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=-0.76) USER MOD Single : A 425 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.31) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN :FLIP amide:sc= -2.04 F(o=-2.7!,f=-2) USER MOD Single : A 437 GLN : amide:sc=-0.00842 X(o=-0.0084,f=0) USER MOD Single : A 439 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.885) USER MOD Single : A 442 SER OG : rot 180:sc= -0.871 USER MOD Single : A 446 ASN : amide:sc= -0.413 K(o=-0.41,f=-1.8) 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 -125:sc= -0.167 (180deg=-0.691) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= -0.0267 K(o=-0.027,f=-1) USER MOD Single : A 458 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 460 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 466 GLN : amide:sc= -0.105 K(o=-0.1,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -10.315 1.730 5.573 1.00 0.00 N ATOM 67 CA PHE A 420 -9.540 0.536 5.258 1.00 0.00 C ATOM 68 C PHE A 420 -8.624 0.160 6.420 1.00 0.00 C ATOM 69 O PHE A 420 -8.164 1.025 7.165 1.00 0.00 O ATOM 70 CB PHE A 420 -8.710 0.760 3.992 1.00 0.00 C ATOM 71 CG PHE A 420 -9.537 0.844 2.741 1.00 0.00 C ATOM 72 CD1 PHE A 420 -10.163 -0.282 2.231 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.688 2.049 2.075 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.925 -0.208 1.080 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.449 2.130 0.924 1.00 0.00 C ATOM 76 CZ PHE A 420 -11.068 1.000 0.426 1.00 0.00 C ATOM 0 HA PHE A 420 -10.237 -0.284 5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -8.136 1.680 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -7.992 -0.053 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -10.054 -1.229 2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.206 2.935 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -11.408 -1.093 0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -10.560 3.076 0.415 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.663 1.061 -0.473 1.00 0.00 H new ATOM 86 N GLN A 421 -8.366 -1.135 6.567 1.00 0.00 N ATOM 87 CA GLN A 421 -7.507 -1.625 7.638 1.00 0.00 C ATOM 88 C GLN A 421 -6.263 -2.303 7.072 1.00 0.00 C ATOM 89 O GLN A 421 -6.307 -2.973 6.040 1.00 0.00 O ATOM 90 CB GLN A 421 -8.274 -2.604 8.529 1.00 0.00 C ATOM 91 CG GLN A 421 -9.560 -2.027 9.099 1.00 0.00 C ATOM 92 CD GLN A 421 -10.347 -3.041 9.906 1.00 0.00 C ATOM 93 OE1 GLN A 421 -9.816 -4.076 10.310 1.00 0.00 O ATOM 94 NE2 GLN A 421 -11.619 -2.748 10.146 1.00 0.00 N ATOM 0 H GLN A 421 -8.739 -1.864 5.958 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.192 -0.770 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.511 -3.498 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.630 -2.916 9.351 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.321 -1.172 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -10.181 -1.657 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -12.018 -1.879 9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -12.198 -3.392 10.685 1.00 0.00 H new ATOM 103 N PRO A 422 -5.126 -2.126 7.761 1.00 0.00 N ATOM 104 CA PRO A 422 -3.849 -2.713 7.345 1.00 0.00 C ATOM 105 C PRO A 422 -3.827 -4.229 7.508 1.00 0.00 C ATOM 106 O PRO A 422 -4.608 -4.792 8.274 1.00 0.00 O ATOM 107 CB PRO A 422 -2.835 -2.059 8.287 1.00 0.00 C ATOM 108 CG PRO A 422 -3.624 -1.689 9.495 1.00 0.00 C ATOM 109 CD PRO A 422 -5.000 -1.340 9.000 1.00 0.00 C ATOM 0 HA PRO A 422 -3.645 -2.538 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.027 -2.746 