USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=6 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 Single : A 421 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 425 ASN : amide:sc= -0.225 K(o=-0.22,f=-2.6!) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -0.0461 X(o=-0.046,f=0) USER MOD Single : A 437 GLN : amide:sc= -4.34! C(o=-4.3!,f=-12!) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 31:sc= 0.291 USER MOD Single : A 446 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0667) USER MOD Single : A 449 THR OG1 : rot 180:sc= -0.0698 USER MOD Single : A 451 MET CE :methyl -143:sc= -2.92 (180deg=-6.95!) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-4.1!) USER MOD Single : A 458 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00709) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.293 1.827 6.138 1.00 0.00 N ATOM 67 CA PHE A 420 -9.598 0.605 5.752 1.00 0.00 C ATOM 68 C PHE A 420 -8.648 0.148 6.855 1.00 0.00 C ATOM 69 O PHE A 420 -8.152 0.960 7.636 1.00 0.00 O ATOM 70 CB PHE A 420 -8.821 0.824 4.452 1.00 0.00 C ATOM 71 CG PHE A 420 -9.653 0.627 3.217 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.260 -0.591 2.961 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.826 1.661 2.311 1.00 0.00 C ATOM 74 CE1 PHE A 420 -11.026 -0.775 1.825 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.591 1.484 1.174 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.191 0.264 0.930 1.00 0.00 C ATOM 0 HA PHE A 420 -10.344 -0.174 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.412 1.834 4.448 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -7.975 0.138 4.424 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.133 -1.407 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.357 2.616 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.495 -1.730 1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.720 2.299 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.788 0.123 0.041 1.00 0.00 H new ATOM 86 N GLN A 421 -8.400 -1.156 6.912 1.00 0.00 N ATOM 87 CA GLN A 421 -7.510 -1.721 7.920 1.00 0.00 C ATOM 88 C GLN A 421 -6.247 -2.284 7.277 1.00 0.00 C ATOM 89 O GLN A 421 -6.283 -2.886 6.203 1.00 0.00 O ATOM 90 CB GLN A 421 -8.229 -2.818 8.707 1.00 0.00 C ATOM 91 CG GLN A 421 -9.007 -2.298 9.904 1.00 0.00 C ATOM 92 CD GLN A 421 -9.591 -3.412 10.750 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.204 -4.574 10.621 1.00 0.00 O ATOM 94 NE2 GLN A 421 -10.529 -3.064 11.623 1.00 0.00 N ATOM 0 H GLN A 421 -8.802 -1.841 6.273 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.222 -0.922 8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.913 -3.343 8.040 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.495 -3.548 9.050 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -8.350 -1.685 10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -9.812 -1.651 9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -10.820 -2.089 11.697 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -10.958 -3.771 12.219 1.00 0.00 H new ATOM 103 N PRO A 422 -5.102 -2.085 7.947 1.00 0.00 N ATOM 104 CA PRO A 422 -3.806 -2.566 7.459 1.00 0.00 C ATOM 105 C PRO A 422 -3.691 -4.085 7.519 1.00 0.00 C ATOM 106 O PRO A 422 -4.512 -4.755 8.144 1.00 0.00 O ATOM 107 CB PRO A 422 -2.804 -1.916 8.416 1.00 0.00 C ATOM 108 CG PRO A 422 -3.577 -1.674 9.667 1.00 0.00 C ATOM 109 CD PRO A 422 -4.985 -1.377 9.232 1.00 0.00 C ATOM 0 HA PRO A 422 -3.644 -2.310 6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -1.950 -2.569 8.598 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.412 -0.985 8.006 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.546 -2.546 10.320 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.158 -0.840 10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.714 -1.738 9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.153 -0.306 9.117 1.00 0.00 H new ATOM 117 N GLY A 423 -2.667 -4.623 6.864 1.00 0.00 N ATOM 118 CA GLY A 423 -2.464 -6.060 6.855 1.00 0.00 C ATOM 119 C GLY A 423 -3.068 -6.724 5.634 1.00 0.00 C ATOM 120 O GLY A 423 -2.798 -7.893 5.357 1.00 0.00 O ATOM 0 H GLY A 423 -1.974 -4.089 6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.396 -6.273 6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -2.904 -6.491 7.754 1.00 0.00 H new ATOM 124 N ASP A 424 -3.889 -5.978 4.903 1.00 0.00 N ATOM 125 CA ASP A 424 -4.534 -6.502 3.704 1.00 0.00 C ATOM 126 C ASP A 424 -3.583 -6.461 2.513 1.00 0.00 C ATOM 127 O ASP A 424 -2.657 -5.651 2.473 1.00 0.00 O ATOM 128 CB ASP A 424 -5.800 -5.703 3.390 1.00 0.00 C ATOM 129 CG ASP A 424 -7.029 -6.274 4.068 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.036 -7.489 4.359 1.00 0.00 O ATOM 131 OD2 ASP A 424 -7.984 -5.507 4.310 1.00 0.00 O ATOM 0 H ASP A 424 -4.124 -5.009 5.119 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.806 -7.541 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.661 -4.669 3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -5.958 -5.687 2.312 1.00 0.00 H new ATOM 136 N ASN A 425 -3.816 -7.341 1.545 1.00 0.00 N ATOM 137 CA ASN A 425 -2.979 -7.406 0.352 1.00 0.00 C ATOM 138 C ASN A 425 -3.547 -6.531 -0.761 1.00 0.00 C ATOM 139 O ASN A 425 -4.657 -6.762 -1.241 1.00 0.00 O ATOM 140 CB ASN A 425 -2.857 -8.852 -0.132 1.00 0.00 C ATOM 141 CG ASN A 425 -1.972 -9.692 0.768 1.00 0.00 C ATOM 142 OD1 ASN A 425 -1.864 -9.433 1.967 1.00 0.00 O ATOM 143 ND2 ASN A 425 -1.332 -10.703 0.193 1.00 0.00 N ATOM 0 H ASN A 425 -4.578 -8.019 1.563 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.989 -7.032 0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -3.849 -9.300 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.453 -8.860 -1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -0.721 -11.302 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -1.451 -10.881 -0.804 1.00 0.00 H new ATOM 150 N VAL A 426 -2.779 -5.525 -1.166 1.00 0.00 N ATOM 151 CA VAL A 426 -3.204 -4.616 -2.224 1.00 0.00 C ATOM 152 C VAL A 426 -2.088 -4.391 -3.237 1.00 0.00 C ATOM 153 O VAL A 426 -1.010 -4.975 -3.128 1.00 0.00 O ATOM 154 CB VAL A 426 -3.644 -3.256 -1.651 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.915 -3.408 -0.829 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.530 -2.644 -0.815 1.00 0.00 C ATOM 0 H VAL A 426 -1.859 -5.319 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.053 -5.085 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.855 -2.583 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.210 -2.437 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.712 -3.800 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.734 -4.097 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.859 -1.683 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.285 -3.313 0.010 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.647 -2.497 -1.437 1.00 0.00 H new ATOM 166 N GLU A 427 -2.354 -3.540 -4.223 1.00 0.00 N ATOM 167 CA GLU A 427 -1.370 -3.238 -5.257 1.00 0.00 C ATOM 168 C GLU A 427 -1.696 -1.918 -5.949 1.00 0.00 C ATOM 169 O GLU A 427 -2.859 -1.527 -6.049 1.00 0.00 O ATOM 170 CB GLU A 427 -1.318 -4.368 -6.288 1.00 0.00 C ATOM 171 CG GLU A 427 -0.478 -4.038 -7.510 1.00 0.00 C ATOM 172 CD GLU A 427 -0.061 -5.275 -8.282 1.00 0.00 C ATOM 173 OE1 GLU A 427 -0.909 -5.836 -9.007 1.00 0.00 O ATOM 174 OE2 GLU A 427 1.114 -5.681 -8.161 1.00 0.00 O ATOM 0 H GLU A 427 -3.241 -3.048 -4.328 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.395 -3.147 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -0.917 -5.264 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.333 -4.604 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.043 -3.377 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.412 -3.492 -7.198 1.00 0.00 H new ATOM 181 N VAL A 428 -0.660 -1.235 -6.425 1.00 0.00 N ATOM 182 CA VAL A 428 -0.835 0.042 -7.108 1.00 0.00 C ATOM 183 C VAL A 428 -1.524 -0.146 -8.455 1.00 0.00 C ATOM 184 O VAL A 428 -1.320 -1.153 -9.134 1.00 0.00 O ATOM 185 CB VAL A 428 0.515 0.749 -7.329 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.325 2.020 -8.143 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.180 1.055 -5.996 1.00 0.00 C ATOM 0 H VAL A 428 0.309 -1.544 -6.350 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.461 0.662 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 428 1.168 0.081 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.290 2.506 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.106 1.770 -9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.345 2.696 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.133 1.555 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.533 1.705 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.352 0.125 -5.453 1.00 0.00 H new ATOM 197 N CYS A 429 -2.342 0.830 -8.836 1.00 0.00 N ATOM 198 CA CYS A 429 -3.063 0.772 -10.102 1.00 0.00 C ATOM 199 C CYS A 429 -2.348 1.591 -11.172 1.00 0.00 C ATOM 200 O CYS A 429 -2.314 1.207 -12.341 1.00 0.00 O ATOM 201 CB CYS A 429 -4.493 1.283 -9.922 1.00 0.00 C ATOM 202 SG CYS A 429 -5.577 0.954 -11.331 1.00 0.00 S ATOM 0 H CYS A 429 -2.522 1.670 -8.286 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.095 -0.268 -10.427 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.922 0.823 -9.032 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.464 2.358 -9.743 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.764 1.421 -11.083 1.00 0.00 H new ATOM 208 N GLU A 430 -1.780 2.722 -10.764 1.00 0.00 N ATOM 209 CA GLU A 430 -1.068 3.595 -11.689 1.00 0.00 C ATOM 210 C GLU A 430 0.094 4.295 -10.991 1.00 0.00 C ATOM 211 O GLU A 430 0.224 4.239 -9.769 1.00 0.00 O ATOM 212 CB GLU A 430 -2.023 4.635 -12.280 1.00 0.00 C ATOM 213 CG GLU A 430 -1.505 5.282 -13.554 1.00 0.00 C ATOM 214 CD GLU A 430 -0.782 4.299 -14.455 1.00 0.00 C ATOM 215 OE1 GLU A 430 -1.418 3.322 -14.900 1.00 0.00 O ATOM 216 OE2 GLU A 430 0.422 4.509 -14.714 1.00 0.00 O ATOM 0 H GLU A 430 -1.799 3.054 -9.800 1.00 0.00 H new ATOM 0 HA GLU A 430 -0.668 2.979 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -2.981 4.159 -12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.207 5.411 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -2.340 5.722 -14.099 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -0.829 6.097 -13.294 1.00 0.00 H new ATOM 223 N GLY A 431 0.939 4.955 -11.778 1.00 0.00 N ATOM 224 CA GLY A 431 2.080 5.656 -11.219 1.00 0.00 C ATOM 225 C GLY A 431 3.378 4.898 -11.412 1.00 0.00 C ATOM 226 O GLY A 431 3.378 3.671 -11.515 1.00 0.00 O ATOM 0 H GLY A 431 0.853 5.016 -12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.163 6.638 -11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.915 5.822 -10.154 1.00 0.00 H new ATOM 230 N GLU A 432 4.487 5.629 -11.462 1.00 0.00 N ATOM 231 CA GLU A 432 5.798 5.016 -11.647 1.00 0.00 C ATOM 232 C GLU A 432 5.926 3.745 -10.813 1.00 0.00 C ATOM 233 O GLU A 432 6.685 2.837 -11.156 1.00 0.00 O ATOM 234 CB GLU A 432 6.905 6.002 -11.268 1.00 0.00 C ATOM 235 CG GLU A 432 8.284 5.580 -11.745 1.00 0.00 C ATOM 236 CD GLU A 432 9.398 6.337 -11.048 1.00 0.00 C ATOM 237 OE1 GLU A 432 9.672 6.037 -9.867 1.00 0.00 O ATOM 238 OE2 GLU A 432 9.997 7.229 -11.684 1.00 0.00 O ATOM 0 H GLU A 432 4.504 6.645 -11.377 1.00 0.00 H new ATOM 0 HA GLU A 432 5.902 4.752 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.668 6.980 -11.687 1.00 0.00 H new ATOM 0 HB3 GLU A 432 6.924 6.116 -10.184 1.00 0.00 H new ATOM 0 HG2 GLU A 432 8.413 4.511 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 432 8.358 5.741 -12.821 1.00 0.00 H new ATOM 245 N LEU A 433 5.180 3.687 -9.715 1.00 0.00 N ATOM 246 CA LEU A 433 5.210 2.527 -8.830 1.00 0.00 C ATOM 247 C LEU A 433 4.090 1.551 -9.174 1.00 0.00 C ATOM 248 O LEU A 433 3.415 1.028 -8.287 1.00 0.00 O ATOM 249 CB LEU A 433 5.085 2.971 -7.372 1.00 0.00 C ATOM 250 CG LEU A 433 6.305 3.676 -6.778 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.910 4.483 -5.550 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.388 2.666 -6.429 1.00 0.00 C ATOM 0 H LEU A 433 4.547 4.429 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 433 