USER MOD Single : A 433 MET CE :methyl -159:sc= -0.0165 (180deg=-0.594) USER MOD Single : A 434 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 464 GLN : amide:sc= -0.0355 X(o=-0.035,f=0) USER MOD Single : A 467 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 477 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 482 MET CE :methyl 175:sc= 0 (180deg=-0.0574) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -15.934 12.745 -9.382 1.00 25.00 N ATOM 114 CA GLU A 419 -15.803 11.792 -10.480 1.00 25.00 C ATOM 115 C GLU A 419 -16.421 10.442 -10.126 1.00 25.00 C ATOM 116 O GLU A 419 -16.940 9.759 -10.978 1.00 25.00 O ATOM 117 CB GLU A 419 -14.318 11.549 -10.788 1.00 25.00 C ATOM 118 CG GLU A 419 -13.479 12.805 -11.006 1.00 25.00 C ATOM 119 CD GLU A 419 -13.938 13.642 -12.181 1.00 25.00 C ATOM 120 OE1 GLU A 419 -14.101 13.092 -13.283 1.00 25.00 O ATOM 121 OE2 GLU A 419 -14.120 14.861 -11.988 1.00 25.00 O ATOM 0 HA GLU A 419 -16.321 12.219 -11.339 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -13.883 10.980 -9.966 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -14.247 10.926 -11.680 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -13.510 13.414 -10.102 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -12.440 12.516 -11.160 1.00 25.00 H new ATOM 128 N VAL A 420 -16.350 10.061 -8.858 1.00 25.00 N ATOM 129 CA VAL A 420 -16.837 8.753 -8.415 1.00 25.00 C ATOM 130 C VAL A 420 -18.355 8.655 -8.570 1.00 25.00 C ATOM 131 O VAL A 420 -18.886 7.591 -8.882 1.00 25.00 O ATOM 132 CB VAL A 420 -16.425 8.487 -6.928 1.00 25.00 C ATOM 133 CG1 VAL A 420 -16.873 7.093 -6.460 1.00 25.00 C ATOM 134 CG2 VAL A 420 -14.896 8.607 -6.773 1.00 25.00 C ATOM 0 H VAL A 420 -15.959 10.638 -8.113 1.00 25.00 H new ATOM 0 HA VAL A 420 -16.378 7.991 -9.046 1.00 25.00 H new ATOM 0 HB VAL A 420 -16.921 9.235 -6.310 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -16.570 6.942 -5.424 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -17.957 7.015 -6.536 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -16.409 6.332 -7.088 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -14.620 8.420 -5.735 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -14.407 7.876 -7.416 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -14.579 9.610 -7.058 1.00 25.00 H new ATOM 144 N SER A 421 -19.056 9.760 -8.367 1.00 25.00 N ATOM 145 CA SER A 421 -20.511 9.758 -8.484 1.00 25.00 C ATOM 146 C SER A 421 -20.933 9.548 -9.932 1.00 25.00 C ATOM 147 O SER A 421 -21.856 8.789 -10.220 1.00 25.00 O ATOM 148 CB SER A 421 -21.074 11.086 -7.988 1.00 25.00 C ATOM 149 OG SER A 421 -20.667 11.332 -6.651 1.00 25.00 O ATOM 0 H SER A 421 -18.649 10.663 -8.123 1.00 25.00 H new ATOM 0 HA SER A 421 -20.901 8.941 -7.877 1.00 25.00 H new ATOM 0 HB2 SER A 421 -20.732 11.896 -8.633 1.00 25.00 H new ATOM 0 HB3 SER A 421 -22.162 11.070 -8.046 1.00 25.00 H new ATOM 0 HG SER A 421 -21.035 12.189 -6.349 1.00 25.00 H new ATOM 155 N ASP A 422 -20.243 10.217 -10.842 1.00 25.00 N ATOM 156 CA ASP A 422 -20.557 10.114 -12.266 1.00 25.00 C ATOM 157 C ASP A 422 -20.053 8.785 -12.806 1.00 25.00 C ATOM 158 O ASP A 422 -20.641 8.207 -13.718 1.00 25.00 O ATOM 159 CB ASP A 422 -19.934 11.286 -13.024 1.00 25.00 C ATOM 160 CG ASP A 422 -20.571 12.622 -12.652 1.00 25.00 C ATOM 161 OD1 ASP A 422 -21.768 12.636 -12.284 1.00 25.00 O ATOM 162 OD2 ASP A 422 -19.875 13.655 -12.717 1.00 25.00 O ATOM 0 H ASP A 422 -19.463 10.837 -10.625 1.00 25.00 H new ATOM 0 HA ASP A 422 -21.637 10.156 -12.405 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -18.865 11.325 -12.813 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -20.042 11.121 -14.096 1.00 25.00 H new ATOM 167 N MET A 423 -18.978 8.283 -12.218 1.00 25.00 N ATOM 168 CA MET A 423 -18.439 6.980 -12.587 1.00 25.00 C ATOM 169 C MET A 423 -19.468 5.908 -12.248 1.00 25.00 C ATOM 170 O MET A 423 -19.680 4.986 -13.012 1.00 25.00 O ATOM 171 CB MET A 423 -17.119 6.718 -11.858 1.00 25.00 C ATOM 172 CG MET A 423 -16.446 5.401 -12.219 1.00 25.00 C ATOM 173 SD MET A 423 -14.807 5.265 -11.443 1.00 25.00 S ATOM 174 CE MET A 423 -15.229 5.150 -9.694 1.00 25.00 C ATOM 0 H MET A 423 -18.459 8.759 -11.480 1.00 25.00 H new ATOM 0 HA MET A 423 -18.234 6.958 -13.657 1.00 25.00 H new ATOM 0 HB2 MET A 423 -16.430 7.534 -12.076 1.00 25.00 H new ATOM 0 HB3 MET A 423 -17.303 6.734 -10.784 1.00 25.00 H new ATOM 0 HG2 MET A 423 -17.073 4.569 -11.898 1.00 25.00 H new ATOM 0 HG3 MET A 423 -16.346 5.326 -13.302 1.00 25.00 H new ATOM 0 HE1 MET A 423 -14.928 6.066 -9.186 1.00 25.00 H new ATOM 0 HE2 MET A 423 -16.305 5.013 -9.588 1.00 25.00 H new ATOM 0 HE3 MET A 423 -14.709 4.301 -9.249 1.00 25.00 H new ATOM 184 N ALA A 424 -20.128 6.038 -11.105 1.00 25.00 N ATOM 185 CA ALA A 424 -21.156 5.076 -10.716 1.00 25.00 C ATOM 186 C ALA A 424 -22.341 5.128 -11.694 1.00 25.00 C ATOM 187 O ALA A 424 -22.975 4.108 -11.975 1.00 25.00 O ATOM 188 CB ALA A 424 -21.626 5.366 -9.285 1.00 25.00 C ATOM 0 H ALA A 424 -19.974 6.792 -10.435 1.00 25.00 H new ATOM 0 HA ALA A 424 -20.731 4.073 -10.751 1.00 25.00 H new ATOM 0 HB1 ALA A 424 -22.393 4.645 -9.001 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -20.781 5.286 -8.601 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -22.039 6.374 -9.235 1.00 25.00 