USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 394 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 Set 1.1: A 425 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.022) USER MOD Set 1.2: A 439 LYS NZ :NH3+ -144:sc= 0 (180deg=0) USER MOD Single : A 421 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.8!) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 SER OG : rot 180:sc= -0.938 USER MOD Single : A 446 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= 0 USER MOD Single : A 451 MET CE :methyl -139:sc= -0.949 (180deg=-4.2!) USER MOD Single : A 453 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00755) USER MOD Single : A 454 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-2.5!) USER MOD Single : A 458 LYS NZ :NH3+ -165:sc= 0.0502 (180deg=-0.00383) USER MOD Single : A 460 MET CE :methyl 153:sc= -0.0651 (180deg=-1.53) USER MOD Single : A 466 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.109 1.842 5.693 1.00 0.00 N ATOM 67 CA PHE A 420 -9.492 0.544 5.445 1.00 0.00 C ATOM 68 C PHE A 420 -8.588 0.141 6.607 1.00 0.00 C ATOM 69 O PHE A 420 -8.184 0.980 7.411 1.00 0.00 O ATOM 70 CB PHE A 420 -8.686 0.579 4.145 1.00 0.00 C ATOM 71 CG PHE A 420 -9.500 0.969 2.945 1.00 0.00 C ATOM 72 CD1 PHE A 420 -9.809 2.298 2.703 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.957 0.007 2.059 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.559 2.659 1.600 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.707 0.362 0.953 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.007 1.690 0.723 1.00 0.00 C ATOM 0 HA PHE A 420 -10.286 -0.197 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.860 1.282 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -8.247 -0.404 3.972 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -9.460 3.060 3.384 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.725 -1.033 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -10.795 3.698 1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -11.057 -0.398 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.591 1.971 -0.141 1.00 0.00 H new ATOM 86 N GLN A 421 -8.277 -1.148 6.687 1.00 0.00 N ATOM 87 CA GLN A 421 -7.423 -1.663 7.750 1.00 0.00 C ATOM 88 C GLN A 421 -6.183 -2.339 7.174 1.00 0.00 C ATOM 89 O GLN A 421 -6.232 -2.996 6.134 1.00 0.00 O ATOM 90 CB GLN A 421 -8.198 -2.652 8.623 1.00 0.00 C ATOM 91 CG GLN A 421 -9.199 -3.492 7.847 1.00 0.00 C ATOM 92 CD GLN A 421 -10.007 -4.412 8.742 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.951 -4.310 9.968 1.00 0.00 O ATOM 94 NE2 GLN A 421 -10.765 -5.315 8.132 1.00 0.00 N ATOM 0 H GLN A 421 -8.604 -1.855 6.028 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.103 -0.821 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -7.491 -3.314 9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -8.725 -2.101 9.402 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.876 -2.833 7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.669 -4.088 7.104 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -10.781 -5.364 7.113 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -11.332 -5.960 8.682 1.00 0.00 H new ATOM 103 N PRO A 422 -5.044 -2.174 7.863 1.00 0.00 N ATOM 104 CA PRO A 422 -3.770 -2.761 7.438 1.00 0.00 C ATOM 105 C PRO A 422 -3.753 -4.279 7.583 1.00 0.00 C ATOM 106 O PRO A 422 -4.518 -4.846 8.363 1.00 0.00 O ATOM 107 CB PRO A 422 -2.752 -2.122 8.385 1.00 0.00 C ATOM 108 CG PRO A 422 -3.537 -1.762 9.599 1.00 0.00 C ATOM 109 CD PRO A 422 -4.913 -1.403 9.110 1.00 0.00 C ATOM 0 HA PRO A 422 -3.567 -2.575 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.946 -2.815 8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.292 -1.242 7.936 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.577 -2.596 10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.079 -0.925 10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.681 -1.676 9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.009 -0.332 8.932 1.00 0.00 H new ATOM 117 N GLY A 423 -2.876 -4.932 6.828 1.00 0.00 N ATOM 118 CA GLY A 423 -2.776 -6.378 6.888 1.00 0.00 C ATOM 119 C GLY A 423 -3.296 -7.048 5.631 1.00 0.00 C ATOM 120 O GLY A 423 -2.905 -8.171 5.311 1.00 0.00 O ATOM 0 H GLY A 423 -2.232 -4.485 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.735 -6.661 7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.337 -6.742 7.749 1.00 0.00 H new ATOM 124 N ASP A 424 -4.181 -6.360 4.919 1.00 0.00 N ATOM 125 CA ASP A 424 -4.756 -6.895 3.690 1.00 0.00 C ATOM 126 C ASP A 424 -3.760 -6.800 2.538 1.00 0.00 C ATOM 127 O ASP A 424 -2.647 -6.304 2.706 1.00 0.00 O ATOM 128 CB ASP A 424 -6.040 -6.145 3.334 1.00 0.00 C ATOM 129 CG ASP A 424 -7.201 -6.526 4.232 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.672 -7.679 4.137 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.637 -5.671 5.031 1.00 0.00 O ATOM 0 H ASP A 424 -4.516 -5.430 5.171 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.993 -7.946 3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.863 -5.072 3.409 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.303 -6.353 2.297 1.00 0.00 H new ATOM 136 N ASN A 425 -4.169 -7.281 1.368 1.00 0.00 N ATOM 137 CA ASN A 425 -3.313 -7.252 0.188 1.00 0.00 C ATOM 138 C ASN A 425 -3.837 -6.255 -0.840 1.00 0.00 C ATOM 139 O ASN A 425 -5.019 -6.268 -1.187 1.00 0.00 O ATOM 140 CB ASN A 425 -3.222 -8.646 -0.436 1.00 0.00 C ATOM 141 CG ASN A 425 -2.138 -9.495 0.200 1.00 0.00 C ATOM 142 OD1 ASN A 425 -2.292 -9.982 1.319 1.00 0.00 O ATOM 143 ND2 ASN A 425 -1.032 -9.674 -0.514 1.00 0.00 N ATOM 0 H ASN A 425 -5.088 -7.695 1.212 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.318 -6.935 0.500 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -4.183 -9.151 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.025 -8.551 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -0.267 -10.235 -0.138 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -0.948 -9.251 -1.438 1.00 0.00 H new ATOM 150 N VAL A 426 -2.951 -5.392 -1.326 1.00 0.00 N ATOM 151 CA VAL A 426 -3.323 -4.389 -2.316 1.00 0.00 C