USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 429 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.541) USER MOD Single : A 436 ASN :FLIP amide:sc= -2.3 F(o=-4.4!,f=-2.3) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 CYS SG : rot -107:sc= 1.3 USER MOD Single : A 455 THR OG1 : rot -54:sc= -2.62! USER MOD Single : A 462 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.9!) USER MOD Single : A 474 THR OG1 : rot 180:sc= 0.00995 USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 483 MET CE :methyl -136:sc=-0.00445 (180deg=-0.0605) USER MOD Single : A 487 ASN : amide:sc= -4.04! C(o=-4!,f=-4.1!) USER MOD Single : A 489 CYS SG : rot -90:sc= -5.83! USER MOD ----------------------------------------------------------------- ATOM 34 N LYS A 429 9.538 -12.206 5.192 1.00 0.00 N ATOM 35 CA LYS A 429 10.197 -13.308 4.438 1.00 0.00 C ATOM 36 C LYS A 429 9.132 -14.225 3.836 1.00 0.00 C ATOM 37 O LYS A 429 8.125 -14.509 4.452 1.00 0.00 O ATOM 38 CB LYS A 429 11.086 -14.113 5.391 1.00 0.00 C ATOM 39 CG LYS A 429 12.022 -15.013 4.582 1.00 0.00 C ATOM 40 CD LYS A 429 12.932 -15.788 5.537 1.00 0.00 C ATOM 41 CE LYS A 429 13.244 -17.163 4.941 1.00 0.00 C ATOM 42 NZ LYS A 429 13.696 -17.001 3.530 1.00 0.00 N ATOM 0 HA LYS A 429 10.806 -12.888 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 429 11.667 -13.438 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 429 10.469 -14.717 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 429 11.442 -15.706 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 429 12.621 -14.412 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 429 13.856 -15.235 5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 429 12.447 -15.902 6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 429 14.018 -17.659 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 429 12.359 -17.798 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 14.290 -17.811 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 12.867 -16.956 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 14.246 -16.123 3.440 1.00 0.00 H new ATOM 56 N PRO A 430 9.364 -14.695 2.602 1.00 0.00 N ATOM 57 CA PRO A 430 8.427 -15.581 1.900 1.00 0.00 C ATOM 58 C PRO A 430 8.380 -16.978 2.527 1.00 0.00 C ATOM 59 O PRO A 430 9.397 -17.553 2.862 1.00 0.00 O ATOM 60 CB PRO A 430 9.005 -15.663 0.486 1.00 0.00 C ATOM 61 CG PRO A 430 10.458 -15.370 0.656 1.00 0.00 C ATOM 62 CD PRO A 430 10.561 -14.397 1.795 1.00 0.00 C ATOM 0 HA PRO A 430 7.405 -15.205 1.938 1.00 0.00 H new ATOM 0 HB2 PRO A 430 8.848 -16.650 0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 430 8.530 -14.941 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 430 11.016 -16.281 0.871 1.00 0.00 H new ATOM 0 HG3 PRO A 430 10.879 -14.947 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 430 11.478 -14.541 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 430 10.563 -13.365 1.444 1.00 0.00 H new ATOM 70 N ALA A 431 7.206 -17.530 2.689 1.00 0.00 N ATOM 71 CA ALA A 431 7.097 -18.888 3.294 1.00 0.00 C ATOM 72 C ALA A 431 7.485 -19.945 2.257 1.00 0.00 C ATOM 73 O ALA A 431 7.505 -19.687 1.069 1.00 0.00 O ATOM 74 CB ALA A 431 5.656 -19.127 3.750 1.00 0.00 C ATOM 0 H ALA A 431 6.319 -17.099 2.428 1.00 0.00 H new ATOM 0 HA ALA A 431 7.768 -18.958 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 431 5.574 -20.120 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 431 5.379 -18.376 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 431 4.987 -19.056 2.893 1.00 0.00 H new ATOM 80 N ASP A 432 7.801 -21.132 2.698 1.00 0.00 N ATOM 81 CA ASP A 432 8.196 -22.205 1.744 1.00 0.00 C ATOM 82 C ASP A 432 7.129 -22.355 0.658 1.00 0.00 C ATOM 83 O ASP A 432 7.435 -22.597 -0.493 1.00 0.00 O ATOM 84 CB ASP A 432 8.341 -23.529 2.499 1.00 0.00 C ATOM 85 CG ASP A 432 9.529 -23.442 3.459 1.00 0.00 C ATOM 86 OD1 ASP A 432 10.282 -22.488 3.353 1.00 0.00 O ATOM 87 OD2 ASP A 432 9.665 -24.330 4.284 1.00 0.00 O ATOM 0 H ASP A 432 7.802 -21.405 3.681 1.00 0.00 H new ATOM 0 HA ASP A 432 9.146 -21.940 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 432 7.428 -23.746 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 432 8.489 -24.347 1.794 1.00 0.00 H new ATOM 92 N ASP A 433 5.879 -22.216 1.005 1.00 0.00 N ATOM 93 CA ASP A 433 4.810 -22.356 -0.023 1.00 0.00 C ATOM 94 C ASP A 433 5.029 -21.307 -1.112 1.00 0.00 C ATOM 95 O ASP A 433 4.909 -21.579 -2.290 1.00 0.00 O ATOM 96 CB ASP A 433 3.441 -22.141 0.626 1.00 0.00 C ATOM 97 CG ASP A 433 3.195 -23.229 1.673 1.00 0.00 C ATOM 98 OD1 ASP A 433 3.946 -24.190 1.689 1.00 0.00 O ATOM 99 OD2 ASP A 433 2.259 -23.083 2.442 1.00 0.00 O ATOM 0 H ASP A 433 5.553 -22.013 1.950 1.00 0.00 H new ATOM 0 HA ASP A 433 4.847 -23.355 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 433 3.399 -21.157 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 433 2.659 -22.168 -0.133 1.00 0.00 H new ATOM 104 N LEU A 434 5.358 -20.110 -0.720 1.00 0.00 N ATOM 105 CA LEU A 434 5.597 -19.032 -1.716 1.00 0.00 C ATOM 106 C LEU A 434 6.933 -19.277 -2.413 1.00 0.00 C ATOM 107 O LEU A 434 7.060 -19.144 -3.614 1.00 0.00 O ATOM 108 CB LEU A 434 5.648 -17.689 -0.989 1.00 0.00 C ATOM 109 CG LEU A 434 5.353 -16.562 -1.976 1.00 0.00 C ATOM 110 CD1 LEU A 434 6.435 -16.540 -3.055 1.00 0.00 C ATOM 111 CD2 LEU A 434 3.986 -16.791 -2.624 1.00 0.00 C ATOM 0 H LEU A 434 5.472 -19.830 0.254 1.00 0.00 H new ATOM 0 HA LEU A 434 4.795 -19.025 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 434 4.920 -17.675 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 434 6.630 -17.544 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 434 5.345 -15.608 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 434 6.228 -15.736 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.408 -16.374 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.442 -17.494 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 434 3.778 -15.985 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 434 3.989 -17.744 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 434 3.216 -16.807 -1.853 1.00 0.00 H new ATOM 123 N LEU A 435 7.932 -19.629 -1.656 1.00 0.00 N ATOM 124 CA LEU A 435 9.277 -19.881 -2.248 1.00 0.00 C ATOM 125 C LEU A 435 9.226 -21.102 -3.167 1.00 0.00 C ATOM 126 O LEU A 435 9.843 -21.131 -4.212 1.00 0.00 O ATOM 127 CB LEU A 435 10.282 -20.139 -1.125 1.00 0.00 C ATOM 128 CG LEU A 435 10.651 -18.814 -0.456 1.00 0.00 C ATOM 129 CD1 LEU A 435 10.972 -19.059 1.020 1.00 0.00 C ATOM 130 CD2 LEU A 435 11.876 -18.217 -1.151 1.00 0.00 C ATOM 0 H LEU A 435 7.876 -19.754 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 435 9.581 -19.009 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 435 9.856 -20.823 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.176 -20.618 -1.525 1.00 0.00 H new ATOM 0 HG LEU A 435 9.813 -18.121 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 435 11.235 -18.115 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 435 10.100 -19.486 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 435 11.810 -19.752 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 435 12.140 -17.273 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 