6.164 2.019 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.228 3.639 -7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.865 2.094 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 433 6.704 4.362 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.791 4.978 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 433 5.170 5.233 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.486 3.817 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.248 3.186 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.001 1.955 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.692 2.133 -7.330 1.00 0.00 H new ATOM 264 N ILE A 434 3.900 1.308 -10.466 1.00 0.00 N ATOM 265 CA ILE A 434 2.864 0.391 -10.927 1.00 0.00 C ATOM 266 C ILE A 434 3.296 -1.060 -10.749 1.00 0.00 C ATOM 267 O ILE A 434 4.467 -1.344 -10.501 1.00 0.00 O ATOM 268 CB ILE A 434 2.515 0.634 -12.407 1.00 0.00 C ATOM 269 CG1 ILE A 434 1.272 -0.169 -12.799 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.693 0.264 -13.296 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.568 0.368 -14.025 1.00 0.00 C ATOM 0 H ILE A 434 4.450 1.733 -11.213 1.00 0.00 H new ATOM 0 HA ILE A 434 1.980 0.581 -10.318 1.00 0.00 H new ATOM 0 HB ILE A 434 2.299 1.693 -12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.560 -1.204 -12.980 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.574 -0.174 -11.962 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.431 0.441 -14.339 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.556 0.875 -13.030 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.937 -0.789 -13.157 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.303 -0.250 -14.244 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.249 1.394 -13.841 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.250 0.347 -14.875 1.00 0.00 H new ATOM 283 N ASN A 435 2.342 -1.976 -10.880 1.00 0.00 N ATOM 284 CA ASN A 435 2.624 -3.400 -10.735 1.00 0.00 C ATOM 285 C ASN A 435 3.386 -3.675 -9.443 1.00 0.00 C ATOM 286 O ASN A 435 4.251 -4.550 -9.393 1.00 0.00 O ATOM 287 CB ASN A 435 3.430 -3.906 -11.933 1.00 0.00 C ATOM 288 CG ASN A 435 2.563 -4.140 -13.156 1.00 0.00 C ATOM 289 OD1 ASN A 435 1.729 -5.046 -13.174 1.00 0.00 O ATOM 290 ND2 ASN A 435 2.758 -3.323 -14.184 1.00 0.00 N ATOM 0 H ASN A 435 1.367 -1.758 -11.086 1.00 0.00 H new ATOM 0 HA ASN A 435 1.673 -3.931 -10.695 1.00 0.00 H new ATOM 0 HB2 ASN A 435 4.208 -3.182 -12.176 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.932 -4.835 -11.663 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.205 -3.432 -15.034 1.00 0.00 H new ATOM 0 HD22 ASN A 435 3.461 -2.586 -14.124 1.00 0.00 H new ATOM 297 N LEU A 436 3.059 -2.922 -8.398 1.00 0.00 N ATOM 298 CA LEU A 436 3.712 -3.084 -7.104 1.00 0.00 C ATOM 299 C LEU A 436 2.735 -3.626 -6.065 1.00 0.00 C ATOM 300 O LEU A 436 1.874 -2.898 -5.571 1.00 0.00 O ATOM 301 CB LEU A 436 4.289 -1.749 -6.630 1.00 0.00 C ATOM 302 CG LEU A 436 5.176 -1.804 -5.386 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.473 -2.538 -5.688 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.462 -0.400 -4.872 1.00 0.00 C ATOM 0 H LEU A 436 2.346 -2.193 -8.422 1.00 0.00 H new ATOM 0 HA LEU A 436 4.524 -3.802 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.868 -1.317 -7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.461 -1.068 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 436 4.645 -2.352 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 436 7.092 -2.567 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.249 -3.556 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 436 7.009 -2.018 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.095 -0.459 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.973 0.174 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.524 0.092 -4.616 1.00 0.00 H new ATOM 316 N GLN A 437 2.876 -4.906 -5.738 1.00 0.00 N ATOM 317 CA GLN A 437 2.007 -5.545 -4.757 1.00 0.00 C ATOM 318 C GLN A 437 2.669 -5.579 -3.384 1.00 0.00 C ATOM 319 O GLN A 437 3.885 -5.435 -3.266 1.00 0.00 O ATOM 320 CB GLN A 437 1.656 -6.965 -5.203 1.00 0.00 C ATOM 321 CG GLN A 437 2.838 -7.921 -5.175 1.00 0.00 C ATOM 322 CD GLN A 437 3.012 -8.593 -3.827 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.448 -8.155 -2.824 1.00 0.00 O ATOM 324 NE2 GLN A 437 3.797 -9.664 -3.797 1.00 0.00 N ATOM 0 H GLN A 437 3.584 -5.521 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 437 1.091 -4.959 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.868 -7.355 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 437 1.252 -6.930 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.702 -8.683 -5.942 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.748 -7.375 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 437 4.245 -9.992 -4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 437 3.952 -10.158 -2.918 1.00 0.00 H new ATOM 333 N GLY A 438 1.860 -5.770 -2.346 1.00 0.00 N ATOM 334 CA GLY A 438 2.385 -5.819 -0.995 1.00 0.00 C ATOM 335 C GLY A 438 1.291 -5.806 0.054 1.00 0.00 C ATOM 336 O GLY A 438 0.105 -5.764 -0.275 1.00 0.00 O ATOM 0 H GLY A 438 0.850 -5.892 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.988 -6.719 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 438 3.047 -4.968 -0.835 1.00 0.00 H new ATOM 340 N LYS A 439 1.688 -5.842 1.322 1.00 0.00 N ATOM 341 CA LYS A 439 0.732 -5.834 2.423 1.00 0.00 C ATOM 342 C LYS A 439 0.660 -4.455 3.070 1.00 0.00 C ATOM 343 O LYS A 439 1.644 -3.716 3.089 1.00 0.00 O ATOM 344 CB LYS A 439 1.121 -6.881 3.470 1.00 0.00 C ATOM 345 CG LYS A 439 -0.066 -7.467 4.215 1.00 0.00 C ATOM 346 CD LYS A 439 0.373 -8.507 5.232 1.00 0.00 C ATOM 347 CE LYS A 439 0.972 -7.859 6.470 1.00 0.00 C ATOM 348 NZ LYS A 439 1.990 -8.732 7.116 1.00 0.00 N ATOM 0 H LYS A 439 2.665 -5.877 1.612 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.251 -6.079 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 439 1.666 -7.688 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.803 -6.427 