ATOM 152 C VAL A 426 -2.212 -4.188 -3.340 1.00 0.00 C ATOM 153 O VAL A 426 -1.093 -4.668 -3.158 1.00 0.00 O ATOM 154 CB VAL A 426 -3.644 -3.037 -1.652 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.928 -3.131 -0.842 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.485 -2.584 -0.778 1.00 0.00 C ATOM 0 H VAL A 426 -1.969 -5.367 -1.050 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.215 -4.759 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.791 -2.293 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.138 -2.166 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.753 -3.407 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.814 -3.888 -0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.729 -1.627 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.304 -3.326 -0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.589 -2.474 -1.390 1.00 0.00 H new ATOM 166 N GLU A 427 -2.528 -3.476 -4.417 1.00 0.00 N ATOM 167 CA GLU A 427 -1.555 -3.212 -5.470 1.00 0.00 C ATOM 168 C GLU A 427 -1.807 -1.853 -6.116 1.00 0.00 C ATOM 169 O GLU A 427 -2.917 -1.324 -6.063 1.00 0.00 O ATOM 170 CB GLU A 427 -1.610 -4.312 -6.533 1.00 0.00 C ATOM 171 CG GLU A 427 -0.565 -4.156 -7.625 1.00 0.00 C ATOM 172 CD GLU A 427 -0.745 -5.155 -8.752 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.840 -5.180 -9.353 1.00 0.00 O ATOM 174 OE2 GLU A 427 0.209 -5.910 -9.032 1.00 0.00 O ATOM 0 H GLU A 427 -3.450 -3.072 -4.583 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.563 -3.202 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.476 -5.280 -6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.601 -4.317 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.615 -3.145 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.428 -4.277 -7.192 1.00 0.00 H new ATOM 181 N VAL A 428 -0.767 -1.291 -6.725 1.00 0.00 N ATOM 182 CA VAL A 428 -0.874 0.006 -7.381 1.00 0.00 C ATOM 183 C VAL A 428 -1.647 -0.103 -8.691 1.00 0.00 C ATOM 184 O VAL A 428 -1.458 -1.047 -9.458 1.00 0.00 O ATOM 185 CB VAL A 428 0.515 0.608 -7.666 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.381 1.992 -8.281 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.345 0.659 -6.392 1.00 0.00 C ATOM 0 H VAL A 428 0.159 -1.715 -6.777 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.413 0.663 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 428 1.030 -0.033 -8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.372 2.401 -8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.173 1.922 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.153 2.646 -7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.323 1.087 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.837 1.276 -5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.470 -0.350 -5.999 1.00 0.00 H new ATOM 197 N CYS A 429 -2.518 0.869 -8.940 1.00 0.00 N ATOM 198 CA CYS A 429 -3.321 0.883 -10.157 1.00 0.00 C ATOM 199 C CYS A 429 -2.727 1.836 -11.190 1.00 0.00 C ATOM 200 O CYS A 429 -2.658 1.516 -12.376 1.00 0.00 O ATOM 201 CB CYS A 429 -4.760 1.289 -9.839 1.00 0.00 C ATOM 202 SG CYS A 429 -5.824 1.438 -11.294 1.00 0.00 S ATOM 0 H CYS A 429 -2.686 1.657 -8.315 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.319 -0.124 -10.575 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.192 0.554 -9.160 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.749 2.243 -9.311 1.00 0.00 H new ATOM 0 HG CYS A 429 -7.021 1.783 -10.923 1.00 0.00 H new ATOM 208 N GLU A 430 -2.301 3.008 -10.729 1.00 0.00 N ATOM 209 CA GLU A 430 -1.716 4.009 -11.614 1.00 0.00 C ATOM 210 C GLU A 430 -0.426 4.569 -11.023 1.00 0.00 C ATOM 211 O GLU A 430 -0.168 4.436 -9.827 1.00 0.00 O ATOM 212 CB GLU A 430 -2.711 5.144 -11.865 1.00 0.00 C ATOM 213 CG GLU A 430 -2.318 6.053 -13.017 1.00 0.00 C ATOM 214 CD GLU A 430 -2.240 5.317 -14.341 1.00 0.00 C ATOM 215 OE1 GLU A 430 -1.298 4.516 -14.518 1.00 0.00 O ATOM 216 OE2 GLU A 430 -3.119 5.541 -15.198 1.00 0.00 O ATOM 0 H GLU A 430 -2.350 3.287 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.481 3.526 -12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.693 4.717 -12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.805 5.741 -10.958 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -3.042 6.864 -13.098 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.352 6.509 -12.802 1.00 0.00 H new ATOM 223 N GLY A 431 0.383 5.198 -11.871 1.00 0.00 N ATOM 224 CA GLY A 431 1.637 5.769 -11.415 1.00 0.00 C ATOM 225 C GLY A 431 2.838 4.958 -11.859 1.00 0.00 C ATOM 226 O GLY A 431 2.690 3.858 -12.390 1.00 0.00 O ATOM 0 H GLY A 431 0.192 5.322 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 431 1.729 6.787 -11.795 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.629 5.834 -10.327 1.00 0.00 H new ATOM 230 N GLU A 432 4.031 5.504 -11.643 1.00 0.00 N ATOM 231 CA GLU A 432 5.262 4.824 -12.028 1.00 0.00 C ATOM 232 C GLU A 432 5.451 3.543 -11.221 1.00 0.00 C ATOM 233 O GLU A 432 6.109 2.604 -11.670 1.00 0.00 O ATOM 234 CB GLU A 432 6.465 5.749 -11.827 1.00 0.00 C ATOM 235 CG GLU A 432 7.804 5.045 -11.974 1.00 0.00 C ATOM 236 CD GLU A 432 8.211 4.862 -13.423 1.00 0.00 C ATOM 237 OE1 GLU A 432 8.293 5.874 -14.150 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.448 3.705 -13.831 1.00 0.00 O ATOM 0 H GLU A 432 4.171 6.414 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 432 5.187 4.560 -13.083 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.411 6.564 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 432 6.406 6.197 -10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.571 5.619 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.753 4.070 -11.489 1.00 0.00 H new ATOM 245 N LEU A 433 4.871 3.513 -10.026 1.00 0.00 N ATOM 246 CA LEU A 433 4.974 2.347 -9.155 1.00 0.00 C ATOM 247 C LEU A 433 3.811 1.389 -9.386 1.00 0.00 C ATOM 248 O LEU A 433 3.374 0.694 -8.467 1.00 0.00 O ATOM 249 CB LEU A 433 5.008 2.784 -7.689 1.00 0.00 C ATOM 250 CG LEU A 433 6.325 3.384 -7.197 1.00 0.00 C ATOM 251 CD1 LEU A 433 6.104 4.187 -5.924 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.357 