8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.378 -1.182 7.829 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.663 -2.516 10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.170 -0.845 10.014 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.768 -1.608 9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -5.100 -0.271 8.810 1.00 0.00 H new ATOM 117 N GLY A 423 -2.927 -4.885 6.782 1.00 0.00 N ATOM 118 CA GLY A 423 -2.820 -6.330 6.861 1.00 0.00 C ATOM 119 C GLY A 423 -3.281 -7.016 5.590 1.00 0.00 C ATOM 120 O GLY A 423 -2.861 -8.135 5.294 1.00 0.00 O ATOM 0 H GLY A 423 -2.270 -4.441 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.785 -6.604 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.415 -6.690 7.701 1.00 0.00 H new ATOM 124 N ASP A 424 -4.147 -6.345 4.838 1.00 0.00 N ATOM 125 CA ASP A 424 -4.665 -6.898 3.592 1.00 0.00 C ATOM 126 C ASP A 424 -3.667 -6.703 2.455 1.00 0.00 C ATOM 127 O ASP A 424 -2.778 -5.857 2.534 1.00 0.00 O ATOM 128 CB ASP A 424 -5.999 -6.240 3.235 1.00 0.00 C ATOM 129 CG ASP A 424 -7.127 -6.687 4.144 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.103 -7.854 4.590 1.00 0.00 O ATOM 131 OD2 ASP A 424 -8.033 -5.871 4.410 1.00 0.00 O ATOM 0 H ASP A 424 -4.505 -5.418 5.069 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.822 -7.967 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.894 -5.157 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.253 -6.478 2.202 1.00 0.00 H new ATOM 136 N ASN A 425 -3.821 -7.495 1.398 1.00 0.00 N ATOM 137 CA ASN A 425 -2.932 -7.411 0.245 1.00 0.00 C ATOM 138 C ASN A 425 -3.522 -6.507 -0.833 1.00 0.00 C ATOM 139 O ASN A 425 -4.611 -6.765 -1.347 1.00 0.00 O ATOM 140 CB ASN A 425 -2.674 -8.806 -0.329 1.00 0.00 C ATOM 141 CG ASN A 425 -3.886 -9.710 -0.218 1.00 0.00 C ATOM 142 OD1 ASN A 425 -4.773 -9.684 -1.072 1.00 0.00 O ATOM 143 ND2 ASN A 425 -3.930 -10.514 0.837 1.00 0.00 N ATOM 0 H ASN A 425 -4.552 -8.201 1.317 1.00 0.00 H new ATOM 0 HA ASN A 425 -1.987 -6.981 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.385 -8.717 -1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -1.835 -9.262 0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -4.722 -11.144 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.172 -10.502 1.520 1.00 0.00 H new ATOM 150 N VAL A 426 -2.797 -5.445 -1.170 1.00 0.00 N ATOM 151 CA VAL A 426 -3.247 -4.504 -2.188 1.00 0.00 C ATOM 152 C VAL A 426 -2.171 -4.279 -3.244 1.00 0.00 C ATOM 153 O VAL A 426 -1.027 -4.702 -3.078 1.00 0.00 O ATOM 154 CB VAL A 426 -3.632 -3.148 -1.567 1.00 0.00 C ATOM 155 CG1 VAL A 426 -5.011 -3.224 -0.929 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.588 -2.713 -0.549 1.00 0.00 C ATOM 0 H VAL A 426 -1.895 -5.215 -0.752 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.127 -4.944 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.666 -2.402 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.265 -2.257 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.749 -3.487 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -5.008 -3.983 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.876 -1.753 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.520 -3.459 0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.620 -2.615 -1.040 1.00 0.00 H new ATOM 166 N GLU A 427 -2.546 -3.611 -4.330 1.00 0.00 N ATOM 167 CA GLU A 427 -1.611 -3.331 -5.414 1.00 0.00 C ATOM 168 C GLU A 427 -1.856 -1.943 -5.999 1.00 0.00 C ATOM 169 O GLU A 427 -2.884 -1.319 -5.736 1.00 0.00 O ATOM 170 CB GLU A 427 -1.739 -4.389 -6.513 1.00 0.00 C ATOM 171 CG GLU A 427 -0.815 -4.152 -7.696 1.00 0.00 C ATOM 172 CD GLU A 427 -0.814 -5.308 -8.677 1.00 0.00 C ATOM 173 OE1 GLU A 427 -0.391 -6.416 -8.286 1.00 0.00 O ATOM 174 OE2 GLU A 427 -1.237 -5.105 -9.834 1.00 0.00 O ATOM 0 H GLU A 427 -3.489 -3.254 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.601 -3.361 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.527 -5.370 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.770 -4.411 -6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -1.119 -3.242 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.199 -3.988 -7.333 1.00 0.00 H new ATOM 181 N VAL A 428 -0.903 -1.465 -6.793 1.00 0.00 N ATOM 182 CA VAL A 428 -1.015 -0.151 -7.416 1.00 0.00 C ATOM 183 C VAL A 428 -1.857 -0.214 -8.685 1.00 0.00 C ATOM 184 O VAL A 428 -1.566 -0.988 -9.597 1.00 0.00 O ATOM 185 CB VAL A 428 0.371 0.426 -7.760 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.231 1.754 -8.487 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.210 0.584 -6.501 1.00 0.00 C ATOM 0 H VAL A 428 -0.045 -1.968 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.503 0.502 -6.693 1.00 0.00 H new ATOM 0 HB VAL A 428 0.881 -0.272 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.220 2.146 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -0.329 1.606 -9.410 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.299 2.463 -7.851 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.186 0.993 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.706 1.261 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.340 -0.388 -6.026 1.00 0.00 H new ATOM 197 N CYS A 429 -2.901 0.605 -8.737 1.00 0.00 N ATOM 198 CA CYS A 429 -3.787 0.643 -9.895 1.00 0.00 C ATOM 199 C CYS A 429 -3.206 1.527 -10.994 1.00 0.00 C ATOM 200 O CYS A 429 -3.180 1.142 -12.163 1.00 0.00 O ATOM 201 CB CYS A 429 -5.169 1.155 -9.489 1.00 0.00 C ATOM 202 SG CYS A 429 -6.336 1.297 -10.863 1.00 0.00 S ATOM 0 H CYS A 429 -3.155 1.252 -7.991 1.00 0.00 H new ATOM 0 HA CYS A 429 -3.883 -0.371 -10.282 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -5.587 0.484 -8.739 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -5.059 2.131 -9.017 1.00 0.00 H new ATOM 0 HG CYS A 429 -7.477 1.736 -10.420 1.00 0.00 H new ATOM 208 N GLU A 430 -2.744 2.712 -10.611 1.00 0.00 N ATOM 209 CA GLU A 430 -2.166 3.651 -11.566 1.00 0.00 C ATOM 210 C GLU A 430 -0.885 4.269 -11.014 1.00 0.00 C ATOM 211 O GLU A 430 -0.573 4.127 -9.833 1.00 0.00 O ATOM 212 CB GLU A 430 -3.173 4.753 -11.904 1.00 0.00 C ATOM 213 CG GLU A 430 -2.805 5.555 -13.141 1.00 0.00 C ATOM 214 CD GLU A 430 -2.408 4.674 -14.310 1.00 0.00 C ATOM 215 OE1 GLU A 430 -3.273 3.923 -14.808 1.00 0.00 O ATOM 216 OE2 GLU A 430 -1.233 4.737 -14.727 1.00 0.00 O ATOM 0 H GLU A 430 -2.758 3.045 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.921 3.101 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -4.155 4.303 -12.052 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -3.257 5.430 -11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -3.651 6.178 -13.431 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.982 6.228 -12.902 1.00 0.00 H new ATOM 223 N GLY A 431 -0.145 4.956 -11.880 1.00 0.00 N ATOM 224 CA GLY A 431 1.094 5.585 -11.462 1.00 0.00 C ATOM 225 C GLY A 431 2.317 4.804 -11.900 1.00 0.00 C ATOM 226 O GLY A 431 2.199 3.697 -12.426 1.00 0.00 O ATOM 0 H GLY A 431 -0.382 5.088 -12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 431 1.143 6.593 -11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.099 