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 -105:sc= -0.0855 (180deg=-1.17) USER MOD Single : A 433 MET CE :methyl -154:sc= -0.0214 (180deg=-1.11) USER MOD Single : A 434 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 436 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 464 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 467 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.12) USER MOD Single : A 473 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 477 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 482 MET CE :methyl 177:sc= -0.0022 (180deg=-0.0156) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 GLN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 113 N GLU A 419 -8.078 -73.524 -40.121 1.00 25.00 N ATOM 114 CA GLU A 419 -8.562 -72.228 -39.639 1.00 25.00 C ATOM 115 C GLU A 419 -7.505 -71.577 -38.746 1.00 25.00 C ATOM 116 O GLU A 419 -7.268 -70.385 -38.809 1.00 25.00 O ATOM 117 CB GLU A 419 -9.849 -72.398 -38.812 1.00 25.00 C ATOM 118 CG GLU A 419 -10.837 -73.448 -39.322 1.00 25.00 C ATOM 119 CD GLU A 419 -11.328 -73.184 -40.728 1.00 25.00 C ATOM 120 OE1 GLU A 419 -11.897 -72.107 -40.983 1.00 25.00 O ATOM 121 OE2 GLU A 419 -11.148 -74.084 -41.575 1.00 25.00 O ATOM 0 HA GLU A 419 -8.766 -71.603 -40.509 1.00 25.00 H new ATOM 0 HB2 GLU A 419 -9.570 -72.656 -37.790 1.00 25.00 H new ATOM 0 HB3 GLU A 419 -10.360 -71.436 -38.770 1.00 25.00 H new ATOM 0 HG2 GLU A 419 -10.361 -74.428 -39.290 1.00 25.00 H new ATOM 0 HG3 GLU A 419 -11.693 -73.487 -38.648 1.00 25.00 H new ATOM 128 N VAL A 420 -6.869 -72.387 -37.910 1.00 25.00 N ATOM 129 CA VAL A 420 -5.857 -71.910 -36.974 1.00 25.00 C ATOM 130 C VAL A 420 -4.587 -71.549 -37.734 1.00 25.00 C ATOM 131 O VAL A 420 -3.904 -70.588 -37.403 1.00 25.00 O ATOM 132 CB VAL A 420 -5.556 -73.002 -35.898 1.00 25.00 C ATOM 133 CG1 VAL A 420 -4.532 -72.512 -34.869 1.00 25.00 C ATOM 134 CG2 VAL A 420 -6.851 -73.393 -35.175 1.00 25.00 C ATOM 0 H VAL A 420 -7.039 -73.392 -37.861 1.00 25.00 H new ATOM 0 HA VAL A 420 -6.231 -71.022 -36.465 1.00 25.00 H new ATOM 0 HB VAL A 420 -5.138 -73.867 -36.413 1.00 25.00 H new ATOM 0 HG11 VAL A 420 -4.348 -73.298 -34.137 1.00 25.00 H new ATOM 0 HG12 VAL A 420 -3.600 -72.261 -35.375 1.00 25.00 H new ATOM 0 HG13 VAL A 420 -4.919 -71.628 -34.363 1.00 25.00 H new ATOM 0 HG21 VAL A 420 -6.634 -74.155 -34.426 1.00 25.00 H new ATOM 0 HG22 VAL A 420 -7.275 -72.515 -34.687 1.00 25.00 H new ATOM 0 HG23 VAL A 420 -7.566 -73.787 -35.897 1.00 25.00 H new ATOM 144 N SER A 421 -4.279 -72.315 -38.769 1.00 25.00 N ATOM 145 CA SER A 421 -3.095 -72.049 -39.575 1.00 25.00 C ATOM 146 C SER A 421 -3.208 -70.723 -40.316 1.00 25.00 C ATOM 147 O SER A 421 -2.240 -69.975 -40.411 1.00 25.00 O ATOM 148 CB SER A 421 -2.899 -73.159 -40.597 1.00 25.00 C ATOM 149 OG SER A 421 -2.733 -74.414 -39.956 1.00 25.00 O ATOM 0 H SER A 421 -4.827 -73.121 -39.070 1.00 25.00 H new ATOM 0 HA SER A 421 -2.244 -72.002 -38.896 1.00 25.00 H new ATOM 0 HB2 SER A 421 -3.759 -73.199 -41.266 1.00 25.00 H new ATOM 0 HB3 SER A 421 -2.026 -72.942 -41.212 1.00 25.00 H new ATOM 0 HG SER A 421 -2.610 -75.113 -40.632 1.00 25.00 H new ATOM 155 N ASP A 422 -4.391 -70.432 -40.836 1.00 25.00 N ATOM 156 CA ASP A 422 -4.612 -69.183 -41.561 1.00 25.00 C ATOM 157 C ASP A 422 -4.658 -68.027 -40.574 1.00 25.00 C ATOM 158 O ASP A 422 -4.187 -66.936 -40.849 1.00 25.00 O ATOM 159 CB ASP A 422 -5.919 -69.248 -42.349 1.00 25.00 C ATOM 160 CG ASP A 422 -6.049 -68.108 -43.344 1.00 25.00 C ATOM 161 OD1 ASP A 422 -5.175 -67.997 -44.232 1.00 25.00 O ATOM 162 OD2 ASP A 422 -7.023 -67.332 -43.249 1.00 25.00 O ATOM 0 H ASP A 422 -5.210 -71.037 -40.772 1.00 25.00 H new ATOM 0 HA ASP A 422 -3.792 -69.030 -42.263 1.00 25.00 H new ATOM 0 HB2 ASP A 422 -5.974 -70.199 -42.880 1.00 25.00 H new ATOM 0 HB3 ASP A 422 -6.760 -69.221 -41.656 1.00 25.00 H new ATOM 167 N MET A 423 -5.213 -68.285 -39.401 1.00 25.00 N ATOM 168 CA MET A 423 -5.312 -67.265 -38.355 1.00 25.00 C ATOM 169 C MET A 423 -3.915 -66.836 -37.908 1.00 25.00 C ATOM 170 O MET A 423 -3.666 -65.664 -37.653 1.00 25.00 O ATOM 171 CB MET A 423 -6.112 -67.820 -37.175 1.00 25.00 C ATOM 172 CG MET A 423 -6.320 -66.850 -36.025 1.00 25.00 C ATOM 173 SD MET A 423 -7.427 -67.560 -34.769 1.00 25.00 S ATOM 174 CE MET A 423 -6.449 -68.961 -34.164 1.00 25.00 C ATOM 0 H MET A 423 -5.604 -69.191 -39.144 1.00 25.00 H new ATOM 0 HA MET A 423 -5.828 -66.389 -38.748 1.00 25.00 H new ATOM 0 HB2 MET A 423 -7.088 -68.144 -37.538 1.00 25.00 H new ATOM 0 HB3 MET A 423 -5.603 -68.706 -36.795 1.00 25.00 H new ATOM 0 HG2 MET A 423 -5.359 -66.605 -35.572 1.00 25.00 H new ATOM 0 HG3 MET A 423 -6.741 -65.918 -36.402 1.00 25.00 H new ATOM 0 HE1 MET A 423 -6.857 -69.889 -34.564 1.00 25.00 H new ATOM 0 HE2 MET A 423 -5.414 -68.850 -34.489 1.00 25.00 H new ATOM 0 HE3 MET A 423 -6.487 -68.988 -33.075 1.00 25.00 H new ATOM 184 N ALA A 424 -2.996 -67.789 -37.838 1.00 25.00 N ATOM 185 CA ALA A 424 -1.618 -67.495 -37.460 1.00 25.00 C ATOM 186 C ALA A 424 -0.961 -66.583 -38.507 1.00 25.00 C ATOM 187 O ALA A 424 -0.090 -65.774 -38.187 1.00 25.00 O ATOM 188 CB ALA A 424 -0.830 -68.800 -37.312 1.00 25.00 C ATOM 0 H ALA A 424 -3.178 -68.773 -38.038 1.00 25.00 H new ATOM 0 HA ALA A 424 -1.615 -66.974 -36.503 1.00 25.00 H new ATOM 0 HB1 ALA A 424 0.198 -68.574 -37.030 1.00 25.00 H new ATOM 0 HB2 ALA A 424 -1.291 -69.418 -36.541 1.00 25.00 H new ATOM 0 HB3 ALA A 424 -0.836 -69.338 -38.260 1.00 25.00 H new ATOM 194 N ALA A 425 -1.386 -66.705 -39.758 1.00 25.00 N ATOM 195 CA ALA A 425 -0.858 -65.858 -40.818 1.00 25.00 C ATOM 196 C ALA A 425 -1.379 -64.427 -40.637 1.00 25.00 C ATOM 197 O ALA A 425 -0.664 -63.473 -40.914 1.00 25.00 O ATOM 198 CB ALA A 425 -1.247 -66.412 -42.199 1.00 25.00 C ATOM 0 H ALA A 425 -2.090 -67.378 -40.062 1.00 25.00 H new ATOM 0 HA ALA A 425 0.230 -65.848 -40.759 1.00 25.00 H new ATOM 0 HB1 ALA A 425 -0.843 -65.765 -42.978 1.00 25.00 H new ATOM 0 HB2 ALA A 425 -0.841 -67.417 -42.315 1.00 25.00 H new ATOM 0 HB3 ALA A 425 -2.333 -66.447 -42.284 1.00 25.00 H new ATOM 204 N VAL A 426 -2.609 -64.281 -40.160 1.00 25.00 N ATOM 205 CA VAL A 426 -3.186 -62.958 -39.901 1.00 25.00 C ATOM 206 C VAL A 426 -2.420 -62.288 -38.760 1.00 25.00 C ATOM 207 O VAL A 426 -2.094 -61.100 -38.831 1.00 25.00 O ATOM 208 CB VAL A 426 -4.699 -63.053 -39.524 1.00 25.00 C ATOM 209 CG1 VAL A 426 -5.285 -61.666 -39.254 1.00 25.00 C ATOM 210 CG2 VAL A 426 -5.488 -63.732 -40.649 1.00 25.00 C ATOM 0 H VAL A 426 -3.230 -65.060 -39.943 1.00 25.00 H new ATOM 0 HA VAL A 426 -3.103 -62.368 -40.813 1.00 25.00 H new ATOM 0 HB VAL A 426 -4.779 -63.650 -38.615 1.00 25.00 H new ATOM 0 HG11 VAL A 426 -6.339 -61.761 -38.994 1.00 25.00 H new ATOM 0 HG12 VAL A 426 -4.748 -61.199 -38.429 1.00 25.00 H new ATOM 0 HG13 VAL A 426 -5.186 -61.049 -40.147 1.00 25.00 H new ATOM 0 HG21 VAL A 426 -6.540 -63.791 -40.371 1.00 25.00 H new ATOM 0 HG22 VAL A 426 -5.387 -63.152 -41.566 1.00 25.00 H new ATOM 0 HG23 VAL A 426 -5.099 -64.737 -40.811 1.00 25.00 H new ATOM 220 N GLU A 427 -2.115 -63.052 -37.720 1.00 25.00 N ATOM 221 CA GLU A 427 -1.347 -62.538 -36.585 1.00 25.00 C ATOM 222 C GLU A 427 0.017 -62.042 -37.071 1.00 25.00 C ATOM 223 O GLU A 427 0.474 -60.963 -36.699 1.00 25.00 O ATOM 224 CB GLU A 427 -1.146 -63.642 -35.541 1.00 25.00 C ATOM 225 CG GLU A 427 -2.412 -64.033 -34.786 1.00 25.00 C ATOM 226 CD GLU A 427 -2.184 -65.222 -33.850 1.00 25.00 C ATOM 227 OE1 GLU A 427 -2.844 -66.270 -34.036 1.00 25.00 O ATOM 228 OE2 GLU A 427 -1.340 -65.109 -32.929 1.00 25.00 O ATOM 0 H GLU A 427 -2.386 -64.032 -37.635 1.00 25.00 H new ATOM 0 HA GLU A 427 -1.896 -61.713 -36.131 1.00 25.00 H new ATOM 0 HB2 GLU A 427 -0.746 -64.526 -36.037 1.00 25.00 H new ATOM 0 HB3 GLU A 427 -0.396 -63.313 -34.822 1.00 25.00 H new ATOM 0 HG2 GLU A 427 -2.766 -63.180 -34.207 1.00 25.00 H new ATOM 0 HG3 GLU A 427 -3.197 -64.281 -35.500 1.00 25.00 H new ATOM 235 N ALA A 428 0.668 -62.824 -37.919 1.00 25.00 N ATOM 236 CA ALA A 428 1.968 -62.434 -38.454 1.00 25.00 C ATOM 237 C ALA A 428 1.839 -61.187 -39.339 1.00 25.00 C ATOM 238 O ALA A 428 2.710 -60.310 -39.329 1.00 25.00 O ATOM 239 CB ALA A 428 2.570 -63.597 -39.252 1.00 25.00 C ATOM 0 H ALA A 428 0.323 -63.725 -38.250 1.00 25.00 H new ATOM 0 HA ALA A 428 2.631 -62.192 -37.623 1.00 25.00 H new ATOM 0 HB1 ALA A 428 3.541 -63.301 -39.650 1.00 25.00 H new ATOM 0 HB2 ALA A 428 2.693 -64.461 -38.599 1.00 25.00 H new ATOM 0 HB3 ALA A 428 1.904 -63.856 -40.075 1.00 25.00 H new ATOM 245 N ALA A 429 0.757 -61.117 -40.101 1.00 25.00 N ATOM 246 CA ALA A 429 0.527 -60.008 -41.015 1.00 25.00 C ATOM 247 C ALA A 429 0.385 -58.681 -40.277 1.00 25.00 C ATOM 248 O ALA A 429 0.977 -57.687 -40.682 1.00 25.00 O ATOM 249 CB ALA A 429 -0.721 -60.274 -41.864 1.00 25.00 C ATOM 0 H ALA A 429 0.019 -61.821 -40.104 1.00 25.00 H new ATOM 0 HA ALA A 429 1.399 -59.932 -41.664 1.00 25.00 H new ATOM 0 HB1 ALA A 429 -0.883 -59.438 -42.544 1.00 25.00 H new ATOM 0 HB2 ALA A 429 -0.581 -61.189 -42.440 1.00 25.00 H new ATOM 0 HB3 ALA A 429 -1.588 -60.385 -41.212 1.00 25.00 H new ATOM 255 N GLU A 430 -0.397 -58.636 -39.208 1.00 25.00 N ATOM 256 CA GLU A 430 -0.571 -57.368 -38.499 1.00 25.00 C ATOM 257 C GLU A 430 0.733 -56.960 -37.818 1.00 25.00 C ATOM 258 O GLU A 430 1.039 -55.767 -37.711 1.00 25.00 O ATOM 259 CB GLU A 430 -1.749 -57.397 -37.511 1.00 25.00 C ATOM 260 CG GLU A 430 -1.603 -58.333 -36.317 1.00 25.00 C ATOM 261 CD GLU A 430 -2.743 -58.168 -35.310 1.00 25.00 C ATOM 262 OE1 GLU A 430 -3.725 -57.452 -35.620 1.00 25.00 O ATOM 263 OE2 GLU A 430 -2.653 -58.745 -34.205 1.00 25.00 O ATOM 0 H GLU A 430 -0.907 -59.430 -38.820 1.00 25.00 H new ATOM 0 HA GLU A 430 -0.825 -56.610 -39.240 1.00 25.00 H new ATOM 0 HB2 GLU A 430 -1.907 -56.386 -37.136 1.00 25.00 H new ATOM 0 HB3 GLU A 430 -2.649 -57.678 -38.059 1.00 25.00 H new ATOM 0 HG2 GLU A 430 -1.577 -59.365 -36.668 1.00 25.00 H new ATOM 0 