2.290 -6.967 1.00 0.00 C ATOM 0 H LEU A 433 4.325 4.282 -9.638 1.00 0.00 H new ATOM 0 HA LEU A 433 5.901 1.826 -9.394 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.217 3.517 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.771 1.920 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 433 6.704 4.058 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 433 7.053 4.606 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 433 5.400 4.995 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.701 3.536 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.288 2.736 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.985 1.591 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.538 1.758 -7.901 1.00 0.00 H new ATOM 264 N ILE A 434 3.314 1.356 -10.618 1.00 0.00 N ATOM 265 CA ILE A 434 2.203 0.480 -10.969 1.00 0.00 C ATOM 266 C ILE A 434 2.632 -0.983 -10.959 1.00 0.00 C ATOM 267 O ILE A 434 3.820 -1.293 -11.037 1.00 0.00 O ATOM 268 CB ILE A 434 1.631 0.826 -12.357 1.00 0.00 C ATOM 269 CG1 ILE A 434 0.449 -0.088 -12.688 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.713 0.708 -13.420 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.279 0.302 -13.955 1.00 0.00 C ATOM 0 H ILE A 434 3.663 1.925 -11.389 1.00 0.00 H new ATOM 0 HA ILE A 434 1.429 0.634 -10.217 1.00 0.00 H new ATOM 0 HB ILE A 434 1.276 1.856 -12.341 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.808 -1.112 -12.786 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.254 -0.075 -11.855 1.00 0.00 H new ATOM 0 HG21 ILE A 434 2.294 0.955 -14.395 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.526 1.396 -13.189 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.096 -0.312 -13.438 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.104 -0.389 -14.128 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -0.669 1.315 -13.854 1.00 0.00 H new ATOM 0 HD13 ILE A 434 0.411 0.261 -14.798 1.00 0.00 H new ATOM 283 N ASN A 435 1.655 -1.880 -10.864 1.00 0.00 N ATOM 284 CA ASN A 435 1.932 -3.312 -10.845 1.00 0.00 C ATOM 285 C ASN A 435 2.769 -3.688 -9.626 1.00 0.00 C ATOM 286 O ASN A 435 3.514 -4.669 -9.650 1.00 0.00 O ATOM 287 CB ASN A 435 2.658 -3.729 -12.125 1.00 0.00 C ATOM 288 CG ASN A 435 1.924 -3.285 -13.376 1.00 0.00 C ATOM 289 OD1 ASN A 435 0.694 -3.262 -13.413 1.00 0.00 O ATOM 290 ND2 ASN A 435 2.679 -2.931 -14.410 1.00 0.00 N ATOM 0 H ASN A 435 0.666 -1.641 -10.799 1.00 0.00 H new ATOM 0 HA ASN A 435 0.980 -3.840 -10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.662 -3.304 -12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.771 -4.813 -12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.242 -2.625 -15.279 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.696 -2.966 -14.335 1.00 0.00 H new ATOM 297 N LEU A 436 2.643 -2.902 -8.563 1.00 0.00 N ATOM 298 CA LEU A 436 3.387 -3.153 -7.333 1.00 0.00 C ATOM 299 C LEU A 436 2.456 -3.613 -6.217 1.00 0.00 C ATOM 300 O LEU A 436 1.740 -2.808 -5.622 1.00 0.00 O ATOM 301 CB LEU A 436 4.136 -1.890 -6.901 1.00 0.00 C ATOM 302 CG LEU A 436 5.023 -2.027 -5.663 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.274 -2.827 -5.989 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.392 -0.655 -5.118 1.00 0.00 C ATOM 0 H LEU A 436 2.033 -2.085 -8.527 1.00 0.00 H new ATOM 0 HA LEU A 436 4.108 -3.947 -7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.756 -1.557 -7.733 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.405 -1.104 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 436 4.464 -2.563 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.893 -2.914 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.990 -3.822 -6.333 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.837 -2.319 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.023 -0.771 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.932 -0.094 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.485 -0.116 -4.846 1.00 0.00 H new ATOM 316 N GLN A 437 2.473 -4.912 -5.937 1.00 0.00 N ATOM 317 CA GLN A 437 1.630 -5.478 -4.890 1.00 0.00 C ATOM 318 C GLN A 437 2.384 -5.556 -3.567 1.00 0.00 C ATOM 319 O GLN A 437 3.611 -5.469 -3.534 1.00 0.00 O ATOM 320 CB GLN A 437 1.143 -6.871 -5.296 1.00 0.00 C ATOM 321 CG GLN A 437 2.262 -7.805 -5.728 1.00 0.00 C ATOM 322 CD GLN A 437 1.769 -9.206 -6.030 1.00 0.00 C ATOM 323 OE1 GLN A 437 1.570 -9.569 -7.190 1.00 0.00 O ATOM 324 NE2 GLN A 437 1.568 -10.001 -4.986 1.00 0.00 N ATOM 0 H GLN A 437 3.060 -5.592 -6.420 1.00 0.00 H new ATOM 0 HA GLN A 437 0.769 -4.823 -4.758 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.610 -7.319 -4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.427 -6.773 -6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.749 -7.397 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.016 -7.851 -4.942 1.00 0.00 H new ATOM 0 HE21 GLN A 437 1.746 -9.658 -4.042 1.00 0.00 H new ATOM 0 HE22 GLN A 437 1.236 -10.955 -5.128 1.00 0.00 H new ATOM 333 N GLY A 438 1.641 -5.720 -2.476 1.00 0.00 N ATOM 334 CA GLY A 438 2.257 -5.806 -1.165 1.00 0.00 C ATOM 335 C GLY A 438 1.236 -5.840 -0.046 1.00 0.00 C ATOM 336 O GLY A 438 0.031 -5.780 -0.292 1.00 0.00 O ATOM 0 H GLY A 438 0.624 -5.795 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.875 -6.702 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.920 -4.953 -1.022 1.00 0.00 H new ATOM 340 N LYS A 439 1.716 -5.937 1.189 1.00 0.00 N ATOM 341 CA LYS A 439 0.838 -5.979 2.352 1.00 0.00 C ATOM 342 C LYS A 439 0.747 -4.608 3.015 1.00 0.00 C ATOM 343 O LYS A 439 1.716 -3.849 3.027 1.00 0.00 O ATOM 344 CB LYS A 439 1.342 -7.013 3.361 1.00 0.00 C ATOM 345 CG LYS A 439 0.762 -8.401 3.151 1.00 0.00 C ATOM 346 CD LYS A 439 1.386 -9.090 1.949 1.00 0.00 C ATOM 347 CE LYS A 439 1.412 -10.600 2.123 1.00 0.00 C ATOM 348 NZ LYS A 439 1.856 -11.295 0.883 1.00 0.00 N ATOM 0 H LYS A 439 2.710 -5.988 1.410 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.158 -6.266 2.014 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.429 -7.069 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.098 -6.675 