435 12.713 -18.910 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 435 11.649 -18.042 -2.203 1.00 0.00 H new ATOM 142 N ASN A 436 8.503 -22.115 -2.780 1.00 0.00 N ATOM 143 CA ASN A 436 8.425 -23.339 -3.626 1.00 0.00 C ATOM 144 C ASN A 436 7.282 -23.204 -4.636 1.00 0.00 C ATOM 145 O ASN A 436 7.082 -24.061 -5.475 1.00 0.00 O ATOM 146 CB ASN A 436 8.178 -24.557 -2.732 1.00 0.00 C ATOM 147 CG ASN A 436 9.281 -24.639 -1.674 1.00 0.00 C ATOM 148 OD1 ASN A 436 8.977 -24.462 -0.417 1.00 0.00 O flip ATOM 149 ND2 ASN A 436 10.431 -24.869 -1.995 1.00 0.00 N flip ATOM 0 H ASN A 436 7.963 -22.149 -1.915 1.00 0.00 H new ATOM 0 HA ASN A 436 9.364 -23.464 -4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 436 7.203 -24.478 -2.252 1.00 0.00 H new ATOM 0 HB3 ASN A 436 8.165 -25.467 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 436 10.668 -25.007 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 436 11.158 -24.924 -1.282 1.00 0.00 H new ATOM 156 N LEU A 437 6.533 -22.138 -4.569 1.00 0.00 N ATOM 157 CA LEU A 437 5.409 -21.962 -5.532 1.00 0.00 C ATOM 158 C LEU A 437 5.962 -21.895 -6.958 1.00 0.00 C ATOM 159 O LEU A 437 6.990 -21.298 -7.208 1.00 0.00 O ATOM 160 CB LEU A 437 4.660 -20.667 -5.218 1.00 0.00 C ATOM 161 CG LEU A 437 3.435 -20.557 -6.130 1.00 0.00 C ATOM 162 CD1 LEU A 437 2.578 -21.816 -5.987 1.00 0.00 C ATOM 163 CD2 LEU A 437 2.610 -19.331 -5.735 1.00 0.00 C ATOM 0 H LEU A 437 6.650 -21.384 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 437 4.726 -22.807 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 437 4.352 -20.656 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 437 5.316 -19.809 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 437 3.762 -20.455 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 437 1.706 -21.738 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 437 3.165 -22.690 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 437 2.252 -21.919 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 437 1.738 -19.254 -6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 437 2.283 -19.431 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 437 3.220 -18.433 -5.838 1.00 0.00 H new ATOM 175 N GLU A 438 5.285 -22.502 -7.895 1.00 0.00 N ATOM 176 CA GLU A 438 5.770 -22.470 -9.303 1.00 0.00 C ATOM 177 C GLU A 438 5.405 -21.126 -9.936 1.00 0.00 C ATOM 178 O GLU A 438 4.283 -20.670 -9.844 1.00 0.00 O ATOM 179 CB GLU A 438 5.116 -23.603 -10.098 1.00 0.00 C ATOM 180 CG GLU A 438 5.700 -23.639 -11.511 1.00 0.00 C ATOM 181 CD GLU A 438 4.987 -24.715 -12.333 1.00 0.00 C ATOM 182 OE1 GLU A 438 4.071 -25.323 -11.807 1.00 0.00 O ATOM 183 OE2 GLU A 438 5.370 -24.911 -13.476 1.00 0.00 O ATOM 0 H GLU A 438 4.418 -23.018 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 438 6.852 -22.598 -9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 438 5.286 -24.557 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 438 4.037 -23.454 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 438 5.584 -22.666 -11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 438 6.769 -23.848 -11.469 1.00 0.00 H new ATOM 190 N GLY A 439 6.346 -20.487 -10.577 1.00 0.00 N ATOM 191 CA GLY A 439 6.053 -19.171 -11.214 1.00 0.00 C ATOM 192 C GLY A 439 6.690 -18.053 -10.386 1.00 0.00 C ATOM 193 O GLY A 439 6.862 -16.944 -10.850 1.00 0.00 O ATOM 0 H GLY A 439 7.304 -20.819 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 439 6.443 -19.152 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 439 4.976 -19.019 -11.282 1.00 0.00 H new ATOM 197 N VAL A 440 7.040 -18.337 -9.162 1.00 0.00 N ATOM 198 CA VAL A 440 7.665 -17.292 -8.303 1.00 0.00 C ATOM 199 C VAL A 440 9.104 -17.694 -7.981 1.00 0.00 C ATOM 200 O VAL A 440 9.350 -18.665 -7.291 1.00 0.00 O ATOM 201 CB VAL A 440 6.863 -17.154 -7.007 1.00 0.00 C ATOM 202 CG1 VAL A 440 7.522 -16.108 -6.108 1.00 0.00 C ATOM 203 CG2 VAL A 440 5.435 -16.715 -7.336 1.00 0.00 C ATOM 0 H VAL A 440 6.920 -19.248 -8.719 1.00 0.00 H new ATOM 0 HA VAL A 440 7.667 -16.337 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 440 6.839 -18.114 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 440 6.951 -16.010 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 440 8.540 -16.419 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 440 7.546 -15.148 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 440 4.863 -16.616 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 440 5.459 -15.755 -7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 440 4.964 -17.460 -7.977 1.00 0.00 H new ATOM 213 N ASP A 441 10.060 -16.955 -8.476 1.00 0.00 N ATOM 214 CA ASP A 441 11.483 -17.295 -8.202 1.00 0.00 C ATOM 215 C ASP A 441 11.849 -16.836 -6.789 1.00 0.00 C ATOM 216 O ASP A 441 11.098 -16.133 -6.143 1.00 0.00 O ATOM 217 CB ASP A 441 12.386 -16.585 -9.216 1.00 0.00 C ATOM 218 CG ASP A 441 11.968 -16.973 -10.636 1.00 0.00 C ATOM 219 OD1 ASP A 441 11.318 -17.994 -10.783 1.00 0.00 O ATOM 220 OD2 ASP A 441 12.307 -16.241 -11.552 1.00 0.00 O ATOM 0 H ASP A 441 9.915 -16.130 -9.059 1.00 0.00 H new ATOM 0 HA ASP A 441 11.622 -18.373 -8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 441 12.315 -15.505 -9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 441 13.427 -16.859 -9.045 1.00 0.00 H new ATOM 225 N ARG A 442 12.997 -17.224 -6.308 1.00 0.00 N ATOM 226 CA ARG A 442 13.409 -16.807 -4.940 1.00 0.00 C ATOM 227 C ARG A 442 13.376 -15.282 -4.855 1.00 0.00 C ATOM 228 O ARG A 442 12.998 -14.710 -3.852 1.00 0.00 O ATOM 229 CB ARG A 442 14.828 -17.307 -4.663 1.00 0.00 C ATOM 230 CG ARG A 442 15.300 -16.788 -3.304 1.00 0.00 C ATOM 231 CD ARG A 442 16.745 -17.232 -3.065 1.00 0.00 C ATOM 232 NE ARG A 442 17.125 -16.958 -1.649 1.00 0.00 N ATOM 233 CZ ARG A 442 18.146 -17.573 -1.117 1.00 0.00 C ATOM 234 NH1 ARG A 442 19.310 -16.985 -1.070 1.00 0.00 N ATOM 235 NH2 ARG A 442 18.003 -18.775 -0.630 1.00 0.00 N ATOM 0 H ARG A 442 13.667 -17.812 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 442 12.728 -17.230 -4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 442 14.849 -18.397 -4.674 1.00 0.00 H new ATOM 0 HB3 ARG A 442 15.504 -16.967 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 442 15.232 -15.701 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 442 14.655 -17.169 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 442 16.850 -18.295 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 442 17.416 -16.702 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 442 16.587 -16.290 -1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 442 19.422 -16.045 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 442 20.108 -17.466 -0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 442 17.093 -19.234 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 442 18.801 -19.255 -0.214 1.00 0.00 H new ATOM 249 N ASP A 443 13.773 -14.623 -5.905 1.00 0.00 N ATOM 250 CA ASP A 443 13.774 -13.133 -5.899 1.00 0.00 C ATOM 251 C ASP A 443 12.337 -12.617 -5.802 1.00 0.00 C ATOM 252 O ASP A 443 12.026 -11.780 -4.978 1.00 0.00 O ATOM 253 CB ASP A 443 14.417 -12.619 -7.187 1.00 0.00 C ATOM 254 CG ASP A 443 15.919 -12.905 -7.155 1.00 