HG3 GLU A 430 -0.652 -58.141 -35.821 1.00 25.00 H new ATOM 270 N LEU A 431 1.521 -57.933 -37.383 1.00 25.00 N ATOM 271 CA LEU A 431 2.800 -57.631 -36.752 1.00 25.00 C ATOM 272 C LEU A 431 3.759 -57.002 -37.760 1.00 25.00 C ATOM 273 O LEU A 431 4.426 -56.009 -37.446 1.00 25.00 O ATOM 274 CB LEU A 431 3.419 -58.897 -36.150 1.00 25.00 C ATOM 275 CG LEU A 431 2.746 -59.429 -34.870 1.00 25.00 C ATOM 276 CD1 LEU A 431 3.288 -60.820 -34.548 1.00 25.00 C ATOM 277 CD2 LEU A 431 2.986 -58.494 -33.677 1.00 25.00 C ATOM 0 H LEU A 431 1.302 -58.927 -37.453 1.00 25.00 H new ATOM 0 HA LEU A 431 2.622 -56.917 -35.948 1.00 25.00 H new ATOM 0 HB2 LEU A 431 3.396 -59.684 -36.904 1.00 25.00 H new ATOM 0 HB3 LEU A 431 4.468 -58.697 -35.930 1.00 25.00 H new ATOM 0 HG LEU A 431 1.672 -59.479 -35.049 1.00 25.00 H new ATOM 0 HD11 LEU A 431 2.811 -61.196 -33.642 1.00 25.00 H new ATOM 0 HD12 LEU A 431 3.074 -61.495 -35.377 1.00 25.00 H new ATOM 0 HD13 LEU A 431 4.366 -60.764 -34.394 1.00 25.00 H new ATOM 0 HD21 LEU A 431 2.497 -58.901 -32.792 1.00 25.00 H new ATOM 0 HD22 LEU A 431 4.057 -58.407 -33.492 1.00 25.00 H new ATOM 0 HD23 LEU A 431 2.575 -57.509 -33.898 1.00 25.00 H new ATOM 289 N GLU A 432 3.842 -57.544 -38.969 1.00 25.00 N ATOM 290 CA GLU A 432 4.733 -56.953 -39.969 1.00 25.00 C ATOM 291 C GLU A 432 4.166 -55.641 -40.519 1.00 25.00 C ATOM 292 O GLU A 432 4.921 -54.730 -40.838 1.00 25.00 O ATOM 293 CB GLU A 432 5.097 -57.928 -41.101 1.00 25.00 C ATOM 294 CG GLU A 432 4.018 -58.215 -42.131 1.00 25.00 C ATOM 295 CD GLU A 432 4.613 -58.804 -43.396 1.00 25.00 C ATOM 296 OE1 GLU A 432 4.816 -58.032 -44.362 1.00 25.00 O ATOM 297 OE2 GLU A 432 4.895 -60.020 -43.429 1.00 25.00 O ATOM 0 H GLU A 432 3.323 -58.366 -39.278 1.00 25.00 H new ATOM 0 HA GLU A 432 5.665 -56.726 -39.451 1.00 25.00 H new ATOM 0 HB2 GLU A 432 5.968 -57.532 -41.623 1.00 25.00 H new ATOM 0 HB3 GLU A 432 5.397 -58.874 -40.651 1.00 25.00 H new ATOM 0 HG2 GLU A 432 3.287 -58.907 -41.713 1.00 25.00 H new ATOM 0 HG3 GLU A 432 3.485 -57.295 -42.370 1.00 25.00 H new ATOM 304 N MET A 433 2.847 -55.513 -40.609 1.00 25.00 N ATOM 305 CA MET A 433 2.260 -54.260 -41.080 1.00 25.00 C ATOM 306 C MET A 433 2.591 -53.162 -40.088 1.00 25.00 C ATOM 307 O MET A 433 2.881 -52.038 -40.485 1.00 25.00 O ATOM 308 CB MET A 433 0.746 -54.367 -41.262 1.00 25.00 C ATOM 309 CG MET A 433 0.357 -54.997 -42.591 1.00 25.00 C ATOM 310 SD MET A 433 -1.423 -54.914 -42.924 1.00 25.00 S ATOM 311 CE MET A 433 -2.079 -56.154 -41.796 1.00 25.00 C ATOM 0 H MET A 433 2.175 -56.242 -40.369 1.00 25.00 H new ATOM 0 HA MET A 433 2.683 -54.028 -42.058 1.00 25.00 H new ATOM 0 HB2 MET A 433 0.327 -54.959 -40.448 1.00 25.00 H new ATOM 0 HB3 MET A 433 0.305 -53.373 -41.193 1.00 25.00 H new ATOM 0 HG2 MET A 433 0.895 -54.495 -43.395 1.00 25.00 H new ATOM 0 HG3 MET A 433 0.674 -56.040 -42.598 1.00 25.00 H new ATOM 0 HE1 MET A 433 -3.021 -56.538 -42.186 1.00 25.00 H new ATOM 0 HE2 MET A 433 -1.365 -56.972 -41.700 1.00 25.00 H new ATOM 0 HE3 MET A 433 -2.248 -55.703 -40.818 1.00 25.00 H new ATOM 321 N THR A 434 2.577 -53.486 -38.803 1.00 25.00 N ATOM 322 CA THR A 434 2.950 -52.522 -37.769 1.00 25.00 C ATOM 323 C THR A 434 4.405 -52.088 -37.966 1.00 25.00 C ATOM 324 O THR A 434 4.744 -50.924 -37.775 1.00 25.00 O ATOM 325 CB THR A 434 2.766 -53.113 -36.349 1.00 25.00 C ATOM 326 OG1 THR A 434 1.412 -53.542 -36.186 1.00 25.00 O ATOM 327 CG2 THR A 434 3.042 -52.074 -35.274 1.00 25.00 C ATOM 0 H THR A 434 2.313 -54.405 -38.449 1.00 25.00 H new ATOM 0 HA THR A 434 2.292 -51.658 -37.861 1.00 25.00 H new ATOM 0 HB THR A 434 3.467 -53.942 -36.245 1.00 25.00 H new ATOM 0 HG1 THR A 434 1.250 -54.333 -36.741 1.00 25.00 H new ATOM 0 HG21 THR A 434 2.904 -52.523 -34.290 1.00 25.00 H new ATOM 0 HG22 THR A 434 4.067 -51.716 -35.369 1.00 25.00 H new ATOM 0 HG23 THR A 434 2.353 -51.237 -35.391 1.00 25.00 H new ATOM 335 N ARG A 435 5.274 -53.003 -38.373 1.00 25.00 N ATOM 336 CA ARG A 435 6.671 -52.635 -38.623 1.00 25.00 C ATOM 337 C ARG A 435 6.730 -51.684 -39.801 1.00 25.00 C ATOM 338 O ARG A 435 7.389 -50.659 -39.737 1.00 25.00 O ATOM 339 CB ARG A 435 7.532 -53.866 -38.933 1.00 25.00 C ATOM 340 CG ARG A 435 7.724 -54.807 -37.763 1.00 25.00 C ATOM 341 CD ARG A 435 8.670 -54.210 -36.741 1.00 25.00 C ATOM 342 NE ARG A 435 8.898 -55.139 -35.626 1.00 25.00 N ATOM 343 CZ ARG A 435 9.715 -54.917 -34.603 1.00 25.00 C ATOM 344 NH1 ARG A 435 10.424 -53.818 -34.501 1.00 25.00 N ATOM 345 NH2 ARG A 435 9.822 -55.821 -33.669 1.00 25.00 N ATOM 0 H ARG A 435 5.050 -53.985 -38.536 1.00 25.00 H new ATOM 0 HA ARG A 435 7.063 -52.161 -37.723 1.00 25.00 H new ATOM 0 HB2 ARG A 435 7.074 -54.417 -39.755 1.00 25.00 H new ATOM 0 HB3 ARG A 435 8.510 -53.532 -39.279 1.00 25.00 H new ATOM 0 HG2 ARG A 435 6.761 -55.015 -37.296 1.00 25.00 H new ATOM 0 HG3 ARG A 435 8.118 -55.759 -38.117 1.00 25.00 H new ATOM 0 HD2 ARG A 435 9.620 -53.969 -37.218 1.00 25.00 H new ATOM 0 HD3 ARG A 435 8.257 -53.275 -36.361 1.00 25.00 H new ATOM 0 HE ARG A 435 8.389 -56.023 -35.639 1.00 25.00 H new ATOM 0 HH11 ARG A 435 10.358 -53.100 -35.222 1.00 25.00 H new ATOM 0 HH12 ARG A 435 11.041 -53.682 -33.701 1.00 25.00 H new ATOM 0 HH21 ARG A 435 9.282 -56.684 -33.731 1.00 25.00 H new ATOM 0 HH22 ARG A 435 10.446 -55.665 -32.877 1.00 25.00 H new ATOM 359 N GLN A 436 6.031 -52.025 -40.868 1.00 25.00 N ATOM 360 CA GLN A 436 6.043 -51.218 -42.081 1.00 25.00 C ATOM 361 C GLN A 436 5.555 -49.795 -41.834 1.00 25.00 C ATOM 362 O GLN A 436 6.183 -48.839 -42.288 1.00 25.00 O ATOM 363 CB GLN A 436 5.183 -51.889 -43.157 1.00 25.00 C ATOM 364 CG GLN A 436 5.969 -52.769 -44.134 1.00 25.00 C ATOM 365 CD GLN A 436 6.573 -54.016 -43.496 1.00 25.00 C ATOM 366 OE1 GLN A 436 7.572 -53.946 -42.783 1.00 25.00 O ATOM 367 NE2 GLN A 436 5.985 -55.152 -43.763 1.00 25.00 N ATOM 0 H GLN A 436 5.445 -52.858 -40.922 1.00 25.00 H new ATOM 0 HA GLN A 436 7.077 -51.150 -42.421 1.00 25.00 H new ATOM 0 HB2 GLN A 436 4.422 -52.498 -42.670 1.00 25.00 H new ATOM 0 HB3 GLN A 436 4.660 -51.117 -43.722 1.00 25.00 H new ATOM 0 HG2 GLN A 436 5.308 -53.072 -44.946 1.00 25.00 H new ATOM 0 HG3 GLN A 436 6.769 -52.177 -44.578 1.00 25.00 H new ATOM 0 HE21 GLN A 436 5.158 -55.170 -44.359 1.00 25.00 H new ATOM 0 HE22 GLN A 436 6.353 -56.020 -43.375 1.00 25.00 H new ATOM 376 N VAL A 437 4.453 -49.638 -41.114 1.00 25.00 N ATOM 377 CA VAL A 437 3.925 -48.296 -40.844 1.00 25.00 C ATOM 378 C VAL A 437 4.841 -47.492 -39.925 1.00 25.00 C ATOM 379 O VAL A 437 5.013 -46.301 -40.113 1.00 25.00 O ATOM 380 CB VAL A 437 2.473 -48.319 -40.262 1.00 25.00 C ATOM 381 CG1 VAL A 437 1.498 -48.913 -41.296 1.00 25.00 C ATOM 382 CG2 VAL A 437 2.370 -49.082 -38.957 1.00 25.00 C ATOM 0 H VAL A 437 3.912 -50.403 -40.711 1.00 25.00 H new ATOM 0 HA VAL A 437 3.886 -47.801 -41.815 1.00 25.00 H new ATOM 0 HB VAL A 437 2.204 -47.285 -40.047 1.00 25.00 H new ATOM 0 HG11 VAL A 437 0.490 -48.925 -40.881 1.00 25.00 H new ATOM 0 HG12 VAL A 437 1.511 -48.304 -42.200 1.00 25.00 H new ATOM 0 HG13 VAL A 437 1.802 -49.931 -41.540 1.00 25.00 H new ATOM 0 HG21 VAL A 437 1.339 -49.062 -38.604 1.00 25.00 H new ATOM 0 HG22 VAL A 437 2.680 -50.115 -39.114 1.00 25.00 H new ATOM 0 HG23 VAL A 437 3.017 -48.619 -38.212 1.00 25.00 H new ATOM 392 N LEU A 438 5.445 -48.137 -38.941 1.00 25.00 N ATOM 393 CA LEU A 438 6.361 -47.439 -38.038 1.00 25.00 C ATOM 394 C LEU A 438 7.632 -47.004 -38.759 1.00 25.00 C ATOM 395 O LEU A 438 8.161 -45.932 -38.487 1.00 25.00 O ATOM 396 CB LEU A 438 6.737 -48.327 -36.848 1.00 25.00 C ATOM 397 CG LEU A 438 5.646 -48.520 -35.780 1.00 25.00 C ATOM 398 CD1 LEU A 438 6.118 -49.564 -34.767 1.00 25.00 C ATOM 399 CD2 LEU A 438 5.315 -47.210 -35.056 1.00 25.00 C ATOM 0 H LEU A 438 5.324 -49.130 -38.744 1.00 25.00 H new ATOM 0 HA LEU A 438 5.840 -46.552 -37.678 1.00 25.00 H new ATOM 0 HB2 LEU A 438 7.023 -49.308 -37.228 1.00 25.00 H new ATOM 0 HB3 LEU A 438 7.618 -47.902 -36.367 1.00 25.00 H new ATOM 0 HG LEU A 438 4.738 -48.857 -36.279 1.00 25.00 H new ATOM 0 HD11 LEU A 438 5.350 -49.706 -34.007 1.00 25.00 H new ATOM 0 HD12 LEU A 438 6.303 -50.509 -35.278 1.00 25.00 H new ATOM 0 HD13 LEU A 438 7.038 -49.222 -34.294 1.00 25.00 H new ATOM 0 HD21 LEU A 438 4.540 -47.392 -34.311 1.00 25.00 H new ATOM 0 HD22 LEU A 438 6.210 -46.830 -34.564 1.00 25.00 H new ATOM 0 HD23 LEU A 438 4.959 -46.475 -35.778 1.00 25.00 H new ATOM 720 N ALA A 462 -17.958 -33.668 -46.063 1.00 25.00 N ATOM 721 CA ALA A 462 -16.844 -33.712 -45.127 1.00 25.00 C ATOM 722 C ALA A 462 -17.360 -34.057 -43.728 1.00 25.00 C ATOM 723 O ALA A 462 -16.777 -34.884 -43.034 1.00 25.00 O ATOM 724 CB ALA A 462 -16.111 -32.371 -45.113 1.00 25.00 C ATOM 0 HA ALA A 462 -16.141 -34.482 -45.443 1.00 25.00 H new ATOM 0 HB1 ALA A 462 -15.280 -32.418 -44.409 1.00 25.00 H new ATOM 0 HB2 ALA A 462 -15.729 -32.155 -46.111 1.00 25.00 H new ATOM 0 HB3 ALA A 462 -16.800 -31.583 -44.809 1.00 25.00 H new ATOM 730 N LEU A 463 -18.460 -33.437 -43.315 1.00 25.00 N ATOM 731 CA LEU A 463 -19.024 -33.721 -42.003 1.00 25.00 C ATOM 732 C LEU A 463 -19.541 -35.155 -41.949 1.00 25.00 C ATOM 733 O LEU A 463 -19.383 -35.810 -40.940 1.00 25.00 O ATOM 734 CB LEU A 463 -20.091 -32.679 -41.623 1.00 25.00 C ATOM 735 CG LEU A 463 -21.596 -32.968 -41.772 1.00 25.00 C ATOM 736 CD1 LEU A 463 -22.168 -33.798 -40.619 1.00 25.00 C ATOM 737 CD2 LEU A 463 -22.318 -31.645 -41.827 1.00 25.00 C ATOM 0 H LEU A 463 -18.972 -32.744 -43.861 1.00 25.00 H new ATOM 0 HA LEU A 463 -18.240 -33.638 -41.251 1.00 25.00 H new ATOM 0 HB2 LEU A 463 -19.921 -32.421 -40.578 1.00 25.00 H new ATOM 0 HB3 LEU A 463 -19.882 -31.785 -42.210 1.00 25.00 H new ATOM 0 HG LEU A 463 -21.736 -33.553 -42.681 1.00 25.00 H new ATOM 0 HD11 LEU A 463 -23.232 -33.966 -40.785 1.00 25.00 H new ATOM 0 HD12 LEU A 463 -21.652 -34.757 -40.570 1.00 25.00 H new ATOM 0 HD13 LEU A 463 -22.027 -33.262 -39.680 1.00 25.00 H new ATOM 0 HD21 LEU A 463 -23.389 -31.819 -41.933 