4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 439 0.927 -9.004 4.044 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.316 -8.328 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 439 0.824 -8.836 1.050 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.402 -8.722 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 439 2.081 -10.859 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 439 0.418 -10.951 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 1.332 -12.187 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 1.672 -10.687 0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 2.874 -11.497 0.944 1.00 0.00 H new ATOM 362 N ILE A 440 -0.422 -4.299 3.566 1.00 0.00 N ATOM 363 CA ILE A 440 -0.637 -3.021 4.233 1.00 0.00 C ATOM 364 C ILE A 440 -0.220 -3.088 5.698 1.00 0.00 C ATOM 365 O ILE A 440 -0.542 -4.045 6.403 1.00 0.00 O ATOM 366 CB ILE A 440 -2.112 -2.584 4.150 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.613 -2.674 2.708 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.276 -1.169 4.687 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.115 -2.539 2.580 1.00 0.00 C ATOM 0 H ILE A 440 -1.234 -4.916 3.564 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.019 -2.287 3.715 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.710 -3.257 4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.135 -1.894 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.305 -3.630 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.323 -0.874 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -1.954 -1.135 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.669 -0.483 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.399 -2.612 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.601 -3.335 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.428 -1.572 2.974 1.00 0.00 H new ATOM 381 N LEU A 441 0.497 -2.065 6.150 1.00 0.00 N ATOM 382 CA LEU A 441 0.958 -2.007 7.533 1.00 0.00 C ATOM 383 C LEU A 441 0.027 -1.146 8.381 1.00 0.00 C ATOM 384 O LEU A 441 -0.400 -1.554 9.461 1.00 0.00 O ATOM 385 CB LEU A 441 2.382 -1.450 7.594 1.00 0.00 C ATOM 386 CG LEU A 441 3.453 -2.269 6.874 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.658 -1.401 6.547 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.869 -3.465 7.719 1.00 0.00 C ATOM 0 H LEU A 441 0.772 -1.265 5.580 1.00 0.00 H new ATOM 0 HA LEU A 441 0.953 -3.020 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.376 -0.445 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.669 -1.354 8.641 1.00 0.00 H new ATOM 0 HG LEU A 441 3.032 -2.639 5.939 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.410 -2.001 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.349 -0.578 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.079 -1.001 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.632 -4.036 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 441 4.271 -3.116 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 441 3.002 -4.100 7.902 1.00 0.00 H new ATOM 400 N SER A 442 -0.285 0.046 7.884 1.00 0.00 N ATOM 401 CA SER A 442 -1.165 0.966 8.596 1.00 0.00 C ATOM 402 C SER A 442 -1.890 1.889 7.622 1.00 0.00 C ATOM 403 O SER A 442 -1.490 2.029 6.466 1.00 0.00 O ATOM 404 CB SER A 442 -0.364 1.795 9.602 1.00 0.00 C ATOM 405 OG SER A 442 0.523 2.681 8.941 1.00 0.00 O ATOM 0 H SER A 442 0.059 0.398 6.990 1.00 0.00 H new ATOM 0 HA SER A 442 -1.909 0.376 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 442 -1.046 2.363 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 442 0.201 1.132 10.257 1.00 0.00 H new ATOM 0 HG SER A 442 1.022 3.201 9.605 1.00 0.00 H new ATOM 411 N VAL A 443 -2.961 2.516 8.097 1.00 0.00 N ATOM 412 CA VAL A 443 -3.744 3.427 7.270 1.00 0.00 C ATOM 413 C VAL A 443 -3.772 4.828 7.871 1.00 0.00 C ATOM 414 O VAL A 443 -4.171 5.014 9.020 1.00 0.00 O ATOM 415 CB VAL A 443 -5.189 2.926 7.096 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.019 3.944 6.329 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.204 1.576 6.394 1.00 0.00 C ATOM 0 H VAL A 443 -3.307 2.410 9.051 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.260 3.463 6.294 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.633 2.801 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.037 3.572 6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.036 4.887 6.876 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.580 4.104 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.234 1.237 6.279 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.742 1.672 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.647 0.851 6.988 1.00 0.00 H new ATOM 427 N ASP A 444 -3.346 5.811 7.085 1.00 0.00 N ATOM 428 CA ASP A 444 -3.324 7.197 7.539 1.00 0.00 C ATOM 429 C ASP A 444 -4.173 8.080 6.629 1.00 0.00 C ATOM 430 O ASP A 444 -3.661 8.708 5.703 1.00 0.00 O ATOM 431 CB ASP A 444 -1.887 7.719 7.581 1.00 0.00 C ATOM 432 CG ASP A 444 -1.119 7.203 8.782 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.146 5.978 9.021 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.492 8.024 9.484 1.00 0.00 O ATOM 0 H ASP A 444 -3.012 5.674 6.131 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.744 7.232 8.544 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.369 7.424 6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.900 8.809 7.602 1.00 0.00 H new ATOM 439 N GLY A 445 -5.474 8.122 6.899 1.00 0.00 N ATOM 440 CA GLY A 445 -6.373 8.930 6.095 1.00 0.00 C ATOM 441 C GLY A 445 -6.189 8.696 4.608 1.00 0.00 C ATOM 442 O GLY A 445 -6.386 7.584 4.119 1.00 0.00 O ATOM 0 H GLY A 445 -5.922 7.611 7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.403 8.705 6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.206 9.984 6.317 1.00 0.00 H new ATOM 446 N ASN A 446 -5.813 9.747 3.888 1.00 0.00 N ATOM 447 CA ASN A 446 -5.605 9.652 2.447 1.00 0.00 C ATOM 448 C ASN A 446 -4.352 8.841 2.131 1.00 0.00 C ATOM 449 O ASN A 446 -4.308 8.104 1.146 1.00 0.00 O ATOM 450 CB ASN A 446 -5.490 11.049 1.834 1.00 0.00 C ATOM 451 CG ASN A 446 -6.424 12.047 2.490 1.00 0.00 