0.00 C ATOM 255 OD1 ASP A 443 16.406 -13.285 -6.103 1.00 0.00 O ATOM 256 OD2 ASP A 443 16.555 -12.740 -8.182 1.00 0.00 O ATOM 0 H ASP A 443 14.098 -15.052 -6.771 1.00 0.00 H new ATOM 0 HA ASP A 443 14.343 -12.775 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 443 13.962 -13.102 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 443 14.242 -11.548 -7.292 1.00 0.00 H new ATOM 261 N LEU A 444 11.455 -13.103 -6.635 1.00 0.00 N ATOM 262 CA LEU A 444 10.044 -12.630 -6.578 1.00 0.00 C ATOM 263 C LEU A 444 9.485 -12.890 -5.180 1.00 0.00 C ATOM 264 O LEU A 444 8.619 -12.183 -4.703 1.00 0.00 O ATOM 265 CB LEU A 444 9.211 -13.383 -7.615 1.00 0.00 C ATOM 266 CG LEU A 444 7.923 -12.608 -7.902 1.00 0.00 C ATOM 267 CD1 LEU A 444 7.376 -13.023 -9.269 1.00 0.00 C ATOM 268 CD2 LEU A 444 6.883 -12.918 -6.822 1.00 0.00 C ATOM 0 H LEU A 444 11.651 -13.804 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 444 10.004 -11.562 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 444 9.784 -13.509 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 444 8.972 -14.381 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 444 8.136 -11.539 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 444 6.458 -12.472 -9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 444 8.114 -12.800 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 444 7.165 -14.092 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 444 5.967 -12.365 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 444 6.669 -13.987 -6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 444 7.272 -12.624 -5.847 1.00 0.00 H new ATOM 280 N ALA A 445 9.980 -13.898 -4.515 1.00 0.00 N ATOM 281 CA ALA A 445 9.485 -14.199 -3.145 1.00 0.00 C ATOM 282 C ALA A 445 9.808 -13.016 -2.233 1.00 0.00 C ATOM 283 O ALA A 445 9.078 -12.709 -1.313 1.00 0.00 O ATOM 284 CB ALA A 445 10.168 -15.463 -2.621 1.00 0.00 C ATOM 0 H ALA A 445 10.706 -14.525 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 445 8.407 -14.362 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 445 9.805 -15.683 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 445 9.940 -16.300 -3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 445 11.247 -15.308 -2.591 1.00 0.00 H new ATOM 290 N PHE A 446 10.897 -12.343 -2.490 1.00 0.00 N ATOM 291 CA PHE A 446 11.263 -11.172 -1.648 1.00 0.00 C ATOM 292 C PHE A 446 10.336 -10.006 -1.992 1.00 0.00 C ATOM 293 O PHE A 446 9.706 -9.426 -1.130 1.00 0.00 O ATOM 294 CB PHE A 446 12.715 -10.778 -1.925 1.00 0.00 C ATOM 295 CG PHE A 446 13.638 -11.784 -1.278 1.00 0.00 C ATOM 296 CD1 PHE A 446 13.750 -11.836 0.116 1.00 0.00 C ATOM 297 CD2 PHE A 446 14.383 -12.665 -2.073 1.00 0.00 C ATOM 298 CE1 PHE A 446 14.605 -12.767 0.716 1.00 0.00 C ATOM 299 CE2 PHE A 446 15.239 -13.596 -1.472 1.00 0.00 C ATOM 300 CZ PHE A 446 15.350 -13.647 -0.078 1.00 0.00 C ATOM 0 H PHE A 446 11.548 -12.555 -3.247 1.00 0.00 H new ATOM 0 HA PHE A 446 11.158 -11.425 -0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 446 12.895 -10.741 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 446 12.914 -9.780 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 446 13.176 -11.157 0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 446 14.297 -12.626 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 446 14.690 -12.807 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 446 15.814 -14.275 -2.085 1.00 0.00 H new ATOM 0 HZ PHE A 446 16.010 -14.365 0.385 1.00 0.00 H new ATOM 310 N LYS A 447 10.232 -9.669 -3.251 1.00 0.00 N ATOM 311 CA LYS A 447 9.329 -8.551 -3.647 1.00 0.00 C ATOM 312 C LYS A 447 7.902 -8.902 -3.230 1.00 0.00 C ATOM 313 O LYS A 447 7.125 -8.051 -2.847 1.00 0.00 O ATOM 314 CB LYS A 447 9.378 -8.361 -5.164 1.00 0.00 C ATOM 315 CG LYS A 447 8.687 -7.047 -5.530 1.00 0.00 C ATOM 316 CD LYS A 447 8.912 -6.745 -7.012 1.00 0.00 C ATOM 317 CE LYS A 447 8.212 -5.434 -7.374 1.00 0.00 C ATOM 318 NZ LYS A 447 9.188 -4.510 -8.016 1.00 0.00 N ATOM 0 H LYS A 447 10.732 -10.118 -4.018 1.00 0.00 H new ATOM 0 HA LYS A 447 9.648 -7.630 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 447 10.412 -8.350 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 447 8.886 -9.196 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 447 7.620 -7.115 -5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 447 9.081 -6.235 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 447 9.979 -6.671 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 447 8.523 -7.559 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 447 7.380 -5.629 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 447 7.794 -4.974 -6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 8.712 -3.619 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 9.968 -4.315 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 9.567 -4.950 -8.879 1.00 0.00 H new ATOM 332 N LEU A 448 7.558 -10.158 -3.299 1.00 0.00 N ATOM 333 CA LEU A 448 6.189 -10.586 -2.905 1.00 0.00 C ATOM 334 C LEU A 448 6.107 -10.643 -1.380 1.00 0.00 C ATOM 335 O LEU A 448 5.146 -10.204 -0.779 1.00 0.00 O ATOM 336 CB LEU A 448 5.911 -11.972 -3.500 1.00 0.00 C ATOM 337 CG LEU A 448 4.541 -12.490 -3.044 1.00 0.00 C ATOM 338 CD1 LEU A 448 4.679 -13.158 -1.674 1.00 0.00 C ATOM 339 CD2 LEU A 448 3.542 -11.332 -2.957 1.00 0.00 C ATOM 0 H LEU A 448 8.171 -10.910 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 448 5.448 -9.879 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 448 5.942 -11.920 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 448 6.690 -12.669 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 448 4.175 -13.217 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 448 3.706 -13.526 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 448 5.378 -13.992 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 448 5.052 -12.432 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 448 2.573 -11.711 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 448 3.902 -10.594 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 448 3.439 -10.866 -3.937 1.00 0.00 H new ATOM 351 N ALA A 449 7.113 -11.177 -0.745 1.00 0.00 N ATOM 352 CA ALA A 449 7.097 -11.259 0.743 1.00 0.00 C ATOM 353 C ALA A 449 7.278 -9.860 1.333 1.00 0.00 C ATOM 354 O ALA A 449 6.767 -9.550 2.391 1.00 0.00 O ATOM 355 CB ALA A 449 8.238 -12.164 1.215 1.00 0.00 C ATOM 0 H ALA A 449 7.946 -11.560 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 449 6.144 -11.672 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 449 8.228 -12.225 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 449 8.109 -13.161 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 449 9.191 -11.751 0.884 1.00 0.00 H new ATOM 361 N ALA A 450 8.003 -9.011 0.657 1.00 0.00 N ATOM 362 CA ALA A 450 8.220 -7.632 1.180 1.00 0.00 C ATOM 363 C ALA A 450 6.907 -6.845 1.113 1.00 0.00 C ATOM 364 O ALA A 450 6.790 -5.770 1.663 1.00 0.00 O ATOM 365 CB ALA A 450 9.277 -6.927 0.330 1.00 0.00 C ATOM 0 H ALA A 450 8.455 -9.213 -0.235 1.00 0.00 H new ATOM 0 HA ALA A 450 8.559 -7.686 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 450 9.437 -5.918 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 450 