H new ATOM 194 N ALA A 425 -22.639 6.314 -12.206 1.00 25.00 N ATOM 195 CA ALA A 425 -23.741 6.480 -13.145 1.00 25.00 C ATOM 196 C ALA A 425 -23.422 5.837 -14.501 1.00 25.00 C ATOM 197 O ALA A 425 -24.259 5.145 -15.079 1.00 25.00 O ATOM 198 CB ALA A 425 -24.053 7.972 -13.323 1.00 25.00 C ATOM 0 H ALA A 425 -22.135 7.174 -11.988 1.00 25.00 H new ATOM 0 HA ALA A 425 -24.616 5.975 -12.736 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -24.878 8.090 -14.026 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -24.332 8.403 -12.361 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -23.172 8.485 -13.708 1.00 25.00 H new ATOM 204 N VAL A 426 -22.222 6.072 -15.016 1.00 25.00 N ATOM 205 CA VAL A 426 -21.839 5.513 -16.313 1.00 25.00 C ATOM 206 C VAL A 426 -21.634 4.006 -16.207 1.00 25.00 C ATOM 207 O VAL A 426 -21.926 3.275 -17.134 1.00 25.00 O ATOM 208 CB VAL A 426 -20.597 6.240 -16.900 1.00 25.00 C ATOM 209 CG1 VAL A 426 -19.334 5.971 -16.112 1.00 25.00 C ATOM 210 CG2 VAL A 426 -20.401 5.872 -18.359 1.00 25.00 C ATOM 0 H VAL A 426 -21.503 6.638 -14.565 1.00 25.00 H new ATOM 0 HA VAL A 426 -22.655 5.682 -17.015 1.00 25.00 H new ATOM 0 HB VAL A 426 -20.796 7.309 -16.824 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -18.500 6.504 -16.568 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -19.466 6.313 -15.086 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -19.125 4.901 -16.114 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -19.527 6.391 -18.751 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -20.253 4.796 -18.446 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -21.283 6.164 -18.930 1.00 25.00 H new ATOM 220 N GLU A 427 -21.170 3.544 -15.060 1.00 25.00 N ATOM 221 CA GLU A 427 -21.036 2.101 -14.805 1.00 25.00 C ATOM 222 C GLU A 427 -22.403 1.439 -14.961 1.00 25.00 C ATOM 223 O GLU A 427 -22.527 0.386 -15.574 1.00 25.00 O ATOM 224 CB GLU A 427 -20.525 1.838 -13.384 1.00 25.00 C ATOM 225 CG GLU A 427 -19.003 1.849 -13.233 1.00 25.00 C ATOM 226 CD GLU A 427 -18.350 0.525 -13.623 1.00 25.00 C ATOM 227 OE1 GLU A 427 -18.855 -0.545 -13.208 1.00 25.00 O ATOM 228 OE2 GLU A 427 -17.321 0.556 -14.330 1.00 25.00 O ATOM 0 H GLU A 427 -20.877 4.138 -14.284 1.00 25.00 H new ATOM 0 HA GLU A 427 -20.321 1.690 -15.518 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -20.947 2.590 -12.717 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -20.901 0.870 -13.052 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -18.589 2.646 -13.850 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -18.749 2.081 -12.199 1.00 25.00 H new ATOM 235 N ALA A 428 -23.441 2.063 -14.418 1.00 25.00 N ATOM 236 CA ALA A 428 -24.788 1.511 -14.530 1.00 25.00 C ATOM 237 C ALA A 428 -25.229 1.475 -16.000 1.00 25.00 C ATOM 238 O ALA A 428 -25.886 0.524 -16.437 1.00 25.00 O ATOM 239 CB ALA A 428 -25.767 2.340 -13.690 1.00 25.00 C ATOM 0 H ALA A 428 -23.380 2.941 -13.902 1.00 25.00 H new ATOM 0 HA ALA A 428 -24.784 0.489 -14.150 1.00 25.00 H new ATOM 0 HB1 ALA A 428 -26.769 1.921 -13.780 1.00 25.00 H new ATOM 0 HB2 ALA A 428 -25.457 2.320 -12.645 1.00 25.00 H new ATOM 0 HB3 ALA A 428 -25.771 3.370 -14.047 1.00 25.00 H new ATOM 245 N ALA A 429 -24.857 2.500 -16.756 1.00 25.00 N ATOM 246 CA ALA A 429 -25.192 2.569 -18.174 1.00 25.00 C ATOM 247 C ALA A 429 -24.456 1.467 -18.949 1.00 25.00 C ATOM 248 O ALA A 429 -25.037 0.811 -19.806 1.00 25.00 O ATOM 249 CB ALA A 429 -24.840 3.953 -18.737 1.00 25.00 C ATOM 0 H ALA A 429 -24.322 3.297 -16.411 1.00 25.00 H new ATOM 0 HA ALA A 429 -26.265 2.413 -18.289 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -25.095 3.991 -19.796 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -25.402 4.718 -18.201 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -23.772 4.135 -18.614 1.00 25.00 H new ATOM 255 N GLU A 430 -23.185 1.257 -18.641 1.00 25.00 N ATOM 256 CA GLU A 430 -22.387 0.218 -19.297 1.00 25.00 C ATOM 257 C GLU A 430 -23.015 -1.131 -19.020 1.00 25.00 C ATOM 258 O GLU A 430 -23.177 -1.959 -19.915 1.00 25.00 O ATOM 259 CB GLU A 430 -20.958 0.206 -18.751 1.00 25.00 C ATOM 260 CG GLU A 430 -20.118 1.381 -19.192 1.00 25.00 C ATOM 261 CD GLU A 430 -19.299 1.071 -20.440 1.00 25.00 C ATOM 262 OE1 GLU A 430 -19.620 1.622 -21.518 1.00 25.00 O ATOM 263 OE2 GLU A 430 -18.343 0.269 -20.351 1.00 25.00 O ATOM 0 H GLU A 430 -22.677 1.793 -17.937 1.00 25.00 H new ATOM 0 HA GLU A 430 -22.359 0.424 -20.367 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -20.997 0.190 -17.662 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -20.468 -0.715 -19.066 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -20.766 2.235 -19.389 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -19.447 1.670 -18.383 1.00 25.00 H new ATOM 270 N LEU A 431 -23.383 -1.349 -17.770 1.00 25.00 N ATOM 271 CA LEU A 431 -24.000 -2.609 -17.367 1.00 25.00 C ATOM 272 C LEU A 431 -25.314 -2.871 -18.102 1.00 25.00 C ATOM 273 O LEU A 431 -25.556 -3.999 -18.546 1.00 25.00 O ATOM 274 CB LEU A 431 -24.235 -2.627 -15.852 1.00 25.00 C ATOM 275 CG LEU A 431 -22.973 -2.796 -14.983 1.00 25.00 C ATOM 276 CD1 LEU A 431 -23.313 -2.500 -13.524 1.00 25.00 C ATOM 277 CD2 LEU A 431 -22.396 -4.213 -15.101 1.00 25.00 C ATOM 0 H LEU A 431 -23.267 -0.674 -17.014 1.00 25.00 H new ATOM 0 