5.684 -10.377 1.00 0.00 H new ATOM 230 N GLU A 432 3.495 5.382 -11.685 1.00 0.00 N ATOM 231 CA GLU A 432 4.744 4.732 -12.065 1.00 0.00 C ATOM 232 C GLU A 432 5.001 3.501 -11.201 1.00 0.00 C ATOM 233 O GLU A 432 5.858 2.674 -11.518 1.00 0.00 O ATOM 234 CB GLU A 432 5.913 5.712 -11.937 1.00 0.00 C ATOM 235 CG GLU A 432 6.514 5.763 -10.543 1.00 0.00 C ATOM 236 CD GLU A 432 7.703 6.701 -10.454 1.00 0.00 C ATOM 237 OE1 GLU A 432 7.488 7.931 -10.427 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.848 6.204 -10.411 1.00 0.00 O ATOM 0 H GLU A 432 3.610 6.298 -11.250 1.00 0.00 H new ATOM 0 HA GLU A 432 4.658 4.414 -13.104 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.690 5.433 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 432 5.572 6.710 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 432 5.750 6.082 -9.834 1.00 0.00 H new ATOM 0 HG3 GLU A 432 6.824 4.760 -10.248 1.00 0.00 H new ATOM 245 N LEU A 433 4.255 3.386 -10.108 1.00 0.00 N ATOM 246 CA LEU A 433 4.402 2.256 -9.197 1.00 0.00 C ATOM 247 C LEU A 433 3.450 1.125 -9.575 1.00 0.00 C ATOM 248 O LEU A 433 3.463 0.059 -8.959 1.00 0.00 O ATOM 249 CB LEU A 433 4.139 2.699 -7.757 1.00 0.00 C ATOM 250 CG LEU A 433 4.874 3.959 -7.298 1.00 0.00 C ATOM 251 CD1 LEU A 433 4.360 4.412 -5.941 1.00 0.00 C ATOM 252 CD2 LEU A 433 6.375 3.712 -7.247 1.00 0.00 C ATOM 0 H LEU A 433 3.542 4.061 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 433 5.425 1.888 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 433 3.068 2.864 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 433 4.411 1.881 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 433 4.681 4.753 -8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 433 4.895 5.310 -5.631 1.00 0.00 H new ATOM 0 HD12 LEU A 433 3.294 4.630 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 433 4.522 3.622 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A 433 6.882 4.619 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 433 6.587 2.904 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 433 6.732 3.436 -8.239 1.00 0.00 H new ATOM 264 N ILE A 434 2.628 1.365 -10.591 1.00 0.00 N ATOM 265 CA ILE A 434 1.672 0.365 -11.052 1.00 0.00 C ATOM 266 C ILE A 434 2.300 -1.024 -11.080 1.00 0.00 C ATOM 267 O ILE A 434 3.518 -1.164 -11.190 1.00 0.00 O ATOM 268 CB ILE A 434 1.138 0.703 -12.457 1.00 0.00 C ATOM 269 CG1 ILE A 434 -0.104 -0.133 -12.768 1.00 0.00 C ATOM 270 CG2 ILE A 434 2.217 0.469 -13.504 1.00 0.00 C ATOM 271 CD1 ILE A 434 -0.886 0.368 -13.962 1.00 0.00 C ATOM 0 H ILE A 434 2.605 2.242 -11.110 1.00 0.00 H new ATOM 0 HA ILE A 434 0.842 0.372 -10.345 1.00 0.00 H new ATOM 0 HB ILE A 434 0.859 1.756 -12.480 1.00 0.00 H new ATOM 0 HG12 ILE A 434 0.198 -1.165 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE A 434 -0.755 -0.140 -11.894 1.00 0.00 H new ATOM 0 HG21 ILE A 434 1.825 0.712 -14.491 1.00 0.00 H new ATOM 0 HG22 ILE A 434 3.077 1.104 -13.289 1.00 0.00 H new ATOM 0 HG23 ILE A 434 2.524 -0.577 -13.483 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -1.753 -0.272 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 434 -1.219 1.389 -13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 434 -0.250 0.349 -14.847 1.00 0.00 H new ATOM 283 N ASN A 435 1.460 -2.049 -10.981 1.00 0.00 N ATOM 284 CA ASN A 435 1.933 -3.429 -10.996 1.00 0.00 C ATOM 285 C ASN A 435 2.776 -3.728 -9.761 1.00 0.00 C ATOM 286 O ASN A 435 3.636 -4.611 -9.781 1.00 0.00 O ATOM 287 CB ASN A 435 2.750 -3.696 -12.262 1.00 0.00 C ATOM 288 CG ASN A 