10.212 -7.485 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 450 8.937 -6.874 -0.704 1.00 0.00 H new ATOM 371 N ARG A 451 5.923 -7.373 0.441 1.00 0.00 N ATOM 372 CA ARG A 451 4.623 -6.651 0.337 1.00 0.00 C ATOM 373 C ARG A 451 3.655 -7.179 1.399 1.00 0.00 C ATOM 374 O ARG A 451 2.461 -6.968 1.324 1.00 0.00 O ATOM 375 CB ARG A 451 4.029 -6.872 -1.055 1.00 0.00 C ATOM 376 CG ARG A 451 4.854 -6.097 -2.086 1.00 0.00 C ATOM 377 CD ARG A 451 4.117 -6.086 -3.428 1.00 0.00 C ATOM 378 NE ARG A 451 2.901 -5.232 -3.321 1.00 0.00 N ATOM 379 CZ ARG A 451 1.732 -5.721 -3.631 1.00 0.00 C ATOM 380 NH1 ARG A 451 0.921 -6.117 -2.689 1.00 0.00 N ATOM 381 NH2 ARG A 451 1.374 -5.815 -4.882 1.00 0.00 N ATOM 0 H ARG A 451 5.961 -8.272 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 451 4.786 -5.585 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 451 4.028 -7.935 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 451 2.992 -6.539 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 451 5.019 -5.076 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 451 5.835 -6.557 -2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 451 4.773 -5.707 -4.212 1.00 0.00 H new ATOM 0 HD3 ARG A 451 3.838 -7.101 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 451 2.982 -4.265 -3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 451 1.201 -6.044 -1.711 1.00 0.00 H new ATOM 0 HH12 ARG A 451 0.007 -6.499 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 451 2.008 -5.506 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 451 0.460 -6.197 -5.123 1.00 0.00 H new ATOM 395 N GLY A 452 4.160 -7.864 2.390 1.00 0.00 N ATOM 396 CA GLY A 452 3.265 -8.403 3.454 1.00 0.00 C ATOM 397 C GLY A 452 2.817 -9.817 3.074 1.00 0.00 C ATOM 398 O GLY A 452 2.279 -10.548 3.880 1.00 0.00 O ATOM 0 H GLY A 452 5.151 -8.073 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 452 3.788 -8.420 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 452 2.397 -7.755 3.577 1.00 0.00 H new ATOM 402 N VAL A 453 3.038 -10.207 1.848 1.00 0.00 N ATOM 403 CA VAL A 453 2.629 -11.572 1.411 1.00 0.00 C ATOM 404 C VAL A 453 3.754 -12.562 1.730 1.00 0.00 C ATOM 405 O VAL A 453 4.358 -13.138 0.850 1.00 0.00 O ATOM 406 CB VAL A 453 2.365 -11.551 -0.098 1.00 0.00 C ATOM 407 CG1 VAL A 453 1.502 -12.750 -0.489 1.00 0.00 C ATOM 408 CG2 VAL A 453 1.630 -10.260 -0.463 1.00 0.00 C ATOM 0 H VAL A 453 3.485 -9.638 1.129 1.00 0.00 H new ATOM 0 HA VAL A 453 1.724 -11.879 1.935 1.00 0.00 H new ATOM 0 HB VAL A 453 3.314 -11.601 -0.631 1.00 0.00 H new ATOM 0 HG11 VAL A 453 1.317 -12.730 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 453 2.020 -13.672 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 453 0.552 -12.704 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.440 -10.240 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 453 0.683 -10.216 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.243 -9.402 -0.188 1.00 0.00 H new ATOM 418 N CYS A 454 4.047 -12.756 2.987 1.00 0.00 N ATOM 419 CA CYS A 454 5.141 -13.698 3.363 1.00 0.00 C ATOM 420 C CYS A 454 4.656 -15.145 3.257 1.00 0.00 C ATOM 421 O CYS A 454 5.429 -16.072 3.391 1.00 0.00 O ATOM 422 CB CYS A 454 5.575 -13.421 4.802 1.00 0.00 C ATOM 423 SG CYS A 454 6.434 -11.829 4.879 1.00 0.00 S ATOM 0 H CYS A 454 3.576 -12.303 3.770 1.00 0.00 H new ATOM 0 HA CYS A 454 5.981 -13.552 2.683 1.00 0.00 H new ATOM 0 HB2 CYS A 454 4.706 -13.409 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 454 6.230 -14.217 5.155 1.00 0.00 H new ATOM 0 HG CYS A 454 7.707 -12.030 5.052 1.00 0.00 H new ATOM 429 N THR A 455 3.390 -15.356 3.028 1.00 0.00 N ATOM 430 CA THR A 455 2.893 -16.755 2.928 1.00 0.00 C ATOM 431 C THR A 455 2.135 -16.948 1.616 1.00 0.00 C ATOM 432 O THR A 455 1.483 -16.049 1.124 1.00 0.00 O ATOM 433 CB THR A 455 1.960 -17.055 4.103 1.00 0.00 C ATOM 434 OG1 THR A 455 1.192 -15.897 4.403 1.00 0.00 O ATOM 435 CG2 THR A 455 2.786 -17.452 5.329 1.00 0.00 C ATOM 0 H THR A 455 2.685 -14.629 2.907 1.00 0.00 H new ATOM 0 HA THR A 455 3.744 -17.436 2.954 1.00 0.00 H new ATOM 0 HB THR A 455 1.294 -17.876 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 455 1.792 -15.137 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 455 2.119 -17.665 6.164 1.00 0.00 H new ATOM 0 HG22 THR A 455 3.374 -18.340 5.099 1.00 0.00 H new ATOM 0 HG23 THR A 455 3.454 -16.634 5.598 1.00 0.00 H new ATOM 443 N LEU A 456 2.211 -18.122 1.053 1.00 0.00 N ATOM 444 CA LEU A 456 1.492 -18.383 -0.222 1.00 0.00 C ATOM 445 C LEU A 456 0.024 -17.984 -0.057 1.00 0.00 C ATOM 446 O LEU A 456 -0.573 -17.401 -0.939 1.00 0.00 O ATOM 447 CB LEU A 456 1.586 -19.873 -0.560 1.00 0.00 C ATOM 448 CG LEU A 456 0.899 -20.139 -1.900 1.00 0.00 C ATOM 449 CD1 LEU A 456 1.945 -20.151 -3.019 1.00 0.00 C ATOM 450 CD2 LEU A 456 0.194 -21.494 -1.847 1.00 0.00 C ATOM 0 H LEU A 456 2.741 -18.912 1.422 1.00 0.00 H new ATOM 0 HA LEU A 456 1.940 -17.802 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 456 2.631 -20.180 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 456 1.116 -20.465 0.225 1.00 0.00 H new ATOM 0 HG LEU A 456 0.168 -19.354 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 456 1.454 -20.341 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 456 2.450 -19.185 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 456 2.677 -20.935 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 456 -0.297 -21.686 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 456 0.926 -22.278 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 456 -0.551 -21.486 -1.051 1.00 0.00 H new ATOM 462 N GLU A 457 -0.556 -18.281 1.075 1.00 0.00 N ATOM 463 CA GLU A 457 -1.979 -17.905 1.305 1.00 0.00 C ATOM 464 C GLU A 457 -2.121 -16.396 1.145 1.00 0.00 C ATOM 465 O GLU A 457 -3.073 -15.901 0.573 1.00 0.00 O ATOM 466 CB GLU A 457 -2.387 -18.299 2.724 1.00 0.00 C ATOM 467 CG GLU A 457 -3.902 -18.513 2.780 1.00 0.00 C ATOM 468 CD GLU A 457 -4.338 -18.688 4.236 1.00 0.00 C ATOM 469 OE1 GLU A 457 -3.472 -18.850 5.079 1.00 0.00 O ATOM 470 OE2 GLU A 457 -5.533 -18.656 4.483 1.00 0.00 O ATOM 0 H GLU A 457 -0.105 -18.768 1.850 1.00 0.00 H new ATOM 0 HA GLU A 457 -2.617 -18.420 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 457 -1.869 -19.210 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 457 -2.093 -17.520 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 457 -4.417 -17.662 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 457 -4.178 -19.393 2.198 1.00 0.00 H new ATOM 477 N ASP A 458 -1.166 -15.664 1.640 1.00 0.00 N ATOM 478 CA ASP A 458 -1.222 -14.183 1.512 1.00 0.00 C ATOM 479 C ASP A 458 -1.304 -13.828 0.028 1.00 0.00 C ATOM 480 O ASP A 458 -1.948 -12.871 -0.360 1.00 0.00 O ATOM 481 CB ASP A 458 0.038 -13.565 2.118 1.00 0.00 C ATOM 482 CG ASP A 458 0.010 -13.734 3.639 1.00 0.00 C ATOM 483 OD1 ASP A 458 -1.030 -14.108 4.154 1.00 0.00 O ATOM 484 OD2 ASP A 458 1.030 -13.488 4.261 1.00 0.00 O ATOM 0 H ASP A 458 -0.348 -16.027 2.129 1.00 0.00 H new ATOM 0 HA ASP A 458 -2.094 -13.796 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 458 0.926 -14.044 1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 458 0.097 -12.508 