4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.610 -6.669 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -0.756 -7.921 3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -0.481 -9.120 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 439 1.106 -9.174 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 439 1.430 -6.908 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 439 0.179 -7.637 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 2.374 -8.254 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 1.548 -9.629 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 2.760 -8.923 6.444 1.00 0.00 H new ATOM 362 N ILE A 440 -0.511 -4.116 3.600 1.00 0.00 N ATOM 363 CA ILE A 440 -0.710 -2.827 4.250 1.00 0.00 C ATOM 364 C ILE A 440 -0.204 -2.852 5.688 1.00 0.00 C ATOM 365 O ILE A 440 -0.255 -3.885 6.358 1.00 0.00 O ATOM 366 CB ILE A 440 -2.195 -2.418 4.247 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.767 -2.502 2.830 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.359 -1.014 4.808 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.278 -2.522 2.789 1.00 0.00 C ATOM 0 H ILE A 440 -1.336 -4.716 3.592 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.139 -2.095 3.679 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.748 -3.109 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.407 -1.652 2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.387 -3.401 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.414 -0.740 4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -1.985 -0.985 5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.796 -0.310 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.613 -2.582 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.646 -3.387 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.666 -1.611 3.243 1.00 0.00 H new ATOM 381 N LEU A 441 0.283 -1.709 6.159 1.00 0.00 N ATOM 382 CA LEU A 441 0.797 -1.599 7.519 1.00 0.00 C ATOM 383 C LEU A 441 -0.139 -0.765 8.389 1.00 0.00 C ATOM 384 O LEU A 441 -0.450 -1.140 9.519 1.00 0.00 O ATOM 385 CB LEU A 441 2.193 -0.975 7.509 1.00 0.00 C ATOM 386 CG LEU A 441 3.356 -1.937 7.263 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.680 -1.187 7.275 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.360 -3.046 8.304 1.00 0.00 C ATOM 0 H LEU A 441 0.333 -0.845 5.619 1.00 0.00 H new ATOM 0 HA LEU A 441 0.857 -2.602 7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.218 -0.202 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.354 -0.479 8.466 1.00 0.00 H new ATOM 0 HG LEU A 441 3.227 -2.390 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.496 -1.887 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.676 -0.429 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.817 -0.707 8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.194 -3.721 8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.465 -2.611 9.298 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.424 -3.601 8.248 1.00 0.00 H new ATOM 400 N SER A 442 -0.586 0.366 7.853 1.00 0.00 N ATOM 401 CA SER A 442 -1.485 1.254 8.580 1.00 0.00 C ATOM 402 C SER A 442 -2.333 2.078 7.616 1.00 0.00 C ATOM 403 O SER A 442 -2.064 2.119 6.415 1.00 0.00 O ATOM 404 CB SER A 442 -0.687 2.183 9.497 1.00 0.00 C ATOM 405 OG SER A 442 -0.484 1.592 10.769 1.00 0.00 O ATOM 0 H SER A 442 -0.340 0.689 6.917 1.00 0.00 H new ATOM 0 HA SER A 442 -2.150 0.639 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.276 2.411 9.040 1.00 0.00 H new ATOM 0 HB3 SER A 442 -1.217 3.129 9.612 1.00 0.00 H new ATOM 0 HG SER A 442 -0.429 0.618 10.672 1.00 0.00 H new ATOM 411 N VAL A 443 -3.358 2.733 8.150 1.00 0.00 N ATOM 412 CA VAL A 443 -4.245 3.558 7.339 1.00 0.00 C ATOM 413 C VAL A 443 -4.414 4.946 7.946 1.00 0.00 C ATOM 414 O VAL A 443 -5.131 5.120 8.932 1.00 0.00 O ATOM 415 CB VAL A 443 -5.632 2.905 7.184 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.554 3.797 6.367 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.504 1.530 6.546 1.00 0.00 C ATOM 0 H VAL A 443 -3.595 2.708 9.142 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.782 3.649 6.357 1.00 0.00 H new ATOM 0 HB VAL A 443 -6.070 2.782 8.175 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.529 3.319 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.670 4.758 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -6.125 3.954 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.493 1.083 6.444 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.046 1.627 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.881 0.894 7.175 1.00 0.00 H new ATOM 427 N ASP A 444 -3.749 5.930 7.352 1.00 0.00 N ATOM 428 CA ASP A 444 -3.827 7.305 7.833 1.00 0.00 C ATOM 429 C ASP A 444 -4.683 8.159 6.903 1.00 0.00 C ATOM 430 O ASP A 444 -4.180 8.753 5.950 1.00 0.00 O ATOM 431 CB ASP A 444 -2.426 7.906 7.952 1.00 0.00 C ATOM 432 CG ASP A 444 -1.657 7.355 9.136 1.00 0.00 C ATOM 433 OD1 ASP A 444 -2.195 7.394 10.263 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.519 6.883 8.937 1.00 0.00 O ATOM 0 H ASP A 444 -3.150 5.802 6.537 1.00 0.00 H new ATOM 0 HA ASP A 444 -4.294 7.293 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.869 7.706 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.506 8.989 8.047 1.00 0.00 H new ATOM 439 N GLY A 445 -5.981 8.214 7.187 1.00 0.00 N ATOM 440 CA GLY A 445 -6.887 8.997 6.366 1.00 0.00 C ATOM 441 C GLY A 445 -6.765 8.666 4.892 1.00 0.00 C ATOM 442 O GLY A 445 -7.119 7.569 4.464 1.00 0.00 O ATOM 0 H GLY A 445 -6.421 7.731 7.970 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.912 8.820 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.683 10.057 6.515 1.00 0.00 H new ATOM 446 N ASN A 446 -6.265 9.620 4.113 1.00 0.00 N ATOM 447 CA ASN A 446 -6.100 9.425 2.677 1.00 0.00 C ATOM 448 C ASN A 446 -4.786 8.710 2.372 1.00 0.00 C ATOM 449 O ASN A 446 -4.678 7.981 1.386 1.00 0.00 O ATOM 450 CB ASN A 446 -6.141 10.771 1.950 1.00 0.00 C ATOM 451 CG ASN A 446 -5.764 10.650 0.486 1.00 0.00 C ATOM 452 OD1 ASN A 446 -4.789 11.248 0.033 1.00 0.00 O ATOM 453 ND2 