1.00 25.00 H new ATOM 0 HD22 LEU A 463 -22.130 -31.089 -40.908 1.00 25.00 H new ATOM 0 HD23 LEU A 463 -21.958 -31.069 -42.680 1.00 25.00 H new ATOM 749 N GLN A 464 -20.128 -35.669 -43.024 1.00 25.00 N ATOM 750 CA GLN A 464 -20.546 -37.073 -43.040 1.00 25.00 C ATOM 751 C GLN A 464 -19.347 -37.989 -42.830 1.00 25.00 C ATOM 752 O GLN A 464 -19.458 -39.034 -42.190 1.00 25.00 O ATOM 753 CB GLN A 464 -21.244 -37.416 -44.350 1.00 25.00 C ATOM 754 CG GLN A 464 -22.609 -36.783 -44.460 1.00 25.00 C ATOM 755 CD GLN A 464 -23.345 -37.217 -45.690 1.00 25.00 C ATOM 756 OE1 GLN A 464 -22.945 -36.958 -46.821 1.00 25.00 O ATOM 757 NE2 GLN A 464 -24.427 -37.892 -45.479 1.00 25.00 N ATOM 0 H GLN A 464 -20.324 -35.151 -43.881 1.00 25.00 H new ATOM 0 HA GLN A 464 -21.252 -37.225 -42.223 1.00 25.00 H new ATOM 0 HB2 GLN A 464 -20.626 -37.086 -45.185 1.00 25.00 H new ATOM 0 HB3 GLN A 464 -21.341 -38.498 -44.434 1.00 25.00 H new ATOM 0 HG2 GLN A 464 -23.197 -37.040 -43.579 1.00 25.00 H new ATOM 0 HG3 GLN A 464 -22.503 -35.698 -44.468 1.00 25.00 H new ATOM 0 HE21 GLN A 464 -24.728 -38.088 -44.524 1.00 25.00 H new ATOM 0 HE22 GLN A 464 -24.980 -38.229 -46.267 1.00 25.00 H new ATOM 766 N GLY A 465 -18.199 -37.576 -43.342 1.00 25.00 N ATOM 767 CA GLY A 465 -16.974 -38.321 -43.133 1.00 25.00 C ATOM 768 C GLY A 465 -16.631 -38.258 -41.664 1.00 25.00 C ATOM 769 O GLY A 465 -16.372 -39.277 -41.054 1.00 25.00 O ATOM 0 H GLY A 465 -18.092 -36.731 -43.903 1.00 25.00 H new ATOM 0 HA2 GLY A 465 -17.099 -39.356 -43.450 1.00 25.00 H new ATOM 0 HA3 GLY A 465 -16.166 -37.900 -43.731 1.00 25.00 H new ATOM 773 N ALA A 466 -16.659 -37.061 -41.094 1.00 25.00 N ATOM 774 CA ALA A 466 -16.362 -36.852 -39.675 1.00 25.00 C ATOM 775 C ALA A 466 -17.226 -37.740 -38.763 1.00 25.00 C ATOM 776 O ALA A 466 -16.755 -38.253 -37.757 1.00 25.00 O ATOM 777 CB ALA A 466 -16.567 -35.378 -39.318 1.00 25.00 C ATOM 0 H ALA A 466 -16.888 -36.205 -41.598 1.00 25.00 H new ATOM 0 HA ALA A 466 -15.322 -37.134 -39.510 1.00 25.00 H new ATOM 0 HB1 ALA A 466 -16.345 -35.225 -38.262 1.00 25.00 H new ATOM 0 HB2 ALA A 466 -15.901 -34.761 -39.921 1.00 25.00 H new ATOM 0 HB3 ALA A 466 -17.601 -35.096 -39.516 1.00 25.00 H new ATOM 783 N GLN A 467 -18.485 -37.928 -39.122 1.00 25.00 N ATOM 784 CA GLN A 467 -19.378 -38.776 -38.334 1.00 25.00 C ATOM 785 C GLN A 467 -18.995 -40.251 -38.472 1.00 25.00 C ATOM 786 O GLN A 467 -19.014 -41.003 -37.503 1.00 25.00 O ATOM 787 CB GLN A 467 -20.812 -38.620 -38.821 1.00 25.00 C ATOM 788 CG GLN A 467 -21.390 -37.204 -38.719 1.00 25.00 C ATOM 789 CD GLN A 467 -21.442 -36.655 -37.314 1.00 25.00 C ATOM 790 OE1 GLN A 467 -21.771 -37.347 -36.369 1.00 25.00 O ATOM 791 NE2 GLN A 467 -21.125 -35.391 -37.181 1.00 25.00 N ATOM 0 H GLN A 467 -18.914 -37.510 -39.948 1.00 25.00 H new ATOM 0 HA GLN A 467 -19.289 -38.467 -37.292 1.00 25.00 H new ATOM 0 HB2 GLN A 467 -20.861 -38.940 -39.862 1.00 25.00 H new ATOM 0 HB3 GLN A 467 -21.448 -39.296 -38.249 1.00 25.00 H new ATOM 0 HG2 GLN A 467 -20.791 -36.534 -39.336 1.00 25.00 H new ATOM 0 HG3 GLN A 467 -22.398 -37.205 -39.134 1.00 25.00 H new ATOM 0 HE21 GLN A 467 -20.854 -34.844 -37.998 1.00 25.00 H new ATOM 0 HE22 GLN A 467 -21.149 -34.953 -36.260 1.00 25.00 H new ATOM 800 N ALA A 468 -18.656 -40.667 -39.684 1.00 25.00 N ATOM 801 CA ALA A 468 -18.302 -42.060 -39.937 1.00 25.00 C ATOM 802 C ALA A 468 -16.983 -42.413 -39.247 1.00 25.00 C ATOM 803 O ALA A 468 -16.856 -43.464 -38.618 1.00 25.00 O ATOM 804 CB ALA A 468 -18.201 -42.307 -41.449 1.00 25.00 C ATOM 0 H ALA A 468 -18.618 -40.064 -40.506 1.00 25.00 H new ATOM 0 HA ALA A 468 -19.082 -42.701 -39.527 1.00 25.00 H new ATOM 0 HB1 ALA A 468 -17.936 -43.349 -41.631 1.00 25.00 H new ATOM 0 HB2 ALA A 468 -19.160 -42.089 -41.918 1.00 25.00 H new ATOM 0 HB3 ALA A 468 -17.434 -41.659 -41.873 1.00 25.00 H new ATOM 810 N VAL A 469 -16.002 -41.529 -39.354 1.00 25.00 N ATOM 811 CA VAL A 469 -14.699 -41.770 -38.741 1.00 25.00 C ATOM 812 C VAL A 469 -14.812 -41.712 -37.234 1.00 25.00 C ATOM 813 O VAL A 469 -14.033 -42.337 -36.552 1.00 25.00 O ATOM 814 CB VAL A 469 -13.587 -40.792 -39.229 1.00 25.00 C ATOM 815 CG1 VAL A 469 -13.454 -40.869 -40.745 1.00 25.00 C ATOM 816 CG2 VAL A 469 -13.869 -39.367 -38.800 1.00 25.00 C ATOM 0 H VAL A 469 -16.079 -40.644 -39.855 1.00 25.00 H new ATOM 0 HA VAL A 469 -14.394 -42.767 -39.058 1.00 25.00 H new ATOM 0 HB VAL A 469 -12.647 -41.096 -38.768 1.00 25.00 H new ATOM 0 HG11 VAL A 469 -12.675 -40.183 -41.077 1.00 25.00 H new ATOM 0 HG12 VAL A 469 -13.190 -41.886 -41.036 1.00 25.00 H new ATOM 0 HG13 VAL A 469 -14.402 -40.594 -41.208 1.00 25.00 H new ATOM 0 HG21 VAL A 469 -13.073 -38.715 -39.158 1.00 25.00 H new ATOM 0 HG22 VAL A 469 -14.821 -39.042 -39.220 1.00 25.00 H new ATOM 0 HG23 VAL A 469 -13.917 -39.317 -37.712 1.00 25.00 H new ATOM 826 N ALA A 470 -15.782 -40.979 -36.704 1.00 25.00 N ATOM 827 CA ALA A 470 -15.961 -40.894 -35.251 1.00 25.00 C ATOM 828 C ALA A 470 -16.154 -42.290 -34.645 1.00 25.00 C ATOM 829 O ALA A 470 -15.712 -42.550 -33.525 1.00 25.00 O ATOM 830 CB ALA A 470 -17.146 -39.988 -34.900 1.00 25.00 C ATOM 0 H ALA A 470 -16.454 -40.437 -37.248 1.00 25.00 H new ATOM 0 HA ALA A 470 -15.058 -40.456 -34.825 1.00 25.00 H new ATOM 0 HB1 ALA A 470 -17.259 -39.940 -33.817 1.00 25.00 H new ATOM 0 HB2 ALA A 470 -16.966 -38.986 -35.291 1.00 25.00 H new ATOM 0 HB3 ALA A 470 -18.057 -40.392 -35.343 1.00 25.00 H new ATOM 836 N ALA A 471 -16.791 -43.190 -35.385 1.00 25.00 N ATOM 837 CA ALA A 471 -16.974 -44.563 -34.920 1.00 25.00 C ATOM 838 C ALA A 471 -15.610 -45.263 -34.811 1.00 25.00 C ATOM 839 O ALA A 471 -15.370 -46.035 -33.886 1.00 25.00 O ATOM 840 CB ALA A 471 -17.898 -45.326 -35.875 1.00 25.00 C ATOM 0 H ALA A 471 -17.188 -42.997 -36.305 1.00 25.00 H new ATOM 0 HA ALA A 471 -17.438 -44.548 -33.934 1.00 25.00 H new ATOM 0 HB1 ALA A 471 -18.027 -46.348 -35.518 1.00 25.00 H new ATOM 0 HB2 ALA A 471 -18.868 -44.831 -35.916 1.00 25.00 H new ATOM 0 HB3 ALA A 471 -17.457 -45.343 -36.872 1.00 25.00 H new ATOM 846 N ALA A 472 -14.719 -44.977 -35.748 1.00 25.00 N ATOM 847 CA ALA A 472 -13.363 -45.522 -35.720 1.00 25.00 C ATOM 848 C ALA A 472 -12.531 -44.847 -34.620 1.00 25.00 C ATOM 849 O ALA A 472 -11.680 -45.474 -34.016 1.00 25.00 O ATOM 850 CB ALA A 472 -12.691 -45.345 -37.090 1.00 25.00 C ATOM 0 H ALA A 472 -14.909 -44.367 -36.543 1.00 25.00 H new ATOM 0 HA ALA A 472 -13.422 -46.587 -35.497 1.00 25.00 H new ATOM 0 HB1 ALA A 472 -11.682 -45.755 -37.056 1.00 25.00 H new ATOM 0 HB2 ALA A 472 -13.270 -45.870 -37.850 1.00 25.00 H new ATOM 0 HB3 ALA A 472 -12.644 -44.285 -37.338 1.00 25.00 H new ATOM 856 N GLN A 473 -12.781 -43.572 -34.361 1.00 25.00 N ATOM 857 CA GLN A 473 -12.032 -42.842 -33.341 1.00 25.00 C ATOM 858 C GLN A 473 -12.353 -43.352 -31.946 1.00 25.00 C ATOM 859 O GLN A 473 -11.463 -43.588 -31.141 1.00 25.00 O ATOM 860 CB GLN A 473 -12.342 -41.341 -33.391 1.00 25.00 C ATOM 861 CG GLN A 473 -11.946 -40.640 -34.688 1.00 25.00 C ATOM 862 CD GLN A 473 -10.456 -40.418 -34.836 1.00 25.00 C ATOM 863 OE1 GLN A 473 -9.687 -40.596 -33.908 1.00 25.00 O ATOM 864 NE2 GLN A 473 -10.049 -40.028 -36.015 1.00 25.00 N ATOM 0 H GLN A 473 -13.493 -43.020 -34.839 1.00 25.00 H new ATOM 0 HA GLN A 473 -10.976 -43.006 -33.555 1.00 25.00 H new ATOM 0 HB2 GLN A 473 -13.411 -41.201 -33.233 1.00 25.00 H new ATOM 0 HB3 GLN A 473 -11.831 -40.853 -32.562 1.00 25.00 H new ATOM 0 HG2 GLN A 473 -12.301 -41.232 -35.532 1.00 25.00 H new ATOM 0 HG3 GLN A 473 -12.454 -39.677 -34.738 1.00 25.00 H new ATOM 0 HE21 GLN A 473 -10.724 -39.890 -36.767 1.00 25.00 H new ATOM 0 HE22 GLN A 473 -9.057 -39.862 -36.183 1.00 25.00 H new ATOM 873 N ARG A 474 -13.631 -43.538 -31.651 1.00 25.00 N ATOM 874 CA ARG A 474 -14.015 -44.071 -30.335 1.00 25.00 C ATOM 875 C ARG A 474 -13.475 -45.492 -30.189 1.00 25.00 C ATOM 876 O ARG A 474 -13.219 -45.956 -29.086 1.00 25.00 O ATOM 877 CB ARG A 474 -15.536 -44.032 -30.123 1.00 25.00 C ATOM 878 CG ARG A 474 -16.337 -44.874 -31.099 1.00 25.00 C ATOM 879 CD ARG A 474 -17.835 -44.761 -30.868 1.00 25.00 C ATOM 880 NE ARG A 474 -18.246 -45.370 -29.588 1.00 25.00 N ATOM 881 CZ ARG A 474 -18.490 -46.664 -29.395 1.00 25.00 C ATOM 882 NH1 ARG A 474 -18.374 -47.555 -30.351 1.00 25.00 N ATOM 883 NH2 ARG A 474 -18.859 -47.071 -28.212 1.00 25.00 N ATOM 0 H ARG A 474 -14.408 -43.337 -32.280 1.00 25.00 H new ATOM 0 HA ARG A 474 -13.577 -43.438 -29.564 1.00 25.00 H new ATOM 0 HB2 ARG A 474 -15.756 -44.368 -29.110 1.00 25.00 H new ATOM 0 HB3 ARG A 474 -15.872 -42.998 -30.196 1.00 25.00 H new ATOM 0 HG2 ARG A 474 -16.105 -44.564 -32.118 1.00 25.00 H new ATOM 0 HG3 ARG A 474 -16.036 -45.917 -31.007 1.00 25.00 H new ATOM 0 HD2 ARG A 474 -18.125 -43.710 -30.879 1.00 25.00 H new ATOM 0 HD3 ARG A 474 -18.365 -45.247 -31.687 1.00 25.00 H new ATOM 0 HE ARG A 474 -18.352 -44.749 -28.786 1.00 25.00 H new ATOM 0 HH11 ARG A 474 -18.087 -47.265 -31.286 1.00 25.00 H new ATOM 0 HH12 ARG A 474 -18.571 -48.537 -30.159 1.00 25.00 H new ATOM 0 HH21 ARG A 474 -18.957 -46.401 -27.450 1.00 25.00 H new ATOM 0 HH22 ARG A 474 -19.049 -48.060 -28.049 1.00 25.00 H new ATOM 897 N LEU A 475 -13.296 -46.165 -31.316 1.00 25.00 N ATOM 898 CA LEU A 475 -12.735 -47.509 -31.335 1.00 25.00 C ATOM 899 C LEU A 475 -11.229 -47.470 -31.049 1.00 25.00 C ATOM 900 O LEU A 475 -10.763 -48.190 -30.179 1.00 25.00 O ATOM 901 CB LEU A 475 -13.027 -48.166 -32.698 1.00 25.00 C ATOM 902 CG LEU A 475 -11.957 -49.080 -33.319 1.00 25.00 C ATOM 903 CD1 LEU A 475 -11.798 -50.381 -32.517 1.00 25.00 C ATOM 904 CD2 LEU A 475 -12.322 -49.414 -34.752 1.00 25.00 C ATOM 0 H LEU A 475 -13.534 -45.798 -32.238 1.00 25.00 H new ATOM 0 HA LEU A 475 -13.201 -48.106 -30.551 1.00 25.00 H new ATOM 0 HB2 LEU A 475 -13.942 -48.750 -32.595 1.00 25.00 H new ATOM 0 HB3 LEU A 475 -13.236 -47.369 -33.412 1.00 25.00 H new ATOM 0 HG LEU A 475 -11.009 -48.542 -33.297 1.00 25.00 H new ATOM 0 HD11 LEU A 475 -11.034 -51.004 -32.982 1.00 25.00 H new ATOM 0 HD12 LEU A 475 -11.500 -50.145 -31.495 1.00 25.00 H new ATOM 0 HD13 LEU A 475 -12.746 -50.918 -32.503 1.00 25.00 H new ATOM 0 HD21 LEU A 475 -11.557 -50.061 -35.181 1.00 25.00 H new ATOM 0 HD22 LEU A 475 -13.284 -49.926 -34.773 1.00 25.00 H new ATOM 0 HD23 LEU A 475 -12.388 -48.495 -35.334 1.00 25.00 H new ATOM 916 N VAL A 476 -10.465 -46.645 -31.757 1.00 25.00 N ATOM 917 CA VAL A 476 -9.011 -46.625 -31.564 1.00 25.00 C ATOM 918 C VAL A 476 -8.702 -46.170 -30.146 1.00 25.00 C ATOM 919 O VAL A 476 -7.770 -46.658 -29.502 1.00 25.00 O ATOM 920 CB VAL A 476 -8.264 -45.766 -32.641 1.00 25.00 C ATOM 921 CG1 VAL A 476 -8.652 -44.308 -32.592 1.00 25.00 C ATOM 922 CG2 VAL A 476 -6.748 -45.913 -32.494 1.00 25.00 C ATOM 0 H VAL A 476 -10.815 -45.991 -32.458 1.00 25.00 H new ATOM 0 HA VAL A 476 -8.633 -47.638 -31.702 1.00 25.00 H new ATOM 0 HB VAL A 476 -8.571 -46.150 -33.614 1.00 25.00 H new ATOM 0 HG11 VAL A 476 -8.105 -43.760 -33.359 1.00 25.00 H new ATOM 0 HG12 VAL A 476 -9.723 -44.210 -32.770 1.00 25.00 H new ATOM 0 HG13 VAL A 476 -8.409 -43.900 -31.611 1.00 25.00 H new ATOM 0 HG21 VAL A 476 -6.249 -45.309 -33.251 1.00 25.00 H new ATOM 0 HG22 VAL A 476 -6.444 -45.576 -31.503 1.00 25.00 H new ATOM 0 HG23 VAL A 476 -6.470 -46.959 -32.623 1.00 25.00 H new ATOM 932 N HIS A 477 -9.513 -45.256 -29.645 1.00 25.00 N ATOM 933 CA HIS A 477 -9.366 -44.768 -28.298 1.00 25.00 C ATOM 934 C HIS A 477 -9.569 -45.898 -27.300 1.00 25.00 C ATOM 935 O HIS A 477 -8.895 -45.947 -26.287 1.00 25.00 O ATOM 936 CB HIS A 477 -10.377 -43.659 -28.048 1.00 25.00 C ATOM 937 CG HIS A 477 -10.146 -42.928 -26.766 1.00 25.00 C ATOM 938 ND1 HIS A 477 -11.134 -42.381 -25.985 1.00 25.00 N ATOM 939 CD2 HIS A 477 -8.988 -42.662 -26.105 1.00 25.00 C ATOM 940 CE1 HIS A 477 -10.561 -41.825 -24.921 1.00 25.00 C ATOM 941 NE2 HIS A 477 -9.251 -41.964 -24.944 1.00 25.00 N ATOM 0 H HIS A 477 -10.286 -44.837 -30.162 1.00 25.00 H new ATOM 0 HA HIS A 477 -8.358 -44.373 -28.169 1.00 25.00 H new ATOM 0 HB2 HIS A 477 -10.340 -42.950 -28.875 1.00 25.00 H new ATOM 0 HB3 HIS A 477 -11.380 -44.086 -28.039 1.00 25.00 H new ATOM 0 HD2 HIS A 477 -8.004 -42.955 -26.440 1.00 25.00 H new ATOM 0 HE1 HIS A 477 -11.103 -41.321 -24.134 1.00 25.00 H new ATOM 0 HE2 HIS A 477 -8.578 -41.629 -24.254 1.00 25.00 H new ATOM 949 N ALA A 478 -10.480 -46.818 -27.586 1.00 25.00 N ATOM 950 CA ALA A 478 -10.730 -47.928 -26.677 1.00 25.00 C ATOM 951 C ALA A 478 -9.453 -48.750 -26.482 1.00 25.00 C ATOM 952 O ALA A 478 -9.108 -49.106 -25.362 1.00 25.00 O ATOM 953 CB ALA A 478 -11.865 -48.810 -27.206 1.00 25.00 C ATOM 0 H ALA A 478 -11.052 -46.819 -28.430 1.00 25.00 H new ATOM 0 HA ALA A 478 -11.034 -47.526 -25.711 1.00 25.00 H new ATOM 0 HB1 ALA A 478 -12.038 -49.634 -26.514 1.00 25.00 H new ATOM 0 HB2 ALA A 478 -12.775 -48.216 -27.298 1.00 25.00 H new ATOM 0 HB3 ALA A 478 -11.591 -49.208 -28.183 1.00 25.00 H new ATOM 959 N ILE A 479 -8.746 -49.042 -27.564 1.00 25.00 N ATOM 960 CA ILE A 479 -7.519 -49.833 -27.464 1.00 25.00 C ATOM 961 C ILE A 479 -6.433 -49.008 -26.798 1.00 25.00 C ATOM 962 O ILE A 479 -5.632 -49.533 -26.046 1.00 25.00 O ATOM 963 CB ILE A 479 -7.005 -50.303 -28.839 1.00 25.00 C ATOM 964 CG1 ILE A 479 -8.111 -51.043 -29.594 1.00 25.00 C ATOM 965 CG2 ILE A 479 -5.787 -51.243 -28.691 1.00 25.00 C ATOM 966 CD1 ILE A 479 -8.396 -50.404 -30.886 1.00 25.00 C ATOM 0 H ILE A 479 -8.992 -48.750 -28.510 1.00 25.00 H new ATOM 0 HA ILE A 479 -7.758 -50.717 -26.872 1.00 25.00 H new ATOM 0 HB ILE A 479 -6.703 -49.416 -29.396 1.00 25.00 H new ATOM 0 HG12 ILE A 479 -7.813 -52.079 -29.756 1.00 25.00 H new ATOM 0 HG13 ILE A 479 -9.017 -51.063 -28.988 1.00 25.00 H new ATOM 0 HG21 ILE A 479 -5.448 -51.557 -29.678 1.00 25.00 H new ATOM 0 HG22 ILE A 479 -4.981 -50.716 -28.181 1.00 25.00 H new ATOM 0 HG23 ILE A 479 -6.072 -52.120 -28.109 1.00 25.00 H new ATOM 0 HD11 ILE A 479 -9.186 -50.954 -31.397 1.00 25.00 H new ATOM 0 HD12 ILE A 479 -8.718 -49.376 -30.720 1.00 25.00 H new ATOM 0 HD13 ILE A 479 -7.496 -50.408 -31.500 1.00 25.00 H new ATOM 978 N ALA A 480 -6.419 -47.708 -27.052 1.00 25.00 N ATOM 979 CA ALA A 480 -5.426 -46.827 -26.449 1.00 25.00 C ATOM 980 C ALA A 480 -5.527 -46.895 -24.917 1.00 25.00 C ATOM 981 O ALA A 480 -4.552 -46.672 -24.200 1.00 25.00 O ATOM 982 CB ALA A 480 -5.621 -45.388 -26.951 1.00 25.00 C ATOM 0 H ALA A 480 -7.082 -47.239 -27.670 1.00 25.00 H new ATOM 0 HA ALA A 480 -4.429 -47.156 -26.742 1.00 25.00 H new ATOM 0 HB1 ALA A 480 -4.874 -44.739 -26.494 1.00 25.00 H new ATOM 0 HB2 ALA A 480 -5.510 -45.363 -28.035 1.00 25.00 H new ATOM 0 HB3 ALA A 480 -6.618 -45.040 -26.681 1.00 25.00 H new ATOM 988 N LEU A 481 -6.712 -47.213 -24.415 1.00 25.00 N ATOM 989 CA LEU A 481 -6.899 -47.366 -22.970 1.00 25.00 C ATOM 990 C LEU A 481 -6.384 -48.711 -22.533 1.00 25.00 C ATOM 991 O LEU A 481 -5.727 -48.830 -21.519 1.00 25.00 O ATOM 992 CB LEU A 481 -8.363 -47.229 -22.583 