1.860 1.00 0.00 H new ATOM 489 N LEU A 459 -0.663 -14.601 -0.807 1.00 0.00 N ATOM 490 CA LEU A 459 -0.705 -14.322 -2.268 1.00 0.00 C ATOM 491 C LEU A 459 -2.086 -14.698 -2.804 1.00 0.00 C ATOM 492 O LEU A 459 -2.604 -14.076 -3.710 1.00 0.00 O ATOM 493 CB LEU A 459 0.367 -15.154 -2.979 1.00 0.00 C ATOM 494 CG LEU A 459 0.318 -14.880 -4.483 1.00 0.00 C ATOM 495 CD1 LEU A 459 0.980 -13.532 -4.776 1.00 0.00 C ATOM 496 CD2 LEU A 459 1.066 -15.988 -5.227 1.00 0.00 C ATOM 0 H LEU A 459 -0.111 -15.415 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 459 -0.515 -13.264 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 459 1.353 -14.906 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 459 0.205 -16.215 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 459 -0.720 -14.856 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 459 0.946 -13.335 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 459 0.448 -12.742 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 459 2.018 -13.557 -4.444 1.00 0.00 H new ATOM 0 HD21 LEU A 459 1.032 -15.794 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 459 2.104 -16.012 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 459 0.596 -16.949 -5.017 1.00 0.00 H new ATOM 508 N ALA A 460 -2.691 -15.708 -2.241 1.00 0.00 N ATOM 509 CA ALA A 460 -4.044 -16.119 -2.707 1.00 0.00 C ATOM 510 C ALA A 460 -5.019 -14.963 -2.479 1.00 0.00 C ATOM 511 O ALA A 460 -6.002 -14.815 -3.179 1.00 0.00 O ATOM 512 CB ALA A 460 -4.509 -17.341 -1.911 1.00 0.00 C ATOM 0 H ALA A 460 -2.306 -16.266 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 460 -4.009 -16.371 -3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -5.500 -17.642 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.808 -18.162 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -4.551 -17.090 -0.851 1.00 0.00 H new ATOM 518 N GLU A 461 -4.749 -14.142 -1.501 1.00 0.00 N ATOM 519 CA GLU A 461 -5.652 -12.992 -1.217 1.00 0.00 C ATOM 520 C GLU A 461 -5.318 -11.830 -2.153 1.00 0.00 C ATOM 521 O GLU A 461 -6.028 -10.846 -2.210 1.00 0.00 O ATOM 522 CB GLU A 461 -5.466 -12.542 0.233 1.00 0.00 C ATOM 523 CG GLU A 461 -5.897 -13.666 1.177 1.00 0.00 C ATOM 524 CD GLU A 461 -5.756 -13.196 2.627 1.00 0.00 C ATOM 525 OE1 GLU A 461 -5.204 -12.127 2.831 1.00 0.00 O ATOM 526 OE2 GLU A 461 -6.202 -13.913 3.507 1.00 0.00 O ATOM 0 H GLU A 461 -3.940 -14.219 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 461 -6.685 -13.300 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 461 -4.423 -12.282 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 461 -6.056 -11.646 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 461 -6.930 -13.950 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 461 -5.284 -14.552 1.009 1.00 0.00 H new ATOM 533 N GLN A 462 -4.243 -11.929 -2.888 1.00 0.00 N ATOM 534 CA GLN A 462 -3.878 -10.820 -3.814 1.00 0.00 C ATOM 535 C GLN A 462 -4.701 -10.934 -5.093 1.00 0.00 C ATOM 536 O GLN A 462 -5.274 -11.963 -5.388 1.00 0.00 O ATOM 537 CB GLN A 462 -2.394 -10.903 -4.171 1.00 0.00 C ATOM 538 CG GLN A 462 -1.582 -11.256 -2.927 1.00 0.00 C ATOM 539 CD GLN A 462 -1.442 -10.020 -2.040 1.00 0.00 C ATOM 540 OE1 GLN A 462 -1.269 -8.921 -2.530 1.00 0.00 O ATOM 541 NE2 GLN A 462 -1.511 -10.152 -0.744 1.00 0.00 N ATOM 0 H GLN A 462 -3.605 -12.725 -2.887 1.00 0.00 H new ATOM 0 HA GLN A 462 -4.081 -9.868 -3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 462 -2.238 -11.656 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 462 -2.055 -9.951 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 462 -2.072 -12.058 -2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 462 -0.597 -11.623 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 462 -1.656 -11.074 -0.332 1.00 0.00 H new ATOM 0 HE22 GLN A 462 -1.420 -9.333 -0.142 1.00 0.00 H new ATOM 550 N GLY A 463 -4.760 -9.881 -5.858 1.00 0.00 N ATOM 551 CA GLY A 463 -5.542 -9.921 -7.124 1.00 0.00 C ATOM 552 C GLY A 463 -4.636 -9.516 -8.288 1.00 0.00 C ATOM 553 O GLY A 463 -3.624 -8.869 -8.104 1.00 0.00 O ATOM 0 H GLY A 463 -4.299 -8.993 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -5.940 -10.923 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -6.395 -9.246 -7.060 1.00 0.00 H new ATOM 557 N ILE A 464 -4.987 -9.894 -9.484 1.00 0.00 N ATOM 558 CA ILE A 464 -4.145 -9.533 -10.658 1.00 0.00 C ATOM 559 C ILE A 464 -3.797 -8.045 -10.609 1.00 0.00 C ATOM 560 O ILE A 464 -2.690 -7.645 -10.907 1.00 0.00 O ATOM 561 CB ILE A 464 -4.916 -9.833 -11.944 1.00 0.00 C ATOM 562 CG1 ILE A 464 -5.243 -11.326 -12.006 1.00 0.00 C ATOM 563 CG2 ILE A 464 -4.062 -9.446 -13.152 1.00 0.00 C ATOM 564 CD1 ILE A 464 -6.094 -11.611 -13.245 1.00 0.00 C ATOM 0 H ILE A 464 -5.822 -10.438 -9.700 1.00 0.00 H new ATOM 0 HA ILE A 464 -3.225 -10.117 -10.636 1.00 0.00 H new ATOM 0 HB ILE A 464 -5.842 -9.258 -11.955 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -4.323 -11.909 -12.042 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -5.778 -11.630 -11.106 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -4.611 -9.660 -14.069 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -3.830 -8.382 -13.108 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -3.136 -10.020 -13.142 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -6.327 -12.675 -13.289 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -7.020 -11.039 -13.190 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -5.542 -11.323 -14.140 1.00 0.00 H new ATOM 576 N ASP A 465 -4.737 -7.223 -10.239 1.00 0.00 N ATOM 577 CA ASP A 465 -4.466 -5.757 -10.174 1.00 0.00 C ATOM 578 C ASP A 465 -3.488 -5.462 -9.036 1.00 0.00 C ATOM 579 O ASP A 465 -2.633 -4.605 -9.146 1.00 0.00 O ATOM 580 CB ASP A 465 -5.775 -5.008 -9.927 1.00 0.00 C ATOM 581 CG ASP A 465 -6.700 -5.185 -11.134 1.00 0.00 C ATOM 582 OD1 ASP A 465 -6.216 -5.608 -12.171 1.00 0.00 O ATOM 583 OD2 ASP A 465 -7.877 -4.893 -11.001 1.00 0.00 O ATOM 0 H ASP A 465 -5.683 -7.501 -9.978 1.00 0.00 H new ATOM 0 HA ASP A 465 -4.030 -5.429 -11.118 1.00 0.00 H new ATOM 0 HB2 ASP A 465 -6.258 -5.386 -9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 465 -5.575 -3.949 -9.761 1.00 0.00 H new ATOM 588 N ASP A 466 -3.607 -6.161 -7.942 1.00 0.00 N ATOM 589 CA ASP A 466 -2.684 -5.919 -6.797 1.00 0.00 C ATOM 590 C ASP A 466 -1.253 -6.269 -7.212 1.00 0.00 C ATOM 591 O ASP A 466 -0.328 -5.512 -6.991 1.00 0.00 O ATOM 592 CB ASP A 466 -3.099 -6.794 -5.611 1.00 0.00 C ATOM 593 CG ASP A 466 -2.292 -6.391 -4.375 1.00 0.00 C ATOM 594 OD1 ASP A 466 -1.533 -5.441 -4.471 1.00 0.00 O ATOM 595 OD2 ASP A 466 -2.448 -7.041 -3.354 1.00 0.00 O ATOM 0 H ASP A 466 -4.304 -6.890 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 466 -2.733 -4.869 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 466 -4.165 -6.679 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 466 -2.929 -7.845 -5.843 1.00 0.00 H new ATOM 600 N LEU A 467 -1.063 -7.413 -7.811 1.00 0.00 N ATOM 601 CA LEU A 467 0.306 -7.812 -8.240 1.00 0.00 C ATOM 602 C LEU A 467 0.730 -6.971 -9.445 1.00 0.00 C ATOM 603 O LEU A 467 1.902 -6.799 -9.715 1.00 0.00 O ATOM 604 CB LEU A 467 0.306 -9.292 -8.628 1.00 0.00 C ATOM 605 CG