435 2.053 -3.202 -13.515 1.00 0.00 C ATOM 289 OD1 ASN A 435 0.731 -3.323 -13.544 1.00 0.00 O flip ATOM 290 ND2 ASN A 435 2.696 -2.716 -14.446 1.00 0.00 N flip ATOM 0 H ASN A 435 0.449 -1.951 -10.890 1.00 0.00 H new ATOM 0 HA ASN A 435 1.063 -4.086 -10.988 1.00 0.00 H new ATOM 0 HB2 ASN A 435 3.721 -3.209 -12.174 1.00 0.00 H new ATOM 0 HB3 ASN A 435 2.937 -4.766 -12.351 1.00 0.00 H new ATOM 0 HD21 ASN A 435 3.711 -2.642 -14.381 1.00 0.00 H new ATOM 0 HD22 ASN A 435 2.213 -2.387 -15.282 1.00 0.00 H new ATOM 297 N LEU A 436 2.525 -2.989 -8.686 1.00 0.00 N ATOM 298 CA LEU A 436 3.260 -3.175 -7.440 1.00 0.00 C ATOM 299 C LEU A 436 2.346 -3.710 -6.343 1.00 0.00 C ATOM 300 O LEU A 436 1.478 -2.995 -5.842 1.00 0.00 O ATOM 301 CB LEU A 436 3.891 -1.855 -6.995 1.00 0.00 C ATOM 302 CG LEU A 436 4.695 -1.900 -5.695 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.006 -2.643 -5.903 1.00 0.00 C ATOM 304 CD2 LEU A 436 4.955 -0.492 -5.180 1.00 0.00 C ATOM 0 H LEU A 436 1.818 -2.255 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 436 4.049 -3.906 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.546 -1.502 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.098 -1.116 -6.883 1.00 0.00 H new ATOM 0 HG LEU A 436 4.111 -2.437 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 436 6.564 -2.665 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 436 5.799 -3.663 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 436 6.596 -2.134 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 436 5.528 -0.543 -4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.518 0.070 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.005 0.008 -4.991 1.00 0.00 H new ATOM 316 N GLN A 437 2.547 -4.971 -5.974 1.00 0.00 N ATOM 317 CA GLN A 437 1.741 -5.600 -4.934 1.00 0.00 C ATOM 318 C GLN A 437 2.479 -5.602 -3.600 1.00 0.00 C ATOM 319 O GLN A 437 3.703 -5.485 -3.555 1.00 0.00 O ATOM 320 CB GLN A 437 1.382 -7.032 -5.335 1.00 0.00 C ATOM 321 CG GLN A 437 2.587 -7.876 -5.720 1.00 0.00 C ATOM 322 CD GLN A 437 2.243 -9.343 -5.885 1.00 0.00 C ATOM 323 OE1 GLN A 437 2.329 -9.893 -6.983 1.00 0.00 O ATOM 324 NE2 GLN A 437 1.850 -9.986 -4.791 1.00 0.00 N ATOM 0 H GLN A 437 3.260 -5.577 -6.379 1.00 0.00 H new ATOM 0 HA GLN A 437 0.824 -5.022 -4.819 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.862 -7.513 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.687 -7.002 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 437 3.008 -7.498 -6.652 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.358 -7.771 -4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 437 1.793 -9.491 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN A 437 1.605 -10.975 -4.841 1.00 0.00 H new ATOM 333 N GLY A 438 1.726 -5.737 -2.512 1.00 0.00 N ATOM 334 CA GLY A 438 2.326 -5.752 -1.191 1.00 0.00 C ATOM 335 C GLY A 438 1.290 -5.782 -0.084 1.00 0.00 C ATOM 336 O GLY A 438 0.089 -5.726 -0.346 1.00 0.00 O ATOM 0 H GLY A 438 0.711 -5.836 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.976 -6.623 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.956 -4.870 -1.071 1.00 0.00 H new ATOM 340 N LYS A 439 1.756 -5.871 1.157 1.00 0.00 N ATOM 341 CA LYS A 439 0.863 -5.909 2.309 1.00 0.00 C ATOM 342 C LYS A 439 0.751 -4.532 2.956 1.00 0.00 C ATOM 343 O LYS A 439 1.708 -3.758 2.958 1.00 0.00 O ATOM 344 CB LYS A 439 1.363 -6.928 3.335 1.00 0.00 C ATOM 345 CG LYS A 439 0.802 -8.324 3.130 1.00 0.00 C ATOM 346 CD LYS A 439 1.628 -9.370 3.859 1.00 0.00 C ATOM 347 CE LYS A 439 1.147 -9.563 5.289 1.00 