C ATOM 452 OD1 ASN A 446 -5.986 13.063 3.029 1.00 0.00 O ATOM 453 ND2 ASN A 446 -7.721 11.761 2.448 1.00 0.00 N ATOM 0 H ASN A 446 -5.646 10.675 4.278 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.465 9.142 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.463 11.401 1.928 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.712 10.994 0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -8.397 12.395 2.873 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -8.040 10.907 1.990 1.00 0.00 H new ATOM 460 N LYS A 447 -3.335 8.981 2.974 1.00 0.00 N ATOM 461 CA LYS A 447 -2.080 8.261 2.787 1.00 0.00 C ATOM 462 C LYS A 447 -2.147 6.877 3.425 1.00 0.00 C ATOM 463 O LYS A 447 -2.710 6.709 4.507 1.00 0.00 O ATOM 464 CB LYS A 447 -0.918 9.056 3.387 1.00 0.00 C ATOM 465 CG LYS A 447 -0.518 10.266 2.562 1.00 0.00 C ATOM 466 CD LYS A 447 0.232 11.289 3.399 1.00 0.00 C ATOM 467 CE LYS A 447 -0.701 12.028 4.345 1.00 0.00 C ATOM 468 NZ LYS A 447 -0.132 13.334 4.778 1.00 0.00 N ATOM 0 H LYS A 447 -3.355 9.587 3.794 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.915 8.140 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.193 9.385 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.055 8.398 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.108 9.948 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.409 10.727 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.012 10.789 3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.728 12.004 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.659 12.195 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.896 11.409 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.798 13.807 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.770 13.174 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.030 13.935 3.945 1.00 0.00 H new ATOM 482 N ILE A 448 -1.569 5.891 2.748 1.00 0.00 N ATOM 483 CA ILE A 448 -1.561 4.523 3.251 1.00 0.00 C ATOM 484 C ILE A 448 -0.138 3.990 3.374 1.00 0.00 C ATOM 485 O ILE A 448 0.556 3.803 2.374 1.00 0.00 O ATOM 486 CB ILE A 448 -2.372 3.583 2.339 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.733 4.202 2.014 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.546 2.224 3.000 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.707 4.162 3.171 1.00 0.00 C ATOM 0 H ILE A 448 -1.100 6.014 1.850 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.024 4.548 4.238 1.00 0.00 H new ATOM 0 HB ILE A 448 -1.825 3.444 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.588 5.238 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.169 3.676 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.121 1.571 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.567 1.782 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.075 2.344 3.946 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.650 4.618 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -4.882 3.127 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.292 4.713 4.015 1.00 0.00 H new ATOM 501 N THR A 449 0.293 3.745 4.608 1.00 0.00 N ATOM 502 CA THR A 449 1.633 3.233 4.863 1.00 0.00 C ATOM 503 C THR A 449 1.674 1.714 4.739 1.00 0.00 C ATOM 504 O THR A 449 1.069 1.001 5.540 1.00 0.00 O ATOM 505 CB THR A 449 2.132 3.637 6.263 1.00 0.00 C ATOM 506 OG1 THR A 449 1.887 5.030 6.488 1.00 0.00 O ATOM 507 CG2 THR A 449 3.618 3.348 6.412 1.00 0.00 C ATOM 0 H THR A 449 -0.268 3.893 5.447 1.00 0.00 H new ATOM 0 HA THR A 449 2.288 3.674 4.111 1.00 0.00 H new ATOM 0 HB THR A 449 1.588 3.049 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.206 5.278 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 449 3.948 3.642 7.409 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.797 2.282 6.270 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.175 3.913 5.665 1.00 0.00 H new ATOM 515 N ILE A 450 2.392 1.226 3.733 1.00 0.00 N ATOM 516 CA ILE A 450 2.512 -0.209 3.507 1.00 0.00 C ATOM 517 C ILE A 450 3.954 -0.597 3.198 1.00 0.00 C ATOM 518 O ILE A 450 4.837 0.258 3.130 1.00 0.00 O ATOM 519 CB ILE A 450 1.608 -0.675 2.351 1.00 0.00 C ATOM 520 CG1 ILE A 450 2.152 -0.168 1.013 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.182 -0.191 2.566 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.552 -0.867 -0.186 1.00 0.00 C ATOM 0 H ILE A 450 2.899 1.803 3.062 1.00 0.00 H new ATOM 0 HA ILE A 450 2.194 -0.701 4.426 1.00 0.00 H new ATOM 0 HB ILE A 450 1.602 -1.765 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.960 0.902 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.234 -0.299 0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.445 -0.528 1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.202 -0.595 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.170 0.898 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.983 -0.457 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.767 -1.934 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.473 -0.714 -0.194 1.00 0.00 H new ATOM 534 N MET A 451 4.185 -1.892 3.011 1.00 0.00 N ATOM 535 CA MET A 451 5.520 -2.394 2.706 1.00 0.00 C ATOM 536 C MET A 451 5.485 -3.343 1.512 1.00 0.00 C ATOM 537 O MET A 451 5.011 -4.475 1.603 1.00 0.00 O ATOM 538 CB MET A 451 6.110 -3.108 3.923 1.00 0.00 C ATOM 539 CG MET A 451 7.508 -3.657 3.688 1.00 0.00 C ATOM 540 SD MET A 451 8.676 -2.384 3.169 1.00 0.00 S ATOM 541 CE MET A 451 9.551 -3.240 1.862 1.00 0.00 C ATOM 0 H MET A 451 3.465 -2.613 3.065 1.00 0.00 H new ATOM 0 HA MET A 451 6.152 -1.543 2.452 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.138 -2.414 4.763 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.450 -3.927 4.208 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.869 -4.124 4.604 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.465 -4.437 2.928 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.615 -3.013 1.927 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.402 -4.315 1.967 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.169 -2.914 0.894 1.00 0.00 H new ATOM 551 N PRO A 452 5.998 -2.872 0.366 1.00 0.00 N ATOM 552 CA PRO A 452 6.036 -3.663 -0.868 1.00 0.00 C ATOM 553 C PRO A 452 7.028 -4.818 -0.785 1.00 0.00 C ATOM 554 O PRO A 452 8.005 -4.759 -0.037 1.00 0.00 O ATOM 555 CB PRO A 452 6.483 -2.650 -1.925 1.00 0.00 C ATOM 556 CG PRO A 452 7.238 -1.616 -1.164 1.00 0.00 C ATOM 557 CD PRO A 452 6.579 -1.531 0.185 1.00 0.00 C ATOM 0 HA PRO A 452 5.074 -4.129 -1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.110 -3.120 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.628 -2.215 -2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.288 -1.891 -1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.206 -0.654 -1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.298 -1.295 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.814 -0.755 0.210 1.00 0.00 H new ATOM 565 N LYS A 453 6.772 -5.869 -1.557 1.00 0.00 N ATOM 566 CA LYS A 453 7.642 -7.038 -1.573 1.00 0.00 C ATOM 567 C LYS A 453 8.619 -6.974 -2.743 1.00 0.00 C ATOM 568 O LYS A 453 8.293 -7.380 -3.859 1.00 0.00 O ATOM 569 CB LYS A 453 6.809 -8.319 -1.660 1.00 0.00 C ATOM 570 CG LYS A 453 5.889 -8.528 -0.470 1.00 0.00 C ATOM 571 CD LYS A 453 6.671 -8.888 0.783 1.00 0.00 C ATOM 572 CE LYS A 453 7.101 -10.347 0.771 1.00 0.00 C ATOM 573 NZ LYS A 453 5.975 -11.260 1.115 1.00 0.00 N ATOM 0 H LYS A 453 5.967 -5.934 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 453 8.214 -7.046 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.211 -8.292 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.480 -9.174 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.312 -7.621 -0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.176 -9.321 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.551 -8.249 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.058 -8.695 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 453 7.488 -10.603 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.916 -10.491 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 6.327 -12.236 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 5.567 -10.978 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.244 -11.203 0.377 1.00 0.00 H new ATOM 587 N HIS A 454 9.817 -6.462 -2.481 1.00 0.00 N ATOM 588 CA HIS A 454 10.842 -6.347 -3.512 1.00 0.00 C ATOM 589 C HIS A 454 12.235 -6.301 -2.892 1.00 0.00 C ATOM 590 O HIS A 454 12.472 -5.571 -1.931 1.00 0.00 O ATOM 591 CB HIS A 454 10.606 -5.095 -4.357 1.00 0.00 C ATOM 592 CG HIS A 454 11.216 -5.170 -5.723 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.522 -5.553 -5.944 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.690 -4.911 -6.943 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.774 -5.524 -7.241 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.678 -5.138 -7.869 1.00 0.00 N ATOM 0 H HIS A 454 10.102 -6.120 -1.563 1.00 0.00 H new ATOM 0 HA HIS A 454 10.778 -7.227 -4.152 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.533 -4.930 -4.456 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.014 -4.231 -3.833 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.681 -4.586 -7.150 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.715 -5.773 -7.708 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.581 -5.027 -8.878 1.00 0.00 H new ATOM 604 N GLU A 455 13.151 -7.088 -3.448 1.00 0.00 N ATOM 605 CA GLU A 455 14.520 -7.138 -2.947 1.00 0.00 C ATOM 606 C GLU A 455 15.089 -5.732 -2.777 1.00 0.00 C ATOM 607 O GLU A 455 15.467 -5.333 -1.675 1.00 0.00 O ATOM 608 CB GLU A 455 15.405 -7.946 -3.897 1.00 0.00 C ATOM 609 CG GLU A 455 16.880 -7.911 -3.533 1.00 0.00 C ATOM 610 CD GLU A 455 17.761 -8.521 -4.607 1.00 0.00 C ATOM 611 OE1 GLU A 455 17.925 -7.888 -5.670 1.00 0.00 O ATOM 612 OE2 GLU A 455 18.286 -9.631 -4.382 1.00 0.00 O ATOM 0 H GLU A 455 12.970 -7.699 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 455 14.505 -7.626 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 455 15.066 -8.982 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.280 -7.563 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 455 17.184 -6.878 -3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 455 17.032 -8.447 -2.596 1.00 0.00 H new ATOM 619 N ASP A 456 15.146 -4.987 -3.875 1.00 0.00 N ATOM 620 CA ASP A 456 15.668 -3.625 -3.849 1.00 0.00 C ATOM 621 C ASP A 456 15.036 -2.823 -2.715 1.00 0.00 C ATOM 622 O ASP A 456 15.716 -2.422 -1.770 1.00 0.00 O ATOM 623 CB ASP A 456 15.410 -2.931 -5.187 1.00 0.00 C ATOM 624 CG ASP A 456 16.422 -1.842 -5.479 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.636 -2.131 -5.430 1.00 0.00 O ATOM 626 OD2 ASP A 456 16.001 -0.699 -5.756 1.00 0.00 O ATOM 0 H ASP A 456 14.837 -5.303 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 456 16.743 -3.677 -3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.435 -3.671 -5.987 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.409 -2.501 -5.182 1.00 0.00 H new ATOM 631 N LEU A 457 13.732 -2.591 -2.817 1.00 0.00 N ATOM 632 CA LEU A 457 13.008 -1.835 -1.801 1.00 0.00 C ATOM 633 C LEU A 457 13.099 -2.523 -0.443 1.00 0.00 C ATOM 634 O LEU A 457 12.786 -3.706 -0.311 1.00 0.00 O ATOM 635 CB LEU A 457 11.541 -1.674 -2.206 1.00 0.00 C ATOM 636 CG LEU A 457 11.267 -0.721 -3.370 1.00 0.00 C ATOM 637 CD1 LEU A 457 11.692 -1.351 -4.688 1.00 0.00 C ATOM 638 CD2 LEU A 457 9.795 -0.338 -3.410 1.00 0.00 C ATOM 0 H LEU A 457 13.154 -2.915 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 457 13.467 -0.850 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.147 -2.656 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 457 10.981 -1.326 -1.338 1.00 0.00 H new ATOM 0 HG LEU A 457 11.854 0.185 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 457 11.489 -0.658 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 457 12.759 -1.574 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 457 11.133 -2.273 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 457 9.618 0.341 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 457 9.189 -1.235 -3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 457 9.522 0.155 -2.477 1.00 0.00 H new ATOM 650 N LYS A 458 13.530 -1.772 0.566 1.00 0.00 N ATOM 651 CA