ASN A 446 -6.539 9.872 -0.261 1.00 0.00 N ATOM 0 H ASN A 446 -5.967 10.535 4.452 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.923 8.803 2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -7.142 11.194 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.461 11.467 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -6.336 9.751 -1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -7.338 9.395 0.158 1.00 0.00 H new ATOM 460 N LYS A 447 -3.791 8.925 3.225 1.00 0.00 N ATOM 461 CA LYS A 447 -2.485 8.300 3.050 1.00 0.00 C ATOM 462 C LYS A 447 -2.448 6.924 3.706 1.00 0.00 C ATOM 463 O LYS A 447 -2.859 6.762 4.855 1.00 0.00 O ATOM 464 CB LYS A 447 -1.389 9.189 3.643 1.00 0.00 C ATOM 465 CG LYS A 447 -0.891 10.260 2.688 1.00 0.00 C ATOM 466 CD LYS A 447 -0.046 9.665 1.574 1.00 0.00 C ATOM 467 CE LYS A 447 0.594 10.749 0.720 1.00 0.00 C ATOM 468 NZ LYS A 447 0.848 10.281 -0.671 1.00 0.00 N ATOM 0 H LYS A 447 -3.864 9.527 4.045 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.308 8.178 1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.770 9.667 4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.549 8.563 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.741 10.789 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.304 10.995 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.731 9.033 2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.667 9.025 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -0.056 11.624 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.534 11.063 1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 1.447 10.972 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.331 9.360 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.056 10.184 -1.175 1.00 0.00 H new ATOM 482 N ILE A 448 -1.951 5.936 2.968 1.00 0.00 N ATOM 483 CA ILE A 448 -1.858 4.574 3.480 1.00 0.00 C ATOM 484 C ILE A 448 -0.424 4.059 3.416 1.00 0.00 C ATOM 485 O ILE A 448 0.087 3.743 2.341 1.00 0.00 O ATOM 486 CB ILE A 448 -2.772 3.614 2.695 1.00 0.00 C ATOM 487 CG1 ILE A 448 -4.068 4.322 2.295 1.00 0.00 C ATOM 488 CG2 ILE A 448 -3.073 2.374 3.523 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.922 4.732 3.474 1.00 0.00 C ATOM 0 H ILE A 448 -1.607 6.053 2.015 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.184 4.605 4.520 1.00 0.00 H new ATOM 0 HB ILE A 448 -2.255 3.304 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.823 5.208 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.648 3.663 1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.720 1.705 2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -2.141 1.861 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.574 2.666 4.446 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.824 5.228 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.198 3.848 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.360 5.416 4.110 1.00 0.00 H new ATOM 501 N THR A 449 0.221 3.976 4.575 1.00 0.00 N ATOM 502 CA THR A 449 1.597 3.499 4.651 1.00 0.00 C ATOM 503 C THR A 449 1.656 1.978 4.578 1.00 0.00 C ATOM 504 O THR A 449 1.156 1.285 5.465 1.00 0.00 O ATOM 505 CB THR A 449 2.282 3.967 5.949 1.00 0.00 C ATOM 506 OG1 THR A 449 2.046 5.365 6.152 1.00 0.00 O ATOM 507 CG2 THR A 449 3.779 3.703 5.895 1.00 0.00 C ATOM 0 H THR A 449 -0.187 4.233 5.474 1.00 0.00 H new ATOM 0 HA THR A 449 2.126 3.921 3.797 1.00 0.00 H new ATOM 0 HB THR A 449 1.859 3.404 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.483 5.654 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.242 4.041 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.956 2.635 5.770 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.214 4.243 5.054 1.00 0.00 H new ATOM 515 N ILE A 450 2.269 1.464 3.518 1.00 0.00 N ATOM 516 CA ILE A 450 2.395 0.024 3.331 1.00 0.00 C ATOM 517 C ILE A 450 3.834 -0.365 3.011 1.00 0.00 C ATOM 518 O ILE A 450 4.714 0.490 2.921 1.00 0.00 O ATOM 519 CB ILE A 450 1.475 -0.480 2.203 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.960 0.042 0.849 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.038 -0.049 2.459 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.633 -0.880 -0.305 1.00 0.00 C ATOM 0 H ILE A 450 2.687 2.024 2.775 1.00 0.00 H new ATOM 0 HA ILE A 450 2.095 -0.443 4.269 1.00 0.00 H new ATOM 0 HB ILE A 450 1.509 -1.569 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.511 1.018 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.039 0.190 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.600 -0.413 1.653 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.303 -0.464 3.407 1.00 0.00 H new ATOM 0 HG23 ILE A 450 -0.014 1.039 2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 450 2.006 -0.447 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 450 2.104 -1.849 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.553 -1.009 -0.373 1.00 0.00 H new ATOM 534 N MET A 451 4.065 -1.662 2.837 1.00 0.00 N ATOM 535 CA MET A 451 5.398 -2.165 2.523 1.00 0.00 C ATOM 536 C MET A 451 5.344 -3.164 1.371 1.00 0.00 C ATOM 537 O MET A 451 4.774 -4.249 1.485 1.00 0.00 O ATOM 538 CB MET A 451 6.021 -2.823 3.755 1.00 0.00 C ATOM 539 CG MET A 451 7.309 -3.574 3.457 1.00 0.00 C ATOM 540 SD MET A 451 8.684 -2.472 3.075 1.00 0.00 S ATOM 541 CE MET A 451 9.448 -3.344 1.710 1.00 0.00 C ATOM 0 H MET A 451 3.347 -2.383 2.908 1.00 0.00 H new ATOM 0 HA MET A 451 6.016 -1.320 2.220 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.222 -2.057 4.504 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.300 -3.514 4.192 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.572 -4.192 4.316 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.145 -4.249 2.617 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.531 -3.243 1.774 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.179 -4.399 1.756 1.00 0.00 H new ATOM 0 HE3 MET A 451 9.099 -2.922 0.768 1.00 0.00 H new ATOM 551 N PRO A 452 5.952 -2.791 0.235 1.00 0.00 N ATOM 552 CA PRO A 452 5.987 -3.641 -0.959 1.00 0.00 C ATOM 553 C PRO A 452 6.874 -4.867 -0.772 1.00 0.00 