1.00 25.00 C ATOM 993 CG LEU A 481 -8.885 -45.867 -23.011 1.00 25.00 C ATOM 994 CD1 LEU A 481 -10.390 -45.938 -23.180 1.00 25.00 C ATOM 995 CD2 LEU A 481 -8.508 -44.763 -22.030 1.00 25.00 C ATOM 0 H LEU A 481 -7.551 -47.369 -24.974 1.00 25.00 H new ATOM 0 HA LEU A 481 -6.341 -46.574 -22.470 1.00 25.00 H new ATOM 0 HB2 LEU A 481 -8.949 -48.018 -23.055 1.00 25.00 H new ATOM 0 HB3 LEU A 481 -8.476 -47.350 -21.506 1.00 25.00 H new ATOM 0 HG LEU A 481 -8.416 -45.612 -23.961 1.00 25.00 H new ATOM 0 HD11 LEU A 481 -10.768 -44.963 -23.487 1.00 25.00 H new ATOM 0 HD12 LEU A 481 -10.636 -46.679 -23.941 1.00 25.00 H new ATOM 0 HD13 LEU A 481 -10.849 -46.224 -22.234 1.00 25.00 H new ATOM 0 HD21 LEU A 481 -8.905 -43.811 -22.383 1.00 25.00 H new ATOM 0 HD22 LEU A 481 -8.926 -44.989 -21.049 1.00 25.00 H new ATOM 0 HD23 LEU A 481 -7.423 -44.698 -21.955 1.00 25.00 H new ATOM 1007 N MET A 482 -6.675 -49.734 -23.315 1.00 25.00 N ATOM 1008 CA MET A 482 -6.228 -51.084 -22.989 1.00 25.00 C ATOM 1009 C MET A 482 -4.723 -51.170 -22.969 1.00 25.00 C ATOM 1010 O MET A 482 -4.147 -51.974 -22.240 1.00 25.00 O ATOM 1011 CB MET A 482 -6.759 -52.085 -24.008 1.00 25.00 C ATOM 1012 CG MET A 482 -8.238 -52.062 -24.055 1.00 25.00 C ATOM 1013 SD MET A 482 -8.979 -53.575 -24.695 1.00 25.00 S ATOM 1014 CE MET A 482 -8.746 -53.363 -26.460 1.00 25.00 C ATOM 0 H MET A 482 -7.216 -49.661 -24.177 1.00 25.00 H new ATOM 0 HA MET A 482 -6.615 -51.322 -21.998 1.00 25.00 H new ATOM 0 HB2 MET A 482 -6.357 -51.853 -24.994 1.00 25.00 H new ATOM 0 HB3 MET A 482 -6.416 -53.087 -23.751 1.00 25.00 H new ATOM 0 HG2 MET A 482 -8.620 -51.880 -23.050 1.00 25.00 H new ATOM 0 HG3 MET A 482 -8.558 -51.224 -24.674 1.00 25.00 H new ATOM 0 HE1 MET A 482 -9.108 -54.248 -26.984 1.00 25.00 H new ATOM 0 HE2 MET A 482 -9.302 -52.488 -26.798 1.00 25.00 H new ATOM 0 HE3 MET A 482 -7.686 -53.224 -26.673 1.00 25.00 H new ATOM 1024 N THR A 483 -4.072 -50.348 -23.770 1.00 25.00 N ATOM 1025 CA THR A 483 -2.620 -50.448 -23.874 1.00 25.00 C ATOM 1026 C THR A 483 -1.964 -49.831 -22.653 1.00 25.00 C ATOM 1027 O THR A 483 -0.939 -50.324 -22.182 1.00 25.00 O ATOM 1028 CB THR A 483 -2.103 -49.818 -25.169 1.00 25.00 C ATOM 1029 OG1 THR A 483 -2.606 -48.490 -25.289 1.00 25.00 O ATOM 1030 CG2 THR A 483 -2.576 -50.630 -26.370 1.00 25.00 C ATOM 0 H THR A 483 -4.504 -49.624 -24.344 1.00 25.00 H new ATOM 0 HA THR A 483 -2.352 -51.504 -23.909 1.00 25.00 H new ATOM 0 HB THR A 483 -1.013 -49.805 -25.141 1.00 25.00 H new ATOM 0 HG1 THR A 483 -2.273 -48.088 -26.118 1.00 25.00 H new ATOM 0 HG21 THR A 483 -2.203 -50.174 -27.287 1.00 25.00 H new ATOM 0 HG22 THR A 483 -2.198 -51.649 -26.292 1.00 25.00 H new ATOM 0 HG23 THR A 483 -3.666 -50.648 -26.391 1.00 25.00 H new ATOM 1038 N GLN A 484 -2.556 -48.776 -22.111 1.00 25.00 N ATOM 1039 CA GLN A 484 -2.034 -48.188 -20.881 1.00 25.00 C ATOM 1040 C GLN A 484 -2.505 -48.988 -19.663 1.00 25.00 C ATOM 1041 O GLN A 484 -1.769 -49.106 -18.691 1.00 25.00 O ATOM 1042 CB GLN A 484 -2.382 -46.692 -20.769 1.00 25.00 C ATOM 1043 CG GLN A 484 -3.858 -46.359 -20.774 1.00 25.00 C ATOM 1044 CD GLN A 484 -4.110 -44.877 -20.893 1.00 25.00 C ATOM 1045 OE1 GLN A 484 -3.974 -44.135 -19.939 1.00 25.00 O ATOM 1046 NE2 GLN A 484 -4.467 -44.442 -22.072 1.00 25.00 N ATOM 0 H GLN A 484 -3.382 -48.315 -22.493 1.00 25.00 H new ATOM 0 HA GLN A 484 -0.946 -48.244 -20.912 1.00 25.00 H new ATOM 0 HB2 GLN A 484 -1.944 -46.304 -19.849 1.00 25.00 H new ATOM 0 HB3 GLN A 484 -1.907 -46.164 -21.596 1.00 25.00 H new ATOM 0 HG2 GLN A 484 -4.342 -46.875 -21.603 1.00 25.00 H new ATOM 0 HG3 GLN A 484 -4.315 -46.731 -19.857 1.00 25.00 H new ATOM 0 HE21 GLN A 484 -4.570 -45.097 -22.847 1.00 25.00 H new ATOM 0 HE22 GLN A 484 -4.642 -43.448 -22.217 1.00 25.00 H new ATOM 1055 N PHE A 485 -3.699 -49.572 -19.712 1.00 25.00 N ATOM 1056 CA PHE A 485 -4.185 -50.395 -18.603 1.00 25.00 C ATOM 1057 C PHE A 485 -3.327 -51.646 -18.479 1.00 25.00 C ATOM 1058 O PHE A 485 -3.134 -52.173 -17.390 1.00 25.00 O ATOM 1059 CB PHE A 485 -5.643 -50.791 -18.817 1.00 25.00 C ATOM 1060 CG PHE A 485 -6.616 -49.961 -18.021 1.00 25.00 C ATOM 1061 CD1 PHE A 485 -6.812 -50.225 -16.652 1.00 25.00 C ATOM 1062 CD2 PHE A 485 -7.337 -48.913 -18.624 1.00 25.00 C ATOM 1063 CE1 PHE A 485 -7.713 -49.447 -15.884 1.00 25.00 C ATOM 1064 CE2 PHE A 485 -8.242 -48.127 -17.866 1.00 25.00 C ATOM 1065 CZ PHE A 485 -8.428 -48.395 -16.494 1.00 25.00 C ATOM 0 H PHE A 485 -4.344 -49.494 -20.498 1.00 25.00 H new ATOM 0 HA PHE A 485 -4.118 -49.811 -17.685 1.00 25.00 H new ATOM 0 HB2 PHE A 485 -5.883 -50.701 -19.876 1.00 25.00 H new ATOM 0 HB3 PHE A 485 -5.769 -51.840 -18.549 1.00 25.00 H new ATOM 0 HD1 PHE A 485 -6.269 -51.031 -16.181 1.00 25.00 H new ATOM 0 HD2 PHE A 485 -7.200 -48.705 -19.675 1.00 25.00 H new ATOM 0 HE1 PHE A 485 -7.852 -49.659 -14.834 1.00 25.00 H new ATOM 0 HE2 PHE A 485 -8.788 -47.324 -18.339 1.00 25.00 H new ATOM 0 HZ PHE A 485 -9.115 -47.797 -15.913 1.00 25.00 H new