LYS A 458 13.660 -2.307 1.916 1.00 0.00 C ATOM 652 C LYS A 458 12.772 -1.542 2.892 1.00 0.00 C ATOM 653 O LYS A 458 12.130 -2.136 3.759 1.00 0.00 O ATOM 654 CB LYS A 458 15.118 -2.238 2.376 1.00 0.00 C ATOM 655 CG LYS A 458 16.025 -3.234 1.673 1.00 0.00 C ATOM 656 CD LYS A 458 17.471 -3.076 2.110 1.00 0.00 C ATOM 657 CE LYS A 458 18.179 -1.991 1.313 1.00 0.00 C ATOM 658 NZ LYS A 458 18.549 -2.458 -0.052 1.00 0.00 N ATOM 0 H LYS A 458 13.795 -0.791 0.474 1.00 0.00 H new ATOM 0 HA LYS A 458 13.339 -3.349 1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.497 -1.230 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.160 -2.416 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.688 -4.248 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 458 15.953 -3.095 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.507 -2.831 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.996 -4.023 1.984 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.532 -1.117 1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 458 19.077 -1.677 1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.239 -1.801 -0.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 18.967 -3.408 0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 17.699 -2.491 -0.650 1.00 0.00 H new ATOM 672 N ASP A 459 12.738 -0.222 2.744 1.00 0.00 N ATOM 673 CA ASP A 459 11.926 0.624 3.612 1.00 0.00 C ATOM 674 C ASP A 459 10.477 0.656 3.137 1.00 0.00 C ATOM 675 O ASP A 459 10.179 0.302 1.997 1.00 0.00 O ATOM 676 CB ASP A 459 12.494 2.044 3.651 1.00 0.00 C ATOM 677 CG ASP A 459 11.971 2.908 2.521 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.018 2.457 1.357 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.513 4.036 2.800 1.00 0.00 O ATOM 0 H ASP A 459 13.263 0.285 2.032 1.00 0.00 H new ATOM 0 HA ASP A 459 11.951 0.203 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 459 12.242 2.507 4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 459 13.582 1.999 3.596 1.00 0.00 H new ATOM 684 N MET A 460 9.580 1.080 4.021 1.00 0.00 N ATOM 685 CA MET A 460 8.161 1.157 3.692 1.00 0.00 C ATOM 686 C MET A 460 7.862 2.404 2.866 1.00 0.00 C ATOM 687 O MET A 460 8.676 3.326 2.797 1.00 0.00 O ATOM 688 CB MET A 460 7.319 1.164 4.970 1.00 0.00 C ATOM 689 CG MET A 460 7.566 2.376 5.854 1.00 0.00 C ATOM 690 SD MET A 460 7.253 2.038 7.598 1.00 0.00 S ATOM 691 CE MET A 460 6.736 3.655 8.168 1.00 0.00 C ATOM 0 H MET A 460 9.810 1.375 4.970 1.00 0.00 H new ATOM 0 HA MET A 460 7.902 0.279 3.100 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.263 1.130 4.700 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.531 0.259 5.540 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.597 2.706 5.731 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.927 3.196 5.526 1.00 0.00 H new ATOM 0 HE1 MET A 460 6.077 3.544 9.029 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.612 4.237 8.454 1.00 0.00 H new ATOM 0 HE3 MET A 460 6.204 4.170 7.368 1.00 0.00 H new ATOM 701 N LEU A 461 6.690 2.426 2.240 1.00 0.00 N ATOM 702 CA LEU A 461 6.284 3.560 1.417 1.00 0.00 C ATOM 703 C LEU A 461 4.868 4.007 1.767 1.00 0.00 C ATOM 704 O LEU A 461 4.225 3.432 2.644 1.00 0.00 O ATOM 705 CB LEU A 461 6.363 3.194 -0.066 1.00 0.00 C ATOM 706 CG LEU A 461 7.767 2.954 -0.624 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.292 1.597 -0.182 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.762 3.058 -2.142 1.00 0.00 C ATOM 0 H LEU A 461 6.005 1.672 2.287 1.00 0.00 H new ATOM 0 HA LEU A 461 6.967 4.386 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.770 2.294 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.896 3.993 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 461 8.431 3.723 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.292 1.444 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.333 1.560 0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.628 0.813 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.769 2.885 -2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.084 2.311 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.429 4.053 -2.437 1.00 0.00 H new ATOM 720 N GLU A 462 4.389 5.035 1.074 1.00 0.00 N ATOM 721 CA GLU A 462 3.048 5.557 1.311 1.00 0.00 C ATOM 722 C GLU A 462 2.359 5.907 -0.005 1.00 0.00 C ATOM 723 O GLU A 462 2.926 6.601 -0.850 1.00 0.00 O ATOM 724 CB GLU A 462 3.110 6.793 2.211 1.00 0.00 C ATOM 725 CG GLU A 462 3.086 6.468 3.695 1.00 0.00 C ATOM 726 CD GLU A 462 3.760 7.534 4.537 1.00 0.00 C ATOM 727 OE1 GLU A 462 3.117 8.570 4.806 1.00 0.00 O ATOM 728 OE2 GLU A 462 4.929 7.332 4.927 1.00 0.00 O ATOM 0 H GLU A 462 4.909 5.523 0.344 1.00 0.00 H new ATOM 0 HA GLU A 462 2.467 4.781 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 462 4.018 7.351 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.268 7.445 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 462 2.052 6.353 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.582 5.512 3.862 1.00 0.00 H new ATOM 735 N PHE A 463 1.134 5.421 -0.172 1.00 0.00 N ATOM 736 CA PHE A 463 0.368 5.680 -1.385 1.00 0.00 C ATOM 737 C PHE A 463 -1.072 6.056 -1.049 1.00 0.00 C ATOM 738 O PHE A 463 -1.634 5.627 -0.041 1.00 0.00 O ATOM 739 CB PHE A 463 0.386 4.451 -2.297 1.00 0.00 C ATOM 740 CG PHE A 463 1.690 3.707 -2.275 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.706 4.036 -3.159 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.901 2.678 -1.371 1.00 0.00 C ATOM 743 CE1 PHE A 463 3.908 3.354 -3.141 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.101 1.993 -1.348 1.00 0.00 C ATOM 745 CZ PHE A 463 4.105 2.330 -2.235 1.00 0.00 C ATOM 0 H PHE A 463 0.650 4.846 0.517 1.00 0.00 H new ATOM 0 HA PHE A 463 0.832 6.518 -1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.414 3.774 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.173 4.764 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.556 4.835 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.119 2.408 -0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.692 3.621 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.254 