C ATOM 554 O PRO A 452 7.788 -4.866 0.053 1.00 0.00 O ATOM 555 CB PRO A 452 6.570 -2.719 -2.034 1.00 0.00 C ATOM 556 CG PRO A 452 7.369 -1.714 -1.278 1.00 0.00 C ATOM 557 CD PRO A 452 6.652 -1.512 0.028 1.00 0.00 C ATOM 0 HA PRO A 452 5.002 -4.037 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.193 -3.273 -2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.782 -2.242 -2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.387 -2.068 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.443 -0.778 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.348 -1.299 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 452 5.955 -0.676 -0.022 1.00 0.00 H new ATOM 565 N LYS A 453 6.599 -5.913 -1.544 1.00 0.00 N ATOM 566 CA LYS A 453 7.373 -7.147 -1.465 1.00 0.00 C ATOM 567 C LYS A 453 8.406 -7.213 -2.585 1.00 0.00 C ATOM 568 O LYS A 453 8.133 -7.738 -3.665 1.00 0.00 O ATOM 569 CB LYS A 453 6.444 -8.361 -1.541 1.00 0.00 C ATOM 570 CG LYS A 453 5.560 -8.528 -0.317 1.00 0.00 C ATOM 571 CD LYS A 453 4.958 -9.921 -0.250 1.00 0.00 C ATOM 572 CE LYS A 453 4.440 -10.238 1.145 1.00 0.00 C ATOM 573 NZ LYS A 453 4.293 -11.704 1.362 1.00 0.00 N ATOM 0 H LYS A 453 5.846 -5.931 -2.232 1.00 0.00 H new ATOM 0 HA LYS A 453 7.898 -7.158 -0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.813 -8.270 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.046 -9.261 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.145 -8.340 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.762 -7.786 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 453 4.143 -10.001 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.709 -10.657 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.124 -9.828 1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 453 3.477 -9.750 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 3.938 -11.879 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.621 -12.092 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.217 -12.167 1.245 1.00 0.00 H new ATOM 587 N HIS A 454 9.594 -6.680 -2.320 1.00 0.00 N ATOM 588 CA HIS A 454 10.670 -6.681 -3.306 1.00 0.00 C ATOM 589 C HIS A 454 12.017 -6.417 -2.640 1.00 0.00 C ATOM 590 O HIS A 454 12.128 -5.565 -1.760 1.00 0.00 O ATOM 591 CB HIS A 454 10.405 -5.628 -4.382 1.00 0.00 C ATOM 592 CG HIS A 454 11.021 -5.957 -5.707 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.271 -6.526 -5.834 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.553 -5.794 -6.966 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.545 -6.698 -7.115 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.518 -6.263 -7.823 1.00 0.00 N ATOM 0 H HIS A 454 9.837 -6.242 -1.431 1.00 0.00 H new ATOM 0 HA HIS A 454 10.702 -7.666 -3.772 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.329 -5.514 -4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.789 -4.667 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.598 -5.373 -7.245 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.454 -7.122 -7.515 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.452 -6.274 -8.841 1.00 0.00 H new ATOM 604 N GLU A 455 13.037 -7.155 -3.067 1.00 0.00 N ATOM 605 CA GLU A 455 14.376 -7.001 -2.510 1.00 0.00 C ATOM 606 C GLU A 455 14.968 -5.645 -2.884 1.00 0.00 C ATOM 607 O GLU A 455 15.506 -4.935 -2.034 1.00 0.00 O ATOM 608 CB GLU A 455 15.291 -8.123 -3.005 1.00 0.00 C ATOM 609 CG GLU A 455 16.743 -7.952 -2.593 1.00 0.00 C ATOM 610 CD GLU A 455 17.708 -8.571 -3.584 1.00 0.00 C ATOM 611 OE1 GLU A 455 17.691 -9.811 -3.733 1.00 0.00 O ATOM 612 OE2 GLU A 455 18.480 -7.816 -4.212 1.00 0.00 O ATOM 0 H GLU A 455 12.962 -7.865 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 455 14.299 -7.058 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 455 14.924 -9.075 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 455 15.234 -8.173 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 455 16.965 -6.890 -2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 455 16.894 -8.405 -1.613 1.00 0.00 H new ATOM 619 N ASP A 456 14.865 -5.293 -4.161 1.00 0.00 N ATOM 620 CA ASP A 456 15.389 -4.023 -4.648 1.00 0.00 C ATOM 621 C ASP A 456 14.952 -2.872 -3.747 1.00 0.00 C ATOM 622 O ASP A 456 15.763 -2.029 -3.361 1.00 0.00 O ATOM 623 CB ASP A 456 14.920 -3.770 -6.082 1.00 0.00 C ATOM 624 CG ASP A 456 14.945 -2.299 -6.448 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.025 -1.801 -6.828 1.00 0.00 O ATOM 626 OD2 ASP A 456 13.885 -1.645 -6.354 1.00 0.00 O ATOM 0 H ASP A 456 14.423 -5.870 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 456 16.477 -4.078 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.556 -4.324 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 456 13.907 -4.154 -6.203 1.00 0.00 H new ATOM 631 N LEU A 457 13.666 -2.844 -3.414 1.00 0.00 N ATOM 632 CA LEU A 457 13.120 -1.796 -2.558 1.00 0.00 C ATOM 633 C LEU A 457 13.677 -1.905 -1.142 1.00 0.00 C ATOM 634 O LEU A 457 14.448 -1.053 -0.699 1.00 0.00 O ATOM 635 CB LEU A 457 11.593 -1.880 -2.526 1.00 0.00 C ATOM 636 CG LEU A 457 10.872 -1.485 -3.815 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.457 -2.042 -3.828 1.00 0.00 C ATOM 638 CD2 LEU A 457 10.853 0.028 -3.974 1.00 0.00 C ATOM 0 H LEU A 457 12.982 -3.535 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 457 13.416 -0.832 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.311 -2.902 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.231 -1.241 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 457 11.416 -1.912 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 457 8.960 -1.750 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.493 -3.129 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 457 8.902 -1.646 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 457 10.336 0.290 -4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 457 10.334 0.476 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 457 11.876 0.403 -4.012 1.00 0.00 H new ATOM 650 N LYS A 458 13.283 -2.960 -0.437 1.00 0.00 N ATOM 651 CA LYS A 458 13.744 -3.183 0.928 