HA LEU A 431 -23.308 -3.406 -17.638 1.00 25.00 H new ATOM 0 HB2 LEU A 431 -24.728 -1.697 -15.568 1.00 25.00 H new ATOM 0 HB3 LEU A 431 -24.926 -3.438 -15.619 1.00 25.00 H new ATOM 0 HG LEU A 431 -22.219 -2.094 -15.340 1.00 25.00 H new ATOM 0 HD11 LEU A 431 -22.420 -2.620 -12.911 1.00 25.00 H new ATOM 0 HD12 LEU A 431 -23.679 -1.477 -13.436 1.00 25.00 H new ATOM 0 HD13 LEU A 431 -24.083 -3.192 -13.182 1.00 25.00 H new ATOM 0 HD21 LEU A 431 -21.507 -4.297 -14.476 1.00 25.00 H new ATOM 0 HD22 LEU A 431 -23.141 -4.938 -14.772 1.00 25.00 H new ATOM 0 HD23 LEU A 431 -22.129 -4.412 -16.139 1.00 25.00 H new ATOM 289 N GLU A 432 -26.178 -1.874 -18.247 1.00 25.00 N ATOM 290 CA GLU A 432 -27.429 -2.105 -18.977 1.00 25.00 C ATOM 291 C GLU A 432 -27.198 -2.212 -20.490 1.00 25.00 C ATOM 292 O GLU A 432 -27.885 -2.984 -21.167 1.00 25.00 O ATOM 293 CB GLU A 432 -28.526 -1.092 -18.622 1.00 25.00 C ATOM 294 CG GLU A 432 -28.344 0.318 -19.143 1.00 25.00 C ATOM 295 CD GLU A 432 -29.505 1.223 -18.740 1.00 25.00 C ATOM 296 OE1 GLU A 432 -30.528 0.696 -18.236 1.00 25.00 O ATOM 297 OE2 GLU A 432 -29.406 2.451 -18.934 1.00 25.00 O ATOM 0 H GLU A 432 -26.049 -0.929 -17.886 1.00 25.00 H new ATOM 0 HA GLU A 432 -27.803 -3.073 -18.644 1.00 25.00 H new ATOM 0 HB2 GLU A 432 -29.476 -1.473 -18.997 1.00 25.00 H new ATOM 0 HB3 GLU A 432 -28.608 -1.046 -17.536 1.00 25.00 H new ATOM 0 HG2 GLU A 432 -27.411 0.730 -18.759 1.00 25.00 H new ATOM 0 HG3 GLU A 432 -28.260 0.296 -20.230 1.00 25.00 H new ATOM 304 N MET A 433 -26.226 -1.487 -21.033 1.00 25.00 N ATOM 305 CA MET A 433 -25.902 -1.611 -22.457 1.00 25.00 C ATOM 306 C MET A 433 -25.370 -3.009 -22.716 1.00 25.00 C ATOM 307 O MET A 433 -25.683 -3.616 -23.738 1.00 25.00 O ATOM 308 CB MET A 433 -24.867 -0.574 -22.899 1.00 25.00 C ATOM 309 CG MET A 433 -25.465 0.805 -23.111 1.00 25.00 C ATOM 310 SD MET A 433 -24.295 1.982 -23.842 1.00 25.00 S ATOM 311 CE MET A 433 -23.110 2.249 -22.486 1.00 25.00 C ATOM 0 H MET A 433 -25.654 -0.816 -20.521 1.00 25.00 H new ATOM 0 HA MET A 433 -26.809 -1.432 -23.034 1.00 25.00 H new ATOM 0 HB2 MET A 433 -24.079 -0.511 -22.148 1.00 25.00 H new ATOM 0 HB3 MET A 433 -24.399 -0.908 -23.825 1.00 25.00 H new ATOM 0 HG2 MET A 433 -26.338 0.720 -23.758 1.00 25.00 H new ATOM 0 HG3 MET A 433 -25.813 1.195 -22.154 1.00 25.00 H new ATOM 0 HE1 MET A 433 -22.582 3.189 -22.644 1.00 25.00 H new ATOM 0 HE2 MET A 433 -23.646 2.289 -21.537 1.00 25.00 H new ATOM 0 HE3 MET A 433 -22.392 1.429 -22.463 1.00 25.00 H new ATOM 321 N THR A 434 -24.590 -3.533 -21.780 1.00 25.00 N ATOM 322 CA THR A 434 -24.070 -4.896 -21.881 1.00 25.00 C ATOM 323 C THR A 434 -25.237 -5.879 -21.965 1.00 25.00 C ATOM 324 O THR A 434 -25.193 -6.849 -22.713 1.00 25.00 O ATOM 325 CB THR A 434 -23.168 -5.253 -20.668 1.00 25.00 C ATOM 326 OG1 THR A 434 -22.077 -4.335 -20.602 1.00 25.00 O ATOM 327 CG2 THR A 434 -22.576 -6.645 -20.802 1.00 25.00 C ATOM 0 H THR A 434 -24.301 -3.035 -20.938 1.00 25.00 H new ATOM 0 HA THR A 434 -23.460 -4.963 -22.782 1.00 25.00 H new ATOM 0 HB THR A 434 -23.791 -5.206 -19.775 1.00 25.00 H new ATOM 0 HG1 THR A 434 -22.416 -3.437 -20.404 1.00 25.00 H new ATOM 0 HG21 THR A 434 -21.951 -6.860 -19.935 1.00 25.00 H new ATOM 0 HG22 THR A 434 -23.380 -7.378 -20.860 1.00 25.00 H new ATOM 0 HG23 THR A 434 -21.971 -6.698 -21.707 1.00 25.00 H new ATOM 335 N ARG A 435 -26.305 -5.630 -21.220 1.00 25.00 N ATOM 336 CA ARG A 435 -27.460 -6.530 -21.269 1.00 25.00 C ATOM 337 C ARG A 435 -28.084 -6.475 -22.652 1.00 25.00 C ATOM 338 O ARG A 435 -28.451 -7.501 -23.207 1.00 25.00 O ATOM 339 CB ARG A 435 -28.513 -6.159 -20.219 1.00 25.00 C ATOM 340 CG ARG A 435 -27.970 -6.094 -18.803 1.00 25.00 C ATOM 341 CD ARG A 435 -28.679 -7.044 -17.874 1.00 25.00 C ATOM 342 NE ARG A 435 -28.235 -6.811 -16.491 1.00 25.00 N ATOM 343 CZ ARG A 435 -28.550 -7.562 -15.444 1.00 25.00 C ATOM 344 NH1 ARG A 435 -29.301 -8.632 -15.547 1.00 25.00 N ATOM 345 NH2 ARG A 435 -28.098 -7.228 -14.268 1.00 25.00 N ATOM 0 H ARG A 435 -26.401 -4.835 -20.588 1.00 25.00 H new ATOM 0 HA ARG A 435 -27.110 -7.539 -21.052 1.00 25.00 H new ATOM 0 HB2 ARG A 435 -28.945 -5.192 -20.477 1.00 25.00 H new ATOM 0 HB3 ARG A 435 -29.321 -6.889 -20.255 1.00 25.00 H new ATOM 0 HG2 ARG A 435 -26.905 -6.327 -18.814 1.00 25.00 H new ATOM 0 HG3 ARG A 435 -28.070 -5.077 -18.424 1.00 25.00 H new ATOM 0 HD2 ARG A 435 -29.757 -6.903 -17.948 1.00 25.00 H new ATOM 0 HD3 ARG A 435 -28.471 -8.074 -18.164 1.00 25.00 H new ATOM 0 HE ARG A 435 -27.634 -6.004 -16.323 1.00 25.00 H new ATOM 0 HH11 ARG A 435 -29.666 -8.913 -16.457 1.00 25.00 H new ATOM 0 HH12 ARG A 435 -29.520 -9.183 -14.717 1.00 25.00 H new ATOM 0 HH21 ARG A 435 -27.512 -6.400 -14.163 1.00 25.00 H new ATOM 0 HH22 ARG A 435 -28.331 -7.795 -13.452 1.00 25.00 H new ATOM 359 N GLN A 436 -28.195 -5.279 -23.204 1.00 25.00 N ATOM 360 CA GLN A 436 -28.800 -5.098 -24.517 1.00 25.00 C ATOM 361 C GLN A 436 -28.004 -5.755 -25.638 1.00 25.00 C ATOM 362 O GLN A 436 -28.582 -6.422 -26.489 1.00 25.00 O ATOM 363 CB GLN A 436 -28.964 -3.607 -24.808 1.00 25.00 C ATOM 364 CG GLN A 436 -30.381 -3.104 -24.584 1.00 25.00 C ATOM 365 CD GLN A 436 -30.858 -3.283 -23.151 1.00 25.00 C ATOM 366 OE1 GLN A 436 -31.381 -4.332 -22.781 1.00 25.00 O ATOM 367 NE2 GLN A 436 -30.692 -2.266 -22.348 1.00 25.00 N ATOM 0 H GLN A 436 -27.874 -4.416 -22.764 1.00 25.00 H new ATOM 0 HA GLN A 436 -29.772 -5.590 -24.488 1.00 25.00 H new ATOM 0 HB2 GLN A 436 -28.281 -3.043 -24.173 1.00 25.00 H new ATOM 0 HB3 GLN A 436 -28.675 -3.411 -25.841 1.00 25.00 H new ATOM 0 HG2 GLN A 436 -30.431 -2.048 -24.848 1.00 25.00 H new ATOM 0 HG3 GLN A 436 -31.058 -3.633 -25.255 1.00 25.00 H new ATOM 0 HE21 GLN A 436 -30.254 -1.411 -22.691 1.00 25.00 H new ATOM 0 HE22 GLN A 436 -31.001 -2.327 -21.378 1.00 25.00 H new ATOM 376 N VAL A 437 -26.689 -5.591 -25.645 1.00 25.00 N ATOM 377 CA VAL A 437 -25.870 -6.195 -26.705 1.00 25.00 C ATOM 378 C VAL A 437 -25.892 -7.718 -26.614 1.00 25.00 C ATOM 379 O VAL A 437 -25.863 -8.407 -27.621 1.00 25.00 O ATOM 380 CB VAL A 437 -24.404 -5.674 -26.705 1.00 25.00 C ATOM 381 CG1 VAL A 437 -24.379 -4.167 -27.035 1.00 25.00 C ATOM 382 CG2 VAL A 437 -23.694 -5.916 -25.393 1.00 25.00 C ATOM 0 H VAL A 437 -26.168 -5.058 -24.948 1.00 25.00 H new ATOM 0 HA VAL A 437 -26.318 -5.890 -27.650 1.00 25.00 H new ATOM 0 HB VAL A 437 -23.870 -6.238 -27.470 1.00 25.00 H new ATOM 0 HG11 VAL A 437 -23.349 -3.811 -27.033 1.00 25.00 H new ATOM 0 HG12 VAL A 437 -24.817 -4.003 -28.019 1.00 25.00 H new ATOM 0 HG13 VAL A 437 -24.953 -3.621 -26.286 1.00 25.00 H new ATOM 0 HG21 VAL A 437 -22.676 -5.531 -25.454 1.00 25.00 H new ATOM 0 HG22 VAL A 437 -24.227 -5.406 -24.591 1.00 25.00 H new ATOM 0 HG23 VAL A 437 -23.666 -6.986 -25.186 1.00 25.00 H new ATOM 392 N LEU A 438 -25.984 -8.234 -25.400 1.00 25.00 N ATOM 393 CA LEU A 438 -26.098 -9.679 -25.168 1.00 25.00 C ATOM 394 C LEU A 438 -27.482 -10.232 -25.529 1.00 25.00 C ATOM 395 O LEU A 438 -27.703 -11.443 -25.496 1.00 25.00 O ATOM 396 CB LEU A 438 -25.800 -10.005 -23.702 1.00 25.00 C ATOM 397 CG LEU A 438 -24.320 -9.915 -23.277 1.00 25.00 C ATOM 398 CD1 LEU A 438 -24.217 -10.117 -21.766 1.00 25.00 C ATOM 399 CD2 LEU A 438 -23.448 -10.953 -23.994 1.00 25.00 C ATOM 0 H LEU A 438 -25.983 -7.674 -24.547 1.00 25.00 H new ATOM 0 HA LEU A 438 -25.367 -10.155 -25.822 1.00 25.00 H new ATOM 0 HB2 LEU A 438 -26.379 -9.328 -23.075 1.00 25.00 H new ATOM 0 HB3 LEU A 438 -26.156 -11.014 -23.495 1.00 25.00 H new ATOM 0 HG LEU A 438 -23.952 -8.928 -23.557 1.00 25.00 H new ATOM 0 HD11 LEU A 438 -23.172 -10.054 -21.461 1.00 25.00 H new ATOM 0 HD12 LEU A 438 -24.791 -9.344 -21.256 1.00 25.00 H new ATOM 0 HD13 LEU A 438 -24.614 -11.097 -21.502 1.00 25.00 H new ATOM 0 HD21 LEU A 438 -22.415 -10.851 -23.663 1.00 25.00 H new ATOM 0 HD22 LEU A 438 -23.807 -11.955 -23.759 1.00 25.00 H new ATOM 0 HD23 LEU A 438 -23.501 -10.792 -25.071 1.00 25.00 H new ATOM 720 N ALA A 462 -19.121 -33.695 -45.731 1.00 25.00 N ATOM 721 CA ALA A 462 -18.076 -33.475 -44.741 1.00 25.00 C ATOM 722 C ALA A 462 -18.542 -33.976 -43.368 1.00 25.00 C ATOM 723 O ALA A 462 -17.810 -34.690 -42.681 1.00 25.00 O ATOM 724 CB ALA A 462 -17.715 -31.986 -44.678 1.00 25.00 C ATOM 0 HA ALA A 462 -17.186 -34.034 -45.031 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -16.933 -31.832 -43.935 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -17.358 -31.657 -45.654 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -18.597 -31.409 -44.401 1.00 25.00 H new ATOM 730 N LEU A 463 -19.758 -33.619 -42.971 1.00 25.00 N ATOM 731 CA LEU A 463 -20.283 -34.050 -41.680 1.00 25.00 C ATOM 732 C LEU A 463 -20.465 -35.563 -41.664 1.00 25.00 C ATOM 733 O LEU A 463 -20.161 -36.199 -40.675 1.00 25.00 O ATOM 734 CB LEU A 463 -21.576 -33.285 -41.323 1.00 25.00 C ATOM 735 CG LEU A 463 -22.979 -33.881 -41.569 1.00 25.00 C ATOM 736 CD1 LEU A 463 -23.409 -34.870 -40.475 1.00 25.00 C ATOM 737 CD2 LEU A 463 -23.981 -32.745 -41.614 1.00 25.00 C ATOM 0 H LEU A 463 -20.394 -33.038 -43.518 1.00 25.00 H new ATOM 0 HA LEU A 463 -19.561 -33.806 -40.901 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -21.518 -33.050 -40.260 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -21.539 -32.338 -41.862 1.00 25.00 H new ATOM 0 HG LEU A 463 -22.943 -34.431 -42.510 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -24.403 -35.255 -40.703 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -22.700 -35.697 -40.433 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -23.429 -34.361 -39.512 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -24.979 -33.147 -41.787 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -23.965 -32.208 -40.665 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -23.720 -32.061 -42.422 1.00 25.00 H new ATOM 749 N GLN A 464 -20.936 -36.156 -42.753 1.00 25.00 N ATOM 750 CA GLN A 464 -21.093 -37.608 -42.807 1.00 25.00 C ATOM 751 C GLN A 464 -19.744 -38.306 -42.680 1.00 25.00 C ATOM 752 O GLN A 464 -19.654 -39.406 -42.140 1.00 25.00 O ATOM 753 CB GLN A 464 -21.800 -38.017 -44.090 1.00 25.00 C ATOM 754 CG GLN A 464 -23.262 -37.628 -44.060 1.00 25.00 C ATOM 755 CD GLN A 464 -24.014 -38.107 -45.259 1.00 25.00 C ATOM 756 OE1 GLN A 464 -23.650 -37.856 -46.401 1.00 25.00 O ATOM 757 NE2 GLN A 464 -25.068 -38.815 -45.008 1.00 25.00 N ATOM 0 H GLN A 464 -21.214 -35.664 -43.602 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.709 -37.919 -41.963 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -21.313 -37.544 -44.943 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.711 -39.094 -44.229 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.723 -38.036 -43.161 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -23.343 -36.543 -43.996 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -25.339 -39.002 -44.043 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -25.628 -39.186 -45.776 1.00 25.00 H new ATOM 766 N GLY A 465 -18.692 -37.651 -43.149 1.00 25.00 N ATOM 767 CA GLY A 465 -17.356 -38.182 -42.992 1.00 25.00 C ATOM 768 C GLY A 465 -17.005 -38.143 -41.526 1.00 25.00 C ATOM 769 O GLY A 465 -16.556 -39.133 -40.977 1.00 25.00 O ATOM 0 H GLY A 465 -18.742 -36.757 -43.638 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.306 -39.204 -43.368 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.643 -37.594 -43.570 1.00 25.00 H new ATOM 773 N ALA A 466 -17.238 -37.006 -40.885 1.00 25.00 N ATOM 774 CA ALA A 466 -16.960 -36.849 -39.457 1.00 25.00 C ATOM 775 C ALA A 466 -17.687 -37.916 -38.622 1.00 25.00 C ATOM 776 O ALA A 466 -17.141 -38.434 -37.660 1.00 25.00 O ATOM 777 CB ALA A 466 -17.370 -35.445 -39.003 1.00 25.00 C ATOM 0 H ALA A 466 -17.621 -36.172 -41.331 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.890 -36.982 -39.300 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -17.162 -35.331 -37.939 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -16.805 -34.701 -39.565 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -18.436 -35.302 -39.181 1.00 25.00 H new ATOM 783 N GLN A 467 -18.911 -38.248 -39.000 1.00 25.00 N ATOM 784 CA GLN A 467 -19.675 -39.275 -38.287 1.00 25.00 C ATOM 785 C GLN A 467 -19.029 -40.651 -38.469 1.00 25.00 C ATOM 786 O GLN A 467 -18.888 -41.420 -37.519 1.00 25.00 O ATOM 787 CB GLN A 467 -21.091 -39.350 -38.849 1.00 25.00 C ATOM 788 CG GLN A 467 -21.930 -38.074 -38.692 1.00 25.00 C ATOM 789 CD GLN A 467 -22.398 -37.801 -37.282 1.00 25.00 C ATOM 790 OE1 GLN A 467 -22.402 -38.666 -36.425 1.00 25.00 O ATOM 791 NE2 GLN A 467 -22.810 -36.580 -37.046 1.00 25.00 N ATOM 0 H GLN A 467 -19.400 -37.828 -39.791 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.691 -39.007 -37.231 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -21.030 -39.597 -39.909 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.615 -40.171 -38.360 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -21.342 -37.223 -39.037 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.801 -38.145 -39.343 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -22.791 -35.883 -37.790 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -23.149 -36.327 -36.118 1.00 25.00 H new ATOM 800 N ALA A 468 -18.648 -40.959 -39.701 1.00 25.00 N ATOM 801 CA ALA A 468 -18.059 -42.254 -40.017 1.00 25.00 C ATOM 802 C ALA A 468 -16.715 -42.425 -39.314 1.00 25.00 C ATOM 803 O ALA A 468 -16.431 -43.479 -38.741 1.00 25.00 O ATOM 804 CB ALA A 468 -17.890 -42.394 -41.537 1.00 25.00 C ATOM 0 H ALA A 468 -18.736 -40.330 -40.499 1.00 25.00 H new ATOM 0 HA ALA A 468 -18.729 -43.037 -39.660 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.449 -43.364 -41.766 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -18.864 -42.315 -42.020 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.237 -41.603 -41.905 1.00 25.00 H new ATOM 810 N VAL A 469 -15.887 -41.391 -39.341 1.00 25.00 N ATOM 811 CA VAL A 469 -14.581 -41.479 -38.703 1.00 25.00 C ATOM 812 C VAL A 469 -14.746 -41.515 -37.193 1.00 25.00 C ATOM 813 O VAL A 469 -13.957 -42.143 -36.524 1.00 25.00 O ATOM 814 CB VAL A 469 -13.601 -40.332 -39.128 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.447 -40.303 -40.654 1.00 25.00 C ATOM 816 CG2 VAL A 469 -14.059 -38.982 -38.628 1.00 25.00 C ATOM 0 H VAL A 469 -16.090 -40.497 -39.789 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.122 -42.406 -39.046 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.635 -40.543 -38.670 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.764 -39.502 -40.936 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.048 -41.257 -40.998 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.419 -40.129 -41.115 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.351 -38.217 -38.945 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -15.044 -38.757 -39.038 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -14.114 -38.997 -37.539 1.00 25.00 H new ATOM 826 N ALA A 470 -15.770 -40.868 -36.649 1.00 25.00 N ATOM 827 CA ALA A 470 -15.980 -40.859 -35.198 1.00 25.00 C ATOM 828 C ALA A 470 -16.142 -42.280 -34.659 1.00 25.00 C ATOM 829 O ALA A 470 -15.682 -42.585 -33.556 1.00 25.00 O ATOM 830 CB ALA A 470 -17.201 -40.008 -34.834 1.00 25.00 C ATOM 0 H ALA A 470 -16.465 -40.345 -37.182 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.098 -40.417 -34.734 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.340 -40.014 -33.753 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -17.045 -38.984 -35.174 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.088 -40.419 -35.316 1.00 25.00 H new ATOM 836 N ALA A 471 -16.775 -43.149 -35.435 1.00 25.00 N ATOM 837 CA ALA A 471 -16.939 -44.542 -35.033 1.00 25.00 C ATOM 838 C ALA A 471 -15.566 -45.223 -34.935 1.00 25.00 C ATOM 839 O ALA A 471 -15.331 -46.038 -34.047 1.00 25.00 O ATOM 840 CB ALA A 471 -17.839 -45.277 -36.035 1.00 25.00 C ATOM 0 H ALA A 471 -17.182 -42.918 -36.341 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.415 -44.579 -34.053 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -17.955 -46.316 -35.726 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.817 -44.796 -36.066 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.385 -45.242 -37.025 1.00 25.00 H new ATOM 846 N ALA A 472 -14.662 -44.876 -35.839 1.00 25.00 N ATOM 847 CA ALA A 472 -13.304 -45.410 -35.805 1.00 25.00 C ATOM 848 C ALA A 472 -12.504 -44.788 -34.650 1.00 25.00 C ATOM 849 O ALA A 472 -11.704 -45.460 -34.017 1.00 25.00 O ATOM 850 CB ALA A 472 -12.602 -45.155 -37.146 1.00 25.00 C ATOM 0 H ALA A 472 -14.842 -44.228 -36.606 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.359 -46.486 -35.638 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.590 -45.558 -37.109 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.158 -45.643 -37.946 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.559 -44.083 -37.336 1.00 25.00 H new ATOM 856 N GLN A 473 -12.709 -43.505 -34.384 1.00 25.00 N ATOM 857 CA GLN A 473 -11.969 -42.821 -33.322 1.00 25.00 C ATOM 858 C GLN A 473 -12.323 -43.368 -31.947 1.00 25.00 C ATOM 859 O GLN A 473 -11.448 -43.632 -31.130 1.00 25.00 O ATOM 860 CB GLN A 473 -12.259 -41.308 -33.310 1.00 25.00 C ATOM 861 CG GLN A 473 -11.915 -40.541 -34.592 1.00 25.00 C ATOM 862 CD GLN A 473 -10.443 -40.295 -34.806 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.603 -40.662 -34.005 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.130 -39.671 -35.913 1.00 25.00 N ATOM 0 H GLN A 473 -13.376 -42.917 -34.883 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.915 -42.998 -33.534 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.319 -41.164 -33.099 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.706 -40.860 -32.484 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.304 -41.096 -35.446 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.431 -39.581 -34.574 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.864 -39.379 -36.559 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.153 -39.476 -36.130 1.00 25.00 H new ATOM 873 N ARG A 474 -13.610 -43.555 -31.681 1.00 25.00 N ATOM 874 CA ARG A 474 -14.029 -44.089 -30.381 1.00 25.00 C ATOM 875 C ARG A 474 -13.506 -45.510 -30.219 1.00 25.00 C ATOM 876 O ARG A 474 -13.274 -45.974 -29.110 1.00 25.00 O ATOM 877 CB ARG A 474 -15.556 -44.038 -30.217 1.00 25.00 C ATOM 878 CG ARG A 474 -16.334 -44.923 -31.177 1.00 25.00 C ATOM 879 CD ARG A 474 -17.838 -44.742 -31.025 1.00 25.00 C ATOM 880 NE ARG A 474 -18.312 -45.132 -29.682 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.589 -46.373 -29.291 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.458 -47.409 -30.084 1.00 25.00 N ATOM 883 NH2 ARG A 474 -19.002 -46.575 -28.071 1.00 25.00 N ATOM 0 H ARG A 474 -14.371 -43.352 -32.329 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.604 -43.464 -29.596 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.807 -44.326 -29.196 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.886 -43.007 -30.347 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.042 -44.691 -32.201 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.074 -45.967 -31.000 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.098 -43.700 -31.212 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.352 -45.339 -31.778 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.438 -44.387 -28.996 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.132 -47.280 -31.042 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.682 -48.344 -29.743 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -19.109 -45.787 -27.432 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.219 -47.521 -27.756 1.00 25.00 H new ATOM 897 N LEU A 475 -13.311 -46.184 -31.340 1.00 25.00 N ATOM 898 CA LEU A 475 -12.766 -47.531 -31.349 1.00 25.00 C ATOM 899 C LEU A 475 -11.263 -47.502 -31.045 1.00 25.00 C ATOM 900 O LEU A 475 -10.810 -48.211 -30.157 1.00 25.00 O ATOM 901 CB LEU A 475 -13.054 -48.186 -32.713 1.00 25.00 C ATOM 902 CG LEU A 475 -11.984 -49.094 -33.343 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.791 -50.386 -32.530 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.379 -49.445 -34.764 1.00 25.00 C ATOM 0 H LEU A 475 -13.525 -45.814 -32.266 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.244 -48.126 -30.571 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.966 -48.774 -32.610 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.268 -47.387 -33.423 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.041 -48.548 -33.344 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.028 -51.004 -33.004 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.477 -50.135 -31.517 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.731 -50.936 -32.492 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.617 -50.088 -35.205 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.336 -49.967 -34.757 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.468 -48.532 -35.353 1.00 25.00 H new ATOM 916 N VAL A 476 -10.486 -46.705 -31.770 1.00 25.00 N ATOM 917 CA VAL A 476 -9.031 -46.710 -31.585 1.00 25.00 C ATOM 918 C VAL A 476 -8.689 -46.240 -30.177 1.00 25.00 C ATOM 919 O VAL A 476 -7.769 -46.754 -29.537 1.00 25.00 O ATOM 920 CB VAL A 476 -8.286 -45.889 -32.691 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.599 -44.408 -32.629 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.780 -46.109 -32.598 1.00 25.00 C ATOM 0 H VAL A 476 -10.826 -46.057 -32.480 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.674 -47.734 -31.698 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.649 -46.256 -33.651 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.056 -43.888 -33.418 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.670 -44.256 -32.765 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.297 -44.013 -31.659 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.279 -45.531 -33.374 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.425 -45.787 -31.619 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.558 -47.167 -32.734 1.00 25.00 H new ATOM 932 N HIS A 477 -9.454 -45.284 -29.679 1.00 25.00 N ATOM 933 CA HIS A 477 -9.251 -44.778 -28.341 1.00 25.00 C ATOM 934 C HIS A 477 -9.521 -45.864 -27.306 1.00 25.00 C ATOM 935 O HIS A 477 -8.882 -45.893 -26.271 1.00 25.00 O ATOM 936 CB HIS A 477 -10.157 -43.577 -28.093 1.00 25.00 C ATOM 937 CG HIS A 477 -9.767 -42.778 -26.889 1.00 25.00 C ATOM 938 ND1 HIS A 477 -10.653 -42.135 -26.060 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.539 -42.518 -26.361 1.00 25.00 C ATOM 940 CE1 HIS A 477 -9.958 -41.533 -25.097 1.00 25.00 C ATOM 941 NE2 HIS A 477 -8.663 -41.732 -25.234 1.00 25.00 N ATOM 0 H HIS A 477 -10.222 -44.844 -30.186 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.211 -44.465 -28.245 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.139 -42.931 -28.970 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.183 -43.924 -27.973 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -7.604 -42.875 -26.766 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -10.401 -40.953 -24.301 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -7.914 -41.381 -24.637 1.00 25.00 H new ATOM 949 N ALA A 478 -10.450 -46.771 -27.586 1.00 25.00 N ATOM 950 CA ALA A 478 -10.756 -47.836 -26.639 1.00 25.00 C ATOM 951 C ALA A 478 -9.518 -48.709 -26.411 1.00 25.00 C ATOM 952 O ALA A 478 -9.209 -49.076 -25.282 1.00 25.00 O ATOM 953 CB ALA A 478 -11.928 -48.683 -27.143 1.00 25.00 C ATOM 0 H ALA A 478 -10.997 -46.791 -28.447 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.045 -47.387 -25.689 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.142 -49.473 -26.423 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.809 -48.052 -27.262 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.669 -49.128 -28.104 1.00 25.00 H new ATOM 959 N ILE A 479 -8.804 -49.033 -27.479 1.00 25.00 N ATOM 960 CA ILE A 479 -7.607 -49.862 -27.356 1.00 25.00 C ATOM 961 C ILE A 479 -6.500 -49.055 -26.702 1.00 25.00 C ATOM 962 O ILE A 479 -5.710 -49.587 -25.942 1.00 25.00 O ATOM 963 CB ILE A 479 -7.103 -50.371 -28.718 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.228 -51.093 -29.462 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.908 -51.339 -28.551 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.472 -50.487 -30.779 1.00 25.00 C ATOM 0 H ILE A 479 -9.026 -48.741 -28.431 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.875 -50.727 -26.750 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.775 -49.504 -29.291 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.969 -52.145 -29.585 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.141 -51.057 -28.868 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.576 -51.680 -29.532 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -5.089 -50.823 -28.050 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.216 -52.197 -27.953 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.277 -51.023 -31.282 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.755 -49.442 -30.652 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.565 -50.546 -31.380 1.00 25.00 H new ATOM 978 N ALA A 480 -6.455 -47.760 -26.981 1.00 25.00 N ATOM 979 CA ALA A 480 -5.440 -46.889 -26.398 1.00 25.00 C ATOM 980 C ALA A 480 -5.538 -46.916 -24.862 1.00 25.00 C ATOM 981 O ALA A 480 -4.554 -46.701 -24.152 1.00 25.00 O ATOM 982 CB ALA A 480 -5.601 -45.458 -26.937 1.00 25.00 C ATOM 0 H ALA A 480 -7.108 -47.288 -27.607 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.452 -47.251 -26.681 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.839 -44.815 -26.496 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.489 -45.463 -28.021 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.590 -45.080 -26.676 1.00 25.00 H new ATOM 988 N LEU A 481 -6.725 -47.195 -24.347 1.00 25.00 N ATOM 989 CA LEU A 481 -6.904 -47.310 -22.896 1.00 25.00 C ATOM 990 C LEU A 481 -6.368 -48.640 -22.431 1.00 25.00 C ATOM 991 O LEU A 481 -5.706 -48.736 -21.415 1.00 25.00 O ATOM 992 CB LEU A 481 -8.369 -47.193 -22.508 1.00 25.00 C ATOM 993 CG LEU A 481 -8.929 -45.852 -22.959 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.433 -45.960 -23.095 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.554 -44.717 -22.009 1.00 25.00 C ATOM 0 H LEU A 481 -7.571 -47.345 -24.897 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.359 -46.495 -22.419 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.938 -48.004 -22.962 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.475 -47.295 -21.428 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.486 -45.608 -23.925 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.839 -45.001 -23.418 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.678 -46.725 -23.832 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.867 -46.232 -22.133 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.977 -43.782 -22.375 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.948 -44.929 -21.015 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.469 -44.629 -21.958 1.00 25.00 H new ATOM 1007 N MET A 482 -6.644 -49.680 -23.190 1.00 25.00 N ATOM 1008 CA MET A 482 -6.177 -51.013 -22.834 1.00 25.00 C ATOM 1009 C MET A 482 -4.673 -51.083 -22.849 1.00 25.00 C ATOM 1010 O MET A 482 -4.076 -51.865 -22.118 1.00 25.00 O ATOM 1011 CB MET A 482 -6.732 -52.049 -23.801 1.00 25.00 C ATOM 1012 CG MET A 482 -8.208 -52.006 -23.806 1.00 25.00 C ATOM 1013 SD MET A 482 -8.980 -53.536 -24.373 1.00 25.00 S ATOM 1014 CE MET A 482 -8.734 -53.422 -26.151 1.00 25.00 C ATOM 0 H MET A 482 -7.186 -49.634 -24.053 1.00 25.00 H new ATOM 0 HA MET A 482 -6.532 -51.226 -21.826 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.352 -51.859 -24.805 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.391 -53.044 -23.514 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.559 -51.785 -22.798 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.536 -51.186 -24.445 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.081 -54.340 -26.626 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.298 -52.575 -26.543 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.674 -53.282 -26.363 1.00 25.00 H new ATOM 1024 N THR A 483 -4.045 -50.262 -23.669 1.00 25.00 N ATOM 1025 CA THR A 483 -2.593 -50.331 -23.773 1.00 25.00 C ATOM 1026 C THR A 483 -1.954 -49.624 -22.593 1.00 25.00 C ATOM 1027 O THR A 483 -0.923 -50.065 -22.096 1.00 25.00 O ATOM 1028 CB THR A 483 -2.087 -49.770 -25.106 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.588 -48.448 -25.291 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.573 -50.639 -26.261 1.00 25.00 C ATOM 0 H THR A 483 -4.495 -49.560 -24.257 1.00 25.00 H new ATOM 0 HA THR A 483 -2.301 -51.381 -23.748 1.00 25.00 H new ATOM 0 HB THR A 483 -0.997 -49.760 -25.087 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.262 -48.091 -26.143 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.207 -50.230 -27.203 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.197 -51.654 -26.136 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.663 -50.654 -26.271 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.559 -48.549 -22.110 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.015 -47.874 -20.936 1.00 25.00 C ATOM 1040 C GLN A 484 -2.382 -48.641 -19.664 1.00 25.00 C ATOM 1041 O GLN A 484 -1.595 -48.674 -18.722 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.441 -46.397 -20.871 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.926 -46.150 -20.723 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.285 -44.694 -20.875 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -4.319 -43.950 -19.913 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.563 -44.286 -22.086 1.00 25.00 N ATOM 0 H GLN A 484 -3.405 -48.132 -22.499 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.928 -47.869 -21.021 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.927 -45.926 -20.033 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -2.097 -45.898 -21.777 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.465 -46.734 -21.469 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.254 -46.502 -19.745 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.523 -44.941 -22.867 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.820 -43.313 -22.250 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.546 -49.285 -19.629 1.00 25.00 N ATOM 1056 CA PHE A 485 -3.928 -50.060 -18.458 1.00 25.00 C ATOM 1057 C PHE A 485 -3.089 -51.332 -18.386 1.00 25.00 C ATOM 1058 O PHE A 485 -2.741 -51.798 -17.306 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.415 -50.401 -18.504 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.276 -49.436 -17.728 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.848 -48.309 -18.352 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -6.512 -49.646 -16.356 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.646 -47.398 -17.617 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -7.310 -48.741 -15.609 1.00 25.00 C ATOM 1065 CZ PHE A 485 -7.877 -47.616 -16.244 1.00 25.00 C ATOM 0 H PHE A 485 -4.229 -49.285 -20.386 1.00 25.00 H new ATOM 0 HA PHE A 485 -3.744 -49.464 -17.564 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.745 -50.416 -19.543 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.562 -51.406 -18.109 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.676 -48.138 -19.404 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -6.080 -50.506 -15.866 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -8.077 -46.538 -18.108 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -7.483 -48.913 -14.557 1.00 25.00 H new ATOM 0 HZ PHE A 485 -8.486 -46.925 -15.680 1.00 25.00 H new