0.00 C ATOM 348 NZ LYS A 439 1.652 -8.493 6.193 1.00 0.00 N ATOM 0 H LYS A 439 2.748 -5.918 1.391 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.126 -6.209 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.451 -6.973 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 439 1.100 -6.583 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.228 -8.359 3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.779 -8.555 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.571 -10.318 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.676 -9.069 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 439 0.057 -9.570 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 439 1.478 -10.535 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 1.746 -8.870 7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 2.580 -8.164 5.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.983 -7.697 6.196 1.00 0.00 H new ATOM 362 N ILE A 440 -0.422 -4.236 3.506 1.00 0.00 N ATOM 363 CA ILE A 440 -0.656 -2.953 4.158 1.00 0.00 C ATOM 364 C ILE A 440 -0.240 -2.999 5.624 1.00 0.00 C ATOM 365 O ILE A 440 -0.599 -3.923 6.355 1.00 0.00 O ATOM 366 CB ILE A 440 -2.137 -2.539 4.069 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.639 -2.667 2.629 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.320 -1.116 4.574 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.138 -2.510 2.496 1.00 0.00 C ATOM 0 H ILE A 440 -1.224 -4.866 3.513 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.049 -2.216 3.633 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.724 -3.206 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.147 -1.915 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.347 -3.641 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.372 -0.838 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -1.996 -1.054 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.724 -0.435 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.423 -2.612 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.638 -3.279 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.434 -1.526 2.858 1.00 0.00 H new ATOM 381 N LEU A 441 0.517 -1.994 6.050 1.00 0.00 N ATOM 382 CA LEU A 441 0.981 -1.917 7.431 1.00 0.00 C ATOM 383 C LEU A 441 0.032 -1.076 8.278 1.00 0.00 C ATOM 384 O LEU A 441 -0.434 -1.516 9.329 1.00 0.00 O ATOM 385 CB LEU A 441 2.391 -1.325 7.484 1.00 0.00 C ATOM 386 CG LEU A 441 3.497 -2.166 6.846 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.794 -1.377 6.775 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.698 -3.459 7.624 1.00 0.00 C ATOM 0 H LEU A 441 0.823 -1.221 5.459 1.00 0.00 H new ATOM 0 HA LEU A 441 1.003 -2.928 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.373 -0.352 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.651 -1.151 8.528 1.00 0.00 H new ATOM 0 HG LEU A 441 3.195 -2.419 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.569 -1.992 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.642 -0.480 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 441 5.102 -1.093 7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 441 4.489 -4.046 7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.978 -3.226 8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.771 -4.033 7.622 1.00 0.00 H new ATOM 400 N SER A 442 -0.252 0.137 7.813 1.00 0.00 N ATOM 401 CA SER A 442 -1.145 1.040 8.529 1.00 0.00 C ATOM 402 C SER A 442 -1.971 1.873 7.553 1.00 0.00 C ATOM 403 O SER A 442 -1.656 1.954 6.366 1.00 0.00 O ATOM 404 CB SER A 442 -0.342 