1.00 0.00 C ATOM 652 C LYS A 458 13.380 -2.005 1.826 1.00 0.00 C ATOM 653 O LYS A 458 14.153 -1.619 2.703 1.00 0.00 O ATOM 654 CB LYS A 458 15.258 -3.404 0.947 1.00 0.00 C ATOM 655 CG LYS A 458 15.664 -4.855 0.758 1.00 0.00 C ATOM 656 CD LYS A 458 15.706 -5.600 2.082 1.00 0.00 C ATOM 657 CE LYS A 458 16.951 -5.248 2.880 1.00 0.00 C ATOM 658 NZ LYS A 458 18.158 -5.951 2.364 1.00 0.00 N ATOM 0 H LYS A 458 12.645 -3.674 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 458 13.248 -4.075 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.714 -2.803 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.657 -3.045 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 458 14.960 -5.346 0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 458 16.644 -4.901 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 458 14.818 -5.357 2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 458 15.682 -6.674 1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.114 -4.171 2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 458 16.798 -5.510 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 18.972 -5.738 2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 17.987 -6.977 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 18.359 -5.630 1.395 1.00 0.00 H new ATOM 672 N ASP A 459 12.199 -1.439 1.601 1.00 0.00 N ATOM 673 CA ASP A 459 11.732 -0.306 2.391 1.00 0.00 C ATOM 674 C ASP A 459 10.229 -0.108 2.222 1.00 0.00 C ATOM 675 O ASP A 459 9.648 -0.522 1.220 1.00 0.00 O ATOM 676 CB ASP A 459 12.475 0.968 1.985 1.00 0.00 C ATOM 677 CG ASP A 459 12.485 2.009 3.087 1.00 0.00 C ATOM 678 OD1 ASP A 459 11.447 2.676 3.282 1.00 0.00 O ATOM 679 OD2 ASP A 459 13.530 2.157 3.754 1.00 0.00 O ATOM 0 H ASP A 459 11.548 -1.746 0.878 1.00 0.00 H new ATOM 0 HA ASP A 459 11.937 -0.518 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 459 13.501 0.717 1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.008 1.390 1.095 1.00 0.00 H new ATOM 684 N MET A 460 9.606 0.525 3.210 1.00 0.00 N ATOM 685 CA MET A 460 8.170 0.777 3.171 1.00 0.00 C ATOM 686 C MET A 460 7.869 2.101 2.475 1.00 0.00 C ATOM 687 O MET A 460 8.699 3.011 2.465 1.00 0.00 O ATOM 688 CB MET A 460 7.593 0.789 4.588 1.00 0.00 C ATOM 689 CG MET A 460 7.842 2.090 5.334 1.00 0.00 C ATOM 690 SD MET A 460 6.891 2.207 6.861 1.00 0.00 S ATOM 691 CE MET A 460 8.160 1.864 8.078 1.00 0.00 C ATOM 0 H MET A 460 10.073 0.873 4.048 1.00 0.00 H new ATOM 0 HA MET A 460 7.701 -0.027 2.603 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.519 0.609 4.536 1.00 0.00 H new ATOM 0 HB3 MET A 460 8.027 -0.034 5.155 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.904 2.175 5.564 1.00 0.00 H new ATOM 0 HG3 MET A 460 7.588 2.930 4.687 1.00 0.00 H new ATOM 0 HE1 MET A 460 7.725 1.900 9.077 1.00 0.00 H new ATOM 0 HE2 MET A 460 8.577 0.873 7.899 1.00 0.00 H new ATOM 0 HE3 MET A 460 8.951 2.610 7.999 1.00 0.00 H new ATOM 701 N LEU A 461 6.678 2.203 1.895 1.00 0.00 N ATOM 702 CA LEU A 461 6.268 3.416 1.197 1.00 0.00 C ATOM 703 C LEU A 461 4.865 3.840 1.620 1.00 0.00 C ATOM 704 O LEU A 461 4.224 3.173 2.431 1.00 0.00 O ATOM 705 CB LEU A 461 6.313 3.197 -0.316 1.00 0.00 C ATOM 706 CG LEU A 461 7.703 3.016 -0.928 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.219 1.609 -0.672 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.671 3.312 -2.420 1.00 0.00 C ATOM 0 H LEU A 461 5.979 1.460 1.894 1.00 0.00 H new ATOM 0 HA LEU A 461 6.964 4.212 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.716 2.316 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.833 4.047 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 461 8.384 3.722 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.209 1.498 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.280 1.434 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.538 0.885 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.668 3.178 -2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 461 6.977 2.630 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.345 4.340 -2.580 1.00 0.00 H new ATOM 720 N GLU A 462 4.395 4.951 1.062 1.00 0.00 N ATOM 721 CA GLU A 462 3.067 5.462 1.381 1.00 0.00 C ATOM 722 C GLU A 462 2.355 5.949 0.123 1.00 0.00 C ATOM 723 O GLU A 462 2.909 6.723 -0.658 1.00 0.00 O ATOM 724 CB GLU A 462 3.166 6.602 2.398 1.00 0.00 C ATOM 725 CG GLU A 462 4.065 6.286 3.581 1.00 0.00 C ATOM 726 CD GLU A 462 4.387 7.512 4.413 1.00 0.00 C ATOM 727 OE1 GLU A 462 3.448 8.266 4.745 1.00 0.00 O ATOM 728 OE2 GLU A 462 5.577 7.718 4.731 1.00 0.00 O ATOM 0 H GLU A 462 4.913 5.514 0.388 1.00 0.00 H new ATOM 0 HA GLU A 462 2.486 4.647 1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.541 7.494 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.167 6.838 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.581 5.541 4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.993 5.843 3.219 1.00 0.00 H new ATOM 735 N PHE A 463 1.122 5.490 -0.067 1.00 0.00 N ATOM 736 CA PHE A 463 0.334 5.877 -1.231 1.00 0.00 C ATOM 737 C PHE A 463 -1.118 6.138 -0.842 1.00 0.00 C ATOM 738 O PHE A 463 -1.643 5.571 0.117 1.00 0.00 O ATOM 739 CB PHE A 463 0.397 4.786 -2.302 1.00 0.00 C ATOM 740 CG PHE A 463 1.711 4.059 -2.340 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.832 4.655 -2.896 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.826 2.779 -1.821 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.042 3.989 -2.933 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.034 2.109 -1.854 1.00 0.00 C ATOM 745 CZ PHE A 463 4.143 2.714 -2.412 1.00 0.00 C ATOM 0 H PHE A 463 0.648 4.850 0.570 1.00 0.00 H new ATOM 0 HA PHE A 463 0.756 6.798 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.402 4.067 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.211 5.235 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.759 5.652 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 463 0.962 2.300 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.908 4.465 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.111 1.113 -1.444 