LEU A 467 0.539 -10.150 -7.383 1.00 0.00 C ATOM 606 CD1 LEU A 467 -0.657 -10.012 -6.438 1.00 0.00 C ATOM 607 CD2 LEU A 467 0.694 -11.615 -7.795 1.00 0.00 C ATOM 0 H LEU A 467 -1.798 -8.088 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 467 1.005 -7.649 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 467 -0.644 -9.557 -9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 467 1.085 -9.485 -9.366 1.00 0.00 H new ATOM 0 HG LEU A 467 1.445 -9.816 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 467 -0.492 -10.623 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 467 -0.770 -8.968 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 467 -1.562 -10.346 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 467 0.860 -12.227 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 467 -0.212 -11.948 -8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 467 1.544 -11.715 -8.469 1.00 0.00 H new ATOM 619 N ALA A 468 -0.217 -6.444 -10.172 1.00 0.00 N ATOM 620 CA ALA A 468 0.127 -5.615 -11.361 1.00 0.00 C ATOM 621 C ALA A 468 1.170 -4.567 -10.972 1.00 0.00 C ATOM 622 O ALA A 468 2.017 -4.197 -11.761 1.00 0.00 O ATOM 623 CB ALA A 468 -1.133 -4.915 -11.874 1.00 0.00 C ATOM 0 H ALA A 468 -1.215 -6.552 -9.993 1.00 0.00 H new ATOM 0 HA ALA A 468 0.533 -6.255 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA A 468 -0.883 -4.308 -12.744 1.00 0.00 H new ATOM 0 HB2 ALA A 468 -1.876 -5.662 -12.154 1.00 0.00 H new ATOM 0 HB3 ALA A 468 -1.539 -4.276 -11.090 1.00 0.00 H new ATOM 629 N ASP A 469 1.115 -4.084 -9.763 1.00 0.00 N ATOM 630 CA ASP A 469 2.103 -3.061 -9.325 1.00 0.00 C ATOM 631 C ASP A 469 3.509 -3.662 -9.358 1.00 0.00 C ATOM 632 O ASP A 469 4.488 -2.967 -9.547 1.00 0.00 O ATOM 633 CB ASP A 469 1.774 -2.610 -7.901 1.00 0.00 C ATOM 634 CG ASP A 469 0.431 -1.880 -7.894 1.00 0.00 C ATOM 635 OD1 ASP A 469 -0.019 -1.498 -8.962 1.00 0.00 O ATOM 636 OD2 ASP A 469 -0.126 -1.715 -6.821 1.00 0.00 O ATOM 0 H ASP A 469 0.428 -4.354 -9.059 1.00 0.00 H new ATOM 0 HA ASP A 469 2.059 -2.203 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 469 1.735 -3.472 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 469 2.559 -1.953 -7.526 1.00 0.00 H new ATOM 641 N ILE A 470 3.619 -4.949 -9.176 1.00 0.00 N ATOM 642 CA ILE A 470 4.962 -5.592 -9.198 1.00 0.00 C ATOM 643 C ILE A 470 5.553 -5.485 -10.604 1.00 0.00 C ATOM 644 O ILE A 470 4.846 -5.300 -11.574 1.00 0.00 O ATOM 645 CB ILE A 470 4.832 -7.068 -8.814 1.00 0.00 C ATOM 646 CG1 ILE A 470 3.992 -7.192 -7.544 1.00 0.00 C ATOM 647 CG2 ILE A 470 6.220 -7.660 -8.561 1.00 0.00 C ATOM 648 CD1 ILE A 470 4.638 -6.375 -6.424 1.00 0.00 C ATOM 0 H ILE A 470 2.837 -5.583 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 470 5.616 -5.088 -8.486 1.00 0.00 H new ATOM 0 HB ILE A 470 4.349 -7.609 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 470 2.978 -6.837 -7.730 1.00 0.00 H new ATOM 0 HG13 ILE A 470 3.914 -8.238 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 470 6.123 -8.711 -8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 470 6.823 -7.574 -9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 470 6.705 -7.117 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 470 4.039 -6.463 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 470 5.643 -6.751 -6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 470 4.693 -5.328 -6.722 1.00 0.00 H new ATOM 660 N GLU A 471 6.844 -5.604 -10.721 1.00 0.00 N ATOM 661 CA GLU A 471 7.482 -5.512 -12.064 1.00 0.00 C ATOM 662 C GLU A 471 7.743 -6.921 -12.600 1.00 0.00 C ATOM 663 O GLU A 471 8.135 -7.811 -11.871 1.00 0.00 O ATOM 664 CB GLU A 471 8.805 -4.752 -11.952 1.00 0.00 C ATOM 665 CG GLU A 471 9.367 -4.504 -13.352 1.00 0.00 C ATOM 666 CD GLU A 471 10.723 -3.805 -13.242 1.00 0.00 C ATOM 667 OE1 GLU A 471 11.163 -3.584 -12.126 1.00 0.00 O ATOM 668 OE2 GLU A 471 11.297 -3.502 -14.274 1.00 0.00 O ATOM 0 H GLU A 471 7.487 -5.761 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 471 6.818 -4.981 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 471 8.650 -3.804 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 471 9.517 -5.325 -11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 471 9.475 -5.449 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 471 8.676 -3.890 -13.929 1.00 0.00 H new ATOM 675 N GLY A 472 7.529 -7.132 -13.870 1.00 0.00 N ATOM 676 CA GLY A 472 7.764 -8.484 -14.449 1.00 0.00 C ATOM 677 C GLY A 472 6.489 -9.322 -14.326 1.00 0.00 C ATOM 678 O GLY A 472 6.481 -10.503 -14.613 1.00 0.00 O ATOM 0 H GLY A 472 7.202 -6.427 -14.531 1.00 0.00 H new ATOM 0 HA2 GLY A 472 8.055 -8.397 -15.496 1.00 0.00 H new ATOM 0 HA3 GLY A 472 8.586 -8.976 -13.929 1.00 0.00 H new ATOM 682 N LEU A 473 5.411 -8.721 -13.900 1.00 0.00 N ATOM 683 CA LEU A 473 4.139 -9.486 -13.761 1.00 0.00 C ATOM 684 C LEU A 473 3.153 -9.035 -14.841 1.00 0.00 C ATOM 685 O LEU A 473 2.986 -7.858 -15.093 1.00 0.00 O ATOM 686 CB LEU A 473 3.538 -9.230 -12.377 1.00 0.00 C ATOM 687 CG LEU A 473 3.989 -10.331 -11.415 1.00 0.00 C ATOM 688 CD1 LEU A 473 3.695 -9.905 -9.975 1.00 0.00 C ATOM 689 CD2 LEU A 473 3.236 -11.625 -11.731 1.00 0.00 C ATOM 0 H LEU A 473 5.356 -7.735 -13.643 1.00 0.00 H new ATOM 0 HA LEU A 473 4.340 -10.551 -13.876 1.00 0.00 H new ATOM 0 HB2 LEU A 473 3.855 -8.255 -12.006 1.00 0.00 H new ATOM 0 HB3 LEU A 473 2.450 -9.209 -12.439 1.00 0.00 H new ATOM 0 HG LEU A 473 5.060 -10.498 -11.531 1.00 0.00 H new ATOM 0 HD11 LEU A 473 4.017 -10.690 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 473 4.234 -8.985 -9.751 1.00 0.00 H new ATOM 0 HD13 LEU A 473 2.625 -9.737 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU A 473 3.557 -12.409 -11.046 1.00 0.00 H new ATOM 0 HD22 LEU A 473 2.165 -11.460 -11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 473 3.449 -11.929 -12.756 1.00 0.00 H new ATOM 701 N THR A 474 2.500 -9.964 -15.485 1.00 0.00 N ATOM 702 CA THR A 474 1.529 -9.590 -16.552 1.00 0.00 C ATOM 703 C THR A 474 0.107 -9.923 -16.096 1.00 0.00 C ATOM 704 O THR A 474 -0.098 -10.561 -15.082 1.00 0.00 O ATOM 705 CB THR A 474 1.852 -10.375 -17.825 1.00 0.00 C ATOM 706 OG1 THR A 474 2.864 -11.332 -17.544 1.00 0.00 O ATOM 707 CG2 THR A 474 2.343 -9.416 -18.909 1.00 0.00 C ATOM 0 H THR A 474 2.597 -10.966 -15.318 1.00 0.00 H new ATOM 0 HA THR A 474 1.602 -8.521 -16.750 1.00 0.00 H new ATOM 0 HB THR A 474 0.954 -10.885 -18.175 1.00 0.00 H new ATOM 0 HG1 THR A 474 3.071 -11.837 -18.358 1.00 0.00 H new ATOM 0 HG21 THR A 474 2.572 -9.977 -19.815 1.00 0.00 H new ATOM 0 HG22 THR A 474 1.567 -8.682 -19.124 1.00 0.00 H new ATOM 0 HG23 THR A 474 3.241 -8.904 -18.562 1.00 0.00 H new ATOM 715 N ASP A 475 -0.878 -9.496 -16.841 1.00 0.00 N ATOM 716 CA ASP A 475 -2.287 -9.786 -16.456 1.00 0.00 C ATOM 717 C ASP A 475 -2.514 -11.299 -16.444 1.00 0.00 C ATOM 718 O ASP A 475 -3.167 -11.833 -15.570 1.00 0.00 O ATOM 719 CB ASP A 475 -3.232 -9.136 -17.469 1.00 0.00 C ATOM 720 CG ASP A 475 -3.174 -7.616 -17.315 1.00 0.00 C ATOM 721 OD1 ASP A 475 -2.582 -7.161 -16.349 1.00 0.00 O ATOM 722 OD2 ASP A 475 -3.721 -6.932 -18.163 1.00 0.00 O ATOM 0 H ASP A 475 -0.766 -8.958 -17.700 1.00 0.00 H new ATOM 0 HA ASP A 475 -2.483 -9.384 -15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 475 -2.949 -9.421 -18.482 1.00 0.00 H new ATOM 0 HB3 ASP A 475 -4.251 -9.490 -17.312 1.00 0.00 H new ATOM 727 N GLU A 476 -1.974 -11.995 -17.406 1.00 0.00 N ATOM 728 CA GLU A 476 -2.153 -13.473 -17.450 1.00 0.00 C ATOM 729 C GLU A 476 -1.278 -14.117 -16.373 1.00 0.00 C ATOM 730 O GLU A 476 -1.725 -14.953 -15.610 1.00 0.00 O ATOM 731 CB GLU A 476 -1.741 -13.998 -18.826 1.00 0.00 C ATOM 732 CG GLU A 476 -2.687 -13.436 -19.891 1.00 0.00 C ATOM 733 CD GLU A 476 -2.318 -14.012 -21.260 1.00 0.00 C ATOM 734 OE1 GLU A 476 -1.279 -14.644 -21.354 1.00 0.00 O ATOM 735 OE2 GLU A 476 -3.080 -13.811 -22.191 1.00 0.00 O ATOM 0 H GLU A 476 -1.416 -11.603 -18.164 1.00 0.00 H new ATOM 0 HA GLU A 476 -3.199 -13.721 -17.269 1.00 0.00 H new ATOM 0 HB2 GLU A 476 -0.714 -13.706 -19.046 1.00 0.00 H new ATOM 0 HB3 GLU A 476 -1.772 -15.088 -18.835 1.00 0.00 H new ATOM 0 HG2 GLU A 476 -3.719 -13.688 -19.645 1.00 0.00 H new ATOM 0 HG3 GLU A 476 -2.621 -12.348 -19.913 1.00 0.00 H new ATOM 742 N LYS A 477 -0.033 -13.728 -16.299 1.00 0.00 N ATOM 743 CA LYS A 477 0.869 -14.312 -15.269 1.00 0.00 C ATOM 744 C LYS A 477 0.289 -14.036 -13.883 1.00 0.00 C ATOM 745 O LYS A 477 0.316 -14.878 -13.008 1.00 0.00 O ATOM 746 CB LYS A 477 2.254 -13.671 -15.380 1.00 0.00 C ATOM 747 CG LYS A 477 3.235 -14.410 -14.470 1.00 0.00 C ATOM 748 CD LYS A 477 4.591 -13.702 -14.501 1.00 0.00 C ATOM 749 CE LYS A 477 5.619 -14.534 -13.733 1.00 0.00 C ATOM 750 NZ LYS A 477 6.772 -13.668 -13.354 1.00 0.00 N ATOM 0 H LYS A 477 0.396 -13.031 -16.908 1.00 0.00 H new ATOM 0 HA LYS A 477 0.956 -15.387 -15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 477 2.601 -13.708 -16.412 1.00 0.00 H new ATOM 0 HB3 LYS A 477 2.203 -12.619 -15.099 1.00 0.00 H new ATOM 0 HG2 LYS A 477 2.851 -14.439 -13.450 1.00 0.00 H new ATOM 0 HG3 LYS A 477 3.345 -15.444 -14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.917 -13.563 -15.532 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.505 -12.710 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.163 -14.963 -12.841 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.962 -15.367 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 7.473 -14.232 -12.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 7.211 -13.279 -14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 6.437 -12.888 -12.753 1.00 0.00 H new ATOM 764 N ALA A 478 -0.243 -12.864 -13.682 1.00 0.00 N ATOM 765 CA ALA A 478 -0.836 -12.536 -12.356 1.00 0.00 C ATOM 766 C ALA A 478 -1.855 -13.614 -11.988 1.00 0.00 C ATOM 767 O ALA A 478 -1.938 -14.048 -10.856 1.00 0.00 O ATOM 768 CB ALA A 478 -1.531 -11.174 -12.429 1.00 0.00 C ATOM 0 H ALA A 478 -0.293 -12.119 -14.377 1.00 0.00 H new ATOM 0 HA ALA A 478 -0.052 -12.497 -11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 478 -1.965 -10.934 -11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 478 -0.804 -10.409 -12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 478 -2.320 -11.208 -13.181 1.00 0.00 H new ATOM 774 N GLY A 479 -2.625 -14.058 -12.942 1.00 0.00 N ATOM 775 CA GLY A 479 -3.631 -15.117 -12.654 1.00 0.00 C ATOM 776 C GLY A 479 -2.897 -16.420 -12.344 1.00 0.00 C ATOM 777 O GLY A 479 -2.818 -16.844 -11.210 1.00 0.00 O ATOM 0 H GLY A 479 -2.601 -13.733 -13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 479 -4.255 -14.825 -11.810 1.00 0.00 H new ATOM 0 HA3 GLY A 479 -4.294 -15.251 -13.509 1.00 0.00 H new ATOM 781 N ALA A 480 -2.364 -17.057 -13.347 1.00 0.00 N ATOM 782 CA ALA A 480 -1.632 -18.337 -13.122 1.00 0.00 C ATOM 783 C ALA A 480 -0.796 -18.242 -11.842 1.00 0.00 C ATOM 784 O ALA A 480 -0.823 -19.121 -11.005 1.00 0.00 O ATOM 785 CB ALA A 480 -0.707 -18.607 -14.311 1.00 0.00 C ATOM 0 H ALA A 480 -2.403 -16.747 -14.318 1.00 0.00 H new ATOM 0 HA ALA A 480 -2.352 -19.149 -13.021 1.00 0.00 H new ATOM 0 HB1 ALA A 480 -0.170 -19.542 -14.150 1.00 0.00 H new ATOM 0 HB2 ALA A 480 -1.299 -18.681 -15.223 1.00 0.00 H new ATOM 0 HB3 ALA A 480 0.008 -17.790 -14.408 1.00 0.00 H new ATOM 791 N LEU A 481 -0.049 -17.181 -11.686 1.00 0.00 N ATOM 792 CA LEU A 481 0.792 -17.031 -10.462 1.00 0.00 C ATOM 793 C LEU A 481 -0.095 -17.064 -9.217 1.00 0.00 C ATOM 794 O LEU A 481 -0.049 -17.991 -8.432 1.00 0.00 O ATOM 795 CB LEU A 481 1.537 -15.695 -10.517 1.00 0.00 C ATOM 796 CG LEU A 481 2.866 -15.876 -11.255 1.00 0.00 C ATOM 797 CD1 LEU A 481 3.860 -16.600 -10.345 1.00 0.00 C ATOM 798 CD2 LEU A 481 2.641 -16.699 -12.526 1.00 0.00 C ATOM 0 H LEU A 481 0.015 -16.412 -12.353 1.00 0.00 H new ATOM 0 HA LEU A 481 1.509 -17.851 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 481 0.927 -14.948 -11.025 1.00 0.00 H new ATOM 0 HB3 LEU A 481 1.718 -15.326 -9.507 1.00 0.00 H new ATOM 0 HG LEU A 481 3.266 -14.899 -11.525 1.00 0.00 H new ATOM 0 HD11 LEU A 481 4.806 -16.729 -10.870 1.00 0.00 H new ATOM 0 HD12 LEU A 481 4.023 -16.011 -9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 481 3.460 -17.577 -10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 481 3.589 -16.826 -13.049 1.00 0.00 H new ATOM 0 HD22 LEU A 481 2.239 -17.677 -12.260 1.00 0.00 H new ATOM 0 HD23 LEU A 481 1.935 -16.181 -13.175 1.00 0.00 H new ATOM 810 N ILE A 482 -0.902 -16.057 -9.028 1.00 0.00 N ATOM 811 CA ILE A 482 -1.790 -16.024 -7.832 1.00 0.00 C ATOM 812 C ILE A 482 -2.716 -17.240 -7.851 1.00 0.00 C ATOM 813 O ILE A 482 -3.121 -17.742 -6.821 1.00 0.00 O ATOM 814 CB ILE A 482 -2.631 -14.748 -7.862 1.00 0.00 C ATOM 815 CG1 ILE A 482 -1.707 -13.529 -7.858 1.00 0.00 C ATOM 816 CG2 ILE A 482 -3.536 -14.707 -6.630 1.00 0.00 C ATOM 817 CD1 ILE A 482 -2.542 -12.258 -8.021 1.00 0.00 C ATOM 0 H ILE A 482 -0.985 -15.254 -9.651 1.00 0.00 H new ATOM 0 HA ILE A 482 -1.183 -16.043 -6.927 1.00 0.00 H new ATOM 0 HB ILE A 482 -3.244 -14.736 -8.764 1.00 0.00 H new ATOM 0 HG12 ILE A 482 -1.143 -13.490 -6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 482 -0.981 -13.607 -8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 482 -4.137 -13.798 -6.650 1.00 0.00 H new ATOM 0 HG22 ILE A 482 -4.194 -15.576 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 482 -2.924 -14.718 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 482 -1.885 -11.388 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 482 -3.086 -12.299 -8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 482 -3.251 -12.180 -7.196 1.00 0.00 H new ATOM 829 N MET A 483 -3.052 -17.714 -9.015 1.00 0.00 N ATOM 830 CA MET A 483 -3.953 -18.895 -9.110 1.00 0.00 C ATOM 831 C MET A 483 -3.232 -20.129 -8.568 1.00 0.00 C ATOM 832 O MET A 483 -3.842 -21.020 -8.011 1.00 0.00 O ATOM 833 CB MET A 483 -4.334 -19.128 -10.574 1.00 0.00 C ATOM 834 CG MET A 483 -5.358 -18.077 -11.009 1.00 0.00 C ATOM 835 SD MET A 483 -5.835 -18.376 -12.728 1.00 0.00 S ATOM 836 CE MET A 483 -7.093 -19.634 -12.397 1.00 0.00 C ATOM 0 H MET A 483 -2.741 -17.334 -9.909 1.00 0.00 H new ATOM 0 HA MET A 483 -4.854 -18.714 -8.524 1.00 0.00 H new ATOM 0 HB2 MET A 483 -3.447 -19.070 -11.205 1.00 0.00 H new ATOM 0 HB3 MET A 483 -4.749 -20.128 -10.698 1.00 0.00 H new ATOM 0 HG2 MET A 483 -6.236 -18.120 -10.364 1.00 0.00 H new ATOM 0 HG3 MET A 483 -4.935 -17.078 -10.906 1.00 0.00 H new ATOM 0 HE1 MET A 483 -6.981 -20.456 -13.104 1.00 0.00 H new ATOM 0 HE2 MET A 483 -6.972 -20.011 -11.381 1.00 0.00 H new ATOM 0 HE3 MET A 483 -8.085 -19.194 -12.506 1.00 0.00 H new ATOM 846 N ALA A 484 -1.939 -20.188 -8.721 1.00 0.00 N ATOM 847 CA ALA A 484 -1.182 -21.363 -8.208 1.00 0.00 C ATOM 848 C ALA A 484 -1.212 -21.352 -6.683 1.00 0.00 C ATOM 849 O ALA A 484 -1.331 -22.378 -6.044 1.00 0.00 O ATOM 850 CB ALA A 484 0.266 -21.289 -8.694 1.00 0.00 C ATOM 0 H ALA A 484 -1.374 -19.473 -9.179 1.00 0.00 H new ATOM 0 HA ALA A 484 -1.638 -22.282 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 484 0.820 -22.149 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 484 0.285 -21.293 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 484 0.727 -20.372 -8.327 1.00 0.00 H new ATOM 856 N ALA A 485 -1.111 -20.194 -6.092 1.00 0.00 N ATOM 857 CA ALA A 485 -1.142 -20.111 -4.606 1.00 0.00 C ATOM 858 C ALA A 485 -2.574 -20.340 -4.128 1.00 0.00 C ATOM 859 O ALA A 485 -2.813 -21.007 -3.141 1.00 0.00 O ATOM 860 CB ALA A 485 -0.665 -18.728 -4.159 1.00 0.00 C ATOM 0 H ALA A 485 -1.008 -19.301 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 485 -0.485 -20.869 -4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 485 -0.688 -18.669 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 485 0.354 -18.564 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 485 -1.320 -17.964 -4.578 1.00 0.00 H new ATOM 866 N ARG A 486 -3.529 -19.798 -4.830 1.00 0.00 N ATOM 867 CA ARG A 486 -4.949 -19.989 -4.431 1.00 0.00 C ATOM 868 C ARG A 486 -5.336 -21.452 -4.652 1.00 0.00 C ATOM 869 O ARG A 486 -5.970 -22.070 -3.821 1.00 0.00 O ATOM 870 CB ARG A 486 -5.842 -19.092 -5.291 1.00 0.00 C ATOM 871 CG ARG A 486 -5.580 -17.627 -4.941 1.00 0.00 C ATOM 872 CD ARG A 486 -6.518 -16.730 -5.753 1.00 0.00 C ATOM 873 NE ARG A 486 -6.138 -15.304 -5.550 1.00 0.00 N ATOM 874 CZ ARG A 486 -6.892 -14.352 -6.029 1.00 0.00 C ATOM 875 NH1 ARG A 486 -7.533 -13.556 -5.217 1.00 0.00 N ATOM 876 NH2 ARG A 486 -7.001 -14.193 -7.319 1.00 0.00 N ATOM 0 H ARG A 486 -3.386 -19.230 -5.665 1.00 0.00 H new ATOM 0 HA ARG A 486 -5.076 -19.728 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 486 -5.641 -19.266 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 486 -6.891 -19.336 -5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 486 -5.737 -17.464 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 486 -4.542 -17.372 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 486 -6.459 -16.986 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 486 -7.551 -16.890 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 486 -5.288 -15.071 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 486 -7.445 -13.678 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 486 -8.122 -12.812 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 486 -6.497 -14.813 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 486 -7.590 -13.449 -7.693 1.00 0.00 H new ATOM 890 N ASN A 487 -4.953 -22.008 -5.769 1.00 0.00 N ATOM 891 CA ASN A 487 -5.292 -23.430 -6.052 1.00 0.00 C ATOM 892 C ASN A 487 -4.681 -24.327 -4.975 1.00 0.00 C ATOM 893 O ASN A 487 -5.261 -25.318 -4.576 1.00 0.00 O ATOM 894 CB ASN A 487 -4.728 -23.827 -7.419 1.00 0.00 C ATOM 895 CG ASN A 487 -5.434 -23.027 -8.515 1.00 0.00 C ATOM 896 OD1 ASN A 487 -6.615 -22.757 -8.422 1.00 0.00 O ATOM 897 ND2 ASN A 487 -4.755 -22.633 -9.558 1.00 0.00 N ATOM 0 H ASN A 487 -4.419 -21.537 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 487 -6.376 -23.549 -6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 487 -3.655 -23.638 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 487 -4.869 -24.895 -7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 487 -5.216 -22.099 -10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 487 -3.764 -22.859 -9.636 1.00 0.00 H new ATOM 904 N ILE A 488 -3.512 -23.992 -4.507 1.00 0.00 N ATOM 905 CA ILE A 488 -2.861 -24.832 -3.461 1.00 0.00 C ATOM 906 C ILE A 488 -3.393 -24.443 -2.081 1.00 0.00 C ATOM 907 O ILE A 488 -3.637 -25.285 -1.239 1.00 0.00 O ATOM 908 CB ILE A 488 -1.347 -24.617 -3.507 1.00 0.00 C ATOM 909 CG1 ILE A 488 -0.819 -25.019 -4.886 1.00 0.00 C ATOM 910 CG2 ILE A 488 -0.677 -25.476 -2.433 1.00 0.00 C ATOM 911 CD1 ILE A 488 0.687 -24.758 -4.953 1.00 0.00 C ATOM 0 H ILE A 488 -2.979 -23.174 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 488 -3.086 -25.882 -3.648 1.00 0.00 H new ATOM 0 HB ILE A 488 -1.122 -23.566 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 488 -1.025 -26.073 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 488 -1.332 -24.452 -5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 488 0.402 -25.323 -2.465 1.00 0.00 H new ATOM 0 HG22 ILE A 488 -1.055 -25.191 -1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 488 -0.900 -26.527 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 488 1.063 -25.044 -5.935 1.00 0.00 H new ATOM 0 HD12 ILE A 488 0.880 -23.698 -4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 488 1.192 -25.345 -4.186 1.00 0.00 H new ATOM 923 N CYS A 489 -3.572 -23.176 -1.843 1.00 0.00 N ATOM 924 CA CYS A 489 -4.087 -22.732 -0.516 1.00 0.00 C ATOM 925 C CYS A 489 -5.587 -23.015 -0.431 1.00 0.00 C ATOM 926 O CYS A 489 -6.128 -23.235 0.634 1.00 0.00 O ATOM 927 CB CYS A 489 -3.845 -21.230 -0.354 1.00 0.00 C ATOM 928 SG CYS A 489 -2.259 -20.958 0.474 1.00 0.00 S ATOM 0 H CYS A 489 -3.385 -22.426 -2.509 1.00 0.00 H new ATOM 0 HA CYS A 489 -3.568 -23.274 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 489 -3.846 -20.744 -1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 489 -4.652 -20.782 0.226 1.00 0.00 H new ATOM 0 HG CYS A 489 -2.442 -20.917 1.760 1.00 0.00 H new ATOM 934 N TRP A 490 -6.261 -23.008 -1.547 1.00 0.00 N ATOM 935 CA TRP A 490 -7.727 -23.272 -1.534 1.00 0.00 C ATOM 936 C TRP A 490 -7.994 -24.710 -1.977 1.00 0.00 C ATOM 937 O TRP A 490 -8.167 -25.600 -1.167 1.00 0.00 O ATOM 938 CB TRP A 490 -8.422 -22.311 -2.501 1.00 0.00 C ATOM 939 CG TRP A 490 -8.218 -20.902 -2.044 1.00 0.00 C ATOM 940 CD1 TRP A 490 -7.548 -20.535 -0.928 1.00 0.00 C ATOM 941 CD2 TRP A 490 -8.673 -19.669 -2.673 1.00 0.00 C ATOM 942 NE1 TRP A 490 -7.564 -19.154 -0.832 1.00 0.00 N ATOM 943 CE2 TRP A 490 -8.246 -18.576 -1.885 1.00 0.00 C ATOM 944 CE3 TRP A 490 -9.410 -19.397 -3.840 1.00 0.00 C ATOM 945 CZ2 TRP A 490 -8.537 -17.258 -2.241 1.00 0.00 C ATOM 946 CZ3 TRP A 490 -9.704 -18.074 -4.203 1.00 0.00 C ATOM 947 CH2 TRP A 490 -9.269 -17.006 -3.405 1.00 0.00 C ATOM 0 H TRP A 490 -5.860 -22.831 -2.468 1.00 0.00 H new ATOM 0 HA TRP A 490 -8.112 -23.125 -0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 490 -8.022 -22.439 -3.507 1.00 0.00 H new ATOM 0 HB3 TRP A 490 -9.487 -22.537 -2.551 1.00 0.00 H new ATOM 0 HD1 TRP A 490 -7.078 -21.209 -0.227 1.00 0.00 H new ATOM 0 HE1 TRP A 490 -7.126 -18.628 -0.076 1.00 0.00 H new ATOM 0 HE3 TRP A 490 -9.752 -20.212 -4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 490 -8.199 -16.440 -1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 490 -10.269 -17.877 -5.102 1.00 0.00 H new ATOM 0 HH2 TRP A 490 -9.499 -15.990 -3.689 1.00 0.00 H new