1.961 9.450 1.00 0.00 C ATOM 405 OG SER A 442 0.453 2.864 8.702 1.00 0.00 O ATOM 0 H SER A 442 0.124 0.516 6.944 1.00 0.00 H new ATOM 0 HA SER A 442 -1.825 0.438 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 442 -1.022 2.518 10.095 1.00 0.00 H new ATOM 0 HB3 SER A 442 0.296 1.363 10.101 1.00 0.00 H new ATOM 0 HG SER A 442 0.955 3.442 9.314 1.00 0.00 H new ATOM 411 N VAL A 443 -3.031 2.492 8.064 1.00 0.00 N ATOM 412 CA VAL A 443 -3.903 3.321 7.240 1.00 0.00 C ATOM 413 C VAL A 443 -4.111 4.694 7.868 1.00 0.00 C ATOM 414 O VAL A 443 -4.724 4.816 8.929 1.00 0.00 O ATOM 415 CB VAL A 443 -5.274 2.653 7.026 1.00 0.00 C ATOM 416 CG1 VAL A 443 -6.282 3.660 6.493 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.147 1.464 6.085 1.00 0.00 C ATOM 0 H VAL A 443 -3.306 2.435 9.044 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.409 3.438 6.275 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.635 2.289 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -7.245 3.169 6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.394 4.476 7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.930 4.058 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.125 1.004 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.764 1.801 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.461 0.733 6.513 1.00 0.00 H new ATOM 427 N ASP A 444 -3.598 5.725 7.207 1.00 0.00 N ATOM 428 CA ASP A 444 -3.729 7.091 7.699 1.00 0.00 C ATOM 429 C ASP A 444 -4.525 7.948 6.720 1.00 0.00 C ATOM 430 O ASP A 444 -3.986 8.441 5.730 1.00 0.00 O ATOM 431 CB ASP A 444 -2.348 7.708 7.929 1.00 0.00 C ATOM 432 CG ASP A 444 -2.353 8.741 9.039 1.00 0.00 C ATOM 433 OD1 ASP A 444 -2.998 8.492 10.078 1.00 0.00 O ATOM 434 OD2 ASP A 444 -1.711 9.799 8.868 1.00 0.00 O ATOM 0 H ASP A 444 -3.087 5.641 6.328 1.00 0.00 H new ATOM 0 HA ASP A 444 -4.267 7.059 8.646 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.637 6.919 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -2.003 8.173 7.006 1.00 0.00 H new ATOM 439 N GLY A 445 -5.813 8.121 7.004 1.00 0.00 N ATOM 440 CA GLY A 445 -6.663 8.917 6.138 1.00 0.00 C ATOM 441 C GLY A 445 -6.475 8.581 4.672 1.00 0.00 C ATOM 442 O GLY A 445 -6.780 7.470 4.239 1.00 0.00 O ATOM 0 H GLY A 445 -6.282 7.724 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.706 8.759 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.449 9.974 6.296 1.00 0.00 H new ATOM 446 N ASN A 446 -5.972 9.543 3.906 1.00 0.00 N ATOM 447 CA ASN A 446 -5.746 9.344 2.479 1.00 0.00 C ATOM 448 C ASN A 446 -4.412 8.647 2.232 1.00 0.00 C ATOM 449 O ASN A 446 -4.248 7.928 1.245 1.00 0.00 O ATOM 450 CB ASN A 446 -5.777 10.686 1.745 1.00 0.00 C ATOM 451 CG ASN A 446 -6.855 11.611 2.276 1.00 0.00 C ATOM 452 OD1 ASN A 446 -7.815 11.167 2.905 1.00 0.00 O ATOM 453 ND2 ASN A 446 -6.700 12.906 2.023 1.00 0.00 N ATOM 0 H ASN A 446 -5.713 10.468 4.249 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.544 8.709 2.095 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -4.806 11.172 1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -5.943 10.512 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -7.393 13.577 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -5.888 13.229 1.497 1.00 0.00 H new ATOM 460 N LYS A 447 -3.461 8.863 3.134 1.00 0.00 N ATOM 461 CA LYS A 447 -2.142 8.255 3.017 1.00 0.00 C ATOM 462 C LYS A 447 -2.112 6.885 3.686 1.00 0.00 C ATOM 463 O LYS A 447 -2.454 6.751 4.861 1.00 0.00 O ATOM 464 CB LYS A 447 -1.081 9.163 3.643 1.00 0.00 C ATOM 465 CG LYS A 447 -0.753 