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.087 2.191 -2.441 1.00 0.00 H new ATOM 755 N PRO A 464 -1.785 7.020 -1.602 1.00 0.00 N ATOM 756 CA PRO A 464 -3.185 7.378 -1.357 1.00 0.00 C ATOM 757 C PRO A 464 -4.140 6.233 -1.674 1.00 0.00 C ATOM 758 O PRO A 464 -3.830 5.359 -2.484 1.00 0.00 O ATOM 759 CB PRO A 464 -3.423 8.553 -2.309 1.00 0.00 C ATOM 760 CG PRO A 464 -2.430 8.361 -3.402 1.00 0.00 C ATOM 761 CD PRO A 464 -1.223 7.734 -2.761 1.00 0.00 C ATOM 0 HA PRO A 464 -3.367 7.617 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.442 8.550 -2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.276 9.508 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.832 7.720 -4.186 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -2.174 9.313 -3.868 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.713 7.054 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.494 8.485 -2.456 1.00 0.00 H new ATOM 769 N ALA A 465 -5.304 6.244 -1.032 1.00 0.00 N ATOM 770 CA ALA A 465 -6.306 5.207 -1.249 1.00 0.00 C ATOM 771 C ALA A 465 -6.624 5.053 -2.732 1.00 0.00 C ATOM 772 O ALA A 465 -7.016 3.977 -3.183 1.00 0.00 O ATOM 773 CB ALA A 465 -7.571 5.524 -0.465 1.00 0.00 C ATOM 0 H ALA A 465 -5.576 6.959 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.898 4.261 -0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.311 4.742 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.337 5.576 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.973 6.482 -0.795 1.00 0.00 H new ATOM 779 N GLN A 466 -6.454 6.135 -3.485 1.00 0.00 N ATOM 780 CA GLN A 466 -6.726 6.119 -4.917 1.00 0.00 C ATOM 781 C GLN A 466 -5.640 5.355 -5.668 1.00 0.00 C ATOM 782 O GLN A 466 -5.921 4.651 -6.637 1.00 0.00 O ATOM 783 CB GLN A 466 -6.826 7.548 -5.455 1.00 0.00 C ATOM 784 CG GLN A 466 -5.479 8.238 -5.603 1.00 0.00 C ATOM 785 CD GLN A 466 -5.557 9.492 -6.451 1.00 0.00 C ATOM 786 OE1 GLN A 466 -6.211 9.511 -7.494 1.00 0.00 O ATOM 787 NE2 GLN A 466 -4.887 10.549 -6.007 1.00 0.00 N ATOM 0 H GLN A 466 -6.129 7.033 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.678 5.612 -5.075 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.323 7.528 -6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.455 8.136 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.096 8.495 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.767 7.545 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -4.358 10.489 -5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -4.902 11.421 -6.536 1.00 0.00 H new ATOM 796 N GLU A 467 -4.399 5.501 -5.214 1.00 0.00 N ATOM 797 CA GLU A 467 -3.271 4.825 -5.845 1.00 0.00 C ATOM 798 C GLU A 467 -3.106 3.412 -5.294 1.00 0.00 C ATOM 799 O GLU A 467 -2.083 2.762 -5.516 1.00 0.00 O ATOM 800 CB GLU A 467 -1.984 5.623 -5.629 1.00 0.00 C ATOM 801 CG GLU A 467 -1.912 6.898 -6.452 1.00 0.00 C ATOM 802 CD GLU A 467 -1.952 6.632 -7.944 1.00 0.00 C ATOM 803 OE1 GLU A 467 -1.313 5.657 -8.391 1.00 0.00 O ATOM 804 OE2 GLU A 467 -2.624 7.399 -8.665 1.00 0.00 O ATOM 0 H GLU A 467 -4.149 6.081 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.472 4.758 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.897 5.877 -4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.130 4.992 -5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -2.743 7.549 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -0.995 7.433 -6.207 1.00 0.00 H new ATOM 811 N LEU A 468 -4.119 2.943 -4.574 1.00 0.00 N ATOM 812 CA LEU A 468 -4.087 1.606 -3.989 1.00 0.00 C ATOM 813 C LEU A 468 -5.426 0.900 -4.173 1.00 0.00 C ATOM 814 O LEU A 468 -6.483 1.476 -3.917 1.00 0.00 O ATOM 815 CB LEU A 468 -3.740 1.688 -2.501 1.00 0.00 C ATOM 816 CG LEU A 468 -2.254 1.815 -2.165 1.00 0.00 C ATOM 817 CD1 LEU A 468 -2.066 2.144 -0.691 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.513 0.536 -2.526 1.00 0.00 C ATOM 0 H LEU A 468 -4.972 3.468 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.319 1.028 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.263 2.543 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -4.129 0.797 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.837 2.631 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -1.002 2.231 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.562 3.087 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -2.499 1.350 -0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 468 -0.457 0.645 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.932 -0.298 -1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.618 0.343 -3.594 1.00 0.00 H new ATOM 830 N ARG A 469 -5.372 -0.352 -4.615 1.00 0.00 N ATOM 831 CA ARG A 469 -6.581 -1.138 -4.832 1.00 0.00 C ATOM 832 C ARG A 469 -6.362 -2.594 -4.431 1.00 0.00 C ATOM 833 O ARG A 469 -5.235 -3.092 -4.447 1.00 0.00 O ATOM 834 CB ARG A 469 -7.009 -1.061 -6.298 1.00 0.00 C ATOM 835 CG ARG A 469 -7.243 0.358 -6.790 1.00 0.00 C ATOM 836 CD ARG A 469 -8.614 0.871 -6.378 1.00 0.00 C ATOM 837 NE ARG A 469 -8.669 2.331 -6.357 1.00 0.00 N ATOM 838 CZ ARG A 469 -9.802 3.023 -6.314 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.967 2.392 -6.285 1.00 0.00 N ATOM 840 NH2 ARG A 469 -9.769 4.350 -6.298 1.00 0.00 N ATOM 0 H ARG A 469 -4.505 -0.844 -4.830 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.372 -0.722 -4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.243 -1.529 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.924 -1.638 -6.432 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.472 1.015 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.153 0.387 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.366 0.490 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -8.864 0.485 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 469 -7.789 2.847 -6.376 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.995 1.372 -6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.835 2.926 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -8.874 4.838 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -10.639 4.881 -6.265 1.00 0.00 H new