1.195 -0.637 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.042 1.794 -2.220 1.00 0.00 H new ATOM 755 N PRO A 464 -1.685 6.879 -1.913 1.00 0.00 N ATOM 756 CA PRO A 464 -3.067 7.333 -1.730 1.00 0.00 C ATOM 757 C PRO A 464 -4.078 6.209 -1.932 1.00 0.00 C ATOM 758 O PRO A 464 -3.895 5.344 -2.788 1.00 0.00 O ATOM 759 CB PRO A 464 -3.235 8.404 -2.810 1.00 0.00 C ATOM 760 CG PRO A 464 -2.243 8.041 -3.861 1.00 0.00 C ATOM 761 CD PRO A 464 -1.076 7.430 -3.136 1.00 0.00 C ATOM 0 HA PRO A 464 -3.246 7.697 -0.718 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.250 8.409 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.044 9.401 -2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.671 7.337 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.934 8.920 -4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.595 6.653 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.313 8.173 -2.905 1.00 0.00 H new ATOM 769 N ALA A 465 -5.144 6.229 -1.139 1.00 0.00 N ATOM 770 CA ALA A 465 -6.185 5.212 -1.233 1.00 0.00 C ATOM 771 C ALA A 465 -6.555 4.939 -2.687 1.00 0.00 C ATOM 772 O ALA A 465 -7.053 3.864 -3.018 1.00 0.00 O ATOM 773 CB ALA A 465 -7.414 5.641 -0.445 1.00 0.00 C ATOM 0 H ALA A 465 -5.310 6.938 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.797 4.288 -0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.183 4.873 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.145 5.779 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.796 6.579 -0.848 1.00 0.00 H new ATOM 779 N GLN A 466 -6.309 5.919 -3.550 1.00 0.00 N ATOM 780 CA GLN A 466 -6.619 5.784 -4.969 1.00 0.00 C ATOM 781 C GLN A 466 -5.581 4.914 -5.671 1.00 0.00 C ATOM 782 O GLN A 466 -5.928 3.975 -6.387 1.00 0.00 O ATOM 783 CB GLN A 466 -6.681 7.160 -5.633 1.00 0.00 C ATOM 784 CG GLN A 466 -6.918 7.102 -7.133 1.00 0.00 C ATOM 785 CD GLN A 466 -7.500 8.389 -7.683 1.00 0.00 C ATOM 786 OE1 GLN A 466 -8.446 8.944 -7.124 1.00 0.00 O ATOM 787 NE2 GLN A 466 -6.936 8.871 -8.784 1.00 0.00 N ATOM 0 H GLN A 466 -5.896 6.815 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.592 5.302 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.478 7.742 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -5.747 7.689 -5.441 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.976 6.889 -7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -7.594 6.277 -7.358 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -6.154 8.378 -9.214 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -7.285 9.735 -9.200 1.00 0.00 H new ATOM 796 N GLU A 467 -4.308 5.234 -5.462 1.00 0.00 N ATOM 797 CA GLU A 467 -3.221 4.481 -6.077 1.00 0.00 C ATOM 798 C GLU A 467 -3.305 3.003 -5.707 1.00 0.00 C ATOM 799 O GLU A 467 -3.087 2.128 -6.546 1.00 0.00 O ATOM 800 CB GLU A 467 -1.868 5.051 -5.645 1.00 0.00 C ATOM 801 CG GLU A 467 -1.349 6.148 -6.560 1.00 0.00 C ATOM 802 CD GLU A 467 -2.416 7.166 -6.912 1.00 0.00 C ATOM 803 OE1 GLU A 467 -3.414 6.782 -7.557 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.252 8.348 -6.543 1.00 0.00 O ATOM 0 H GLU A 467 -4.004 6.009 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.317 4.572 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.956 5.445 -4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.137 4.243 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.514 6.655 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.963 5.700 -7.476 1.00 0.00 H new ATOM 811 N LEU A 468 -3.620 2.733 -4.445 1.00 0.00 N ATOM 812 CA LEU A 468 -3.732 1.361 -3.962 1.00 0.00 C ATOM 813 C LEU A 468 -5.160 0.846 -4.111 1.00 0.00 C ATOM 814 O LEU A 468 -6.122 1.585 -3.902 1.00 0.00 O ATOM 815 CB LEU A 468 -3.299 1.279 -2.497 1.00 0.00 C ATOM 816 CG LEU A 468 -1.793 1.326 -2.239 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.511 1.504 -0.755 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.122 0.064 -2.763 1.00 0.00 C ATOM 0 H LEU A 468 -3.802 3.445 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.075 0.735 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.766 2.101 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.691 0.354 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.379 2.182 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.434 1.535 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -1.958 2.436 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.939 0.669 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.050 0.115 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.540 -0.807 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.294 -0.021 -3.836 1.00 0.00 H new ATOM 830 N ARG A 469 -5.290 -0.426 -4.473 1.00 0.00 N ATOM 831 CA ARG A 469 -6.600 -1.041 -4.650 1.00 0.00 C ATOM 832 C ARG A 469 -6.584 -2.497 -4.194 1.00 0.00 C ATOM 833 O ARG A 469 -5.547 -3.160 -4.235 1.00 0.00 O ATOM 834 CB ARG A 469 -7.032 -0.958 -6.115 1.00 0.00 C ATOM 835 CG ARG A 469 -6.254 -1.888 -7.033 1.00 0.00 C ATOM 836 CD ARG A 469 -6.889 -3.269 -7.095 1.00 0.00 C ATOM 837 NE ARG A 469 -8.337 -3.198 -7.273 1.00 0.00 N ATOM 838 CZ ARG A 469 -8.922 -2.935 -8.436 1.00 0.00 C ATOM 839 NH1 ARG A 469 -8.187 -2.718 -9.518 1.00 0.00 N ATOM 840 NH2 ARG A 469 -10.246 -2.888 -8.518 1.00 0.00 N ATOM 0 H ARG A 469 -4.504 -1.051 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.316 -0.495 -4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -8.093 -1.195 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -6.911 0.068 -6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.212 -1.460 -8.035 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -5.227 -1.974 -6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -6.450 -3.833 -7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -6.663 -3.814 -6.178 1.00 0.00 H new ATOM 0 HE ARG A 469 -8.931 -3.359 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -7.169 -2.753 -9.459 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -8.639 -2.516 -10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.815 -3.054 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -10.695 -2.686 -9.411 1.00 0.00 H new