10.385 2.803 1.00 0.00 C ATOM 466 CD LYS A 447 0.680 10.841 3.018 1.00 0.00 C ATOM 467 CE LYS A 447 1.659 10.001 2.211 1.00 0.00 C ATOM 468 NZ LYS A 447 1.764 10.472 0.802 1.00 0.00 N ATOM 0 H LYS A 447 -3.580 9.456 3.955 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.922 8.127 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.427 9.489 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.170 8.587 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.908 10.155 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.436 11.196 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.776 11.889 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.929 10.775 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 447 2.642 10.038 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.339 8.959 2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 2.440 9.874 0.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.831 10.413 0.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 2.094 11.458 0.789 1.00 0.00 H new ATOM 482 N ILE A 448 -1.702 5.871 2.931 1.00 0.00 N ATOM 483 CA ILE A 448 -1.626 4.512 3.454 1.00 0.00 C ATOM 484 C ILE A 448 -0.187 4.008 3.465 1.00 0.00 C ATOM 485 O ILE A 448 0.414 3.784 2.414 1.00 0.00 O ATOM 486 CB ILE A 448 -2.491 3.543 2.627 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.766 4.243 2.150 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.834 2.308 3.448 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.755 4.521 3.260 1.00 0.00 C ATOM 0 H ILE A 448 -1.418 5.965 1.956 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.005 4.544 4.475 1.00 0.00 H new ATOM 0 HB ILE A 448 -1.923 3.228 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.496 5.184 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.248 3.626 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.446 1.632 2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.916 1.801 3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.387 2.605 4.339 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.633 5.018 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.054 3.581 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.291 5.164 4.008 1.00 0.00 H new ATOM 501 N THR A 449 0.361 3.828 4.663 1.00 0.00 N ATOM 502 CA THR A 449 1.730 3.349 4.813 1.00 0.00 C ATOM 503 C THR A 449 1.796 1.830 4.696 1.00 0.00 C ATOM 504 O THR A 449 1.338 1.110 5.584 1.00 0.00 O ATOM 505 CB THR A 449 2.329 3.775 6.166 1.00 0.00 C ATOM 506 OG1 THR A 449 2.117 5.175 6.377 1.00 0.00 O ATOM 507 CG2 THR A 449 3.818 3.469 6.219 1.00 0.00 C ATOM 0 H THR A 449 -0.122 4.007 5.543 1.00 0.00 H new ATOM 0 HA THR A 449 2.313 3.799 4.009 1.00 0.00 H new ATOM 0 HB THR A 449 1.830 3.210 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.499 5.437 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.219 3.779 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.974 2.398 6.088 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.329 4.010 5.423 1.00 0.00 H new ATOM 515 N ILE A 450 2.370 1.350 3.598 1.00 0.00 N ATOM 516 CA ILE A 450 2.497 -0.083 3.368 1.00 0.00 C ATOM 517 C ILE A 450 3.937 -0.461 3.037 1.00 0.00 C ATOM 518 O ILE A 450 4.814 0.400 2.965 1.00 0.00 O ATOM 519 CB ILE A 450 1.580 -0.553 2.224 1.00 0.00 C ATOM 520 CG1 ILE A 450 2.071 0.002 0.885 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.144 -0.124 2.486 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.589 -0.789 -0.311 1.00 0.00 C ATOM 0 H ILE A 450 2.754 1.933 2.854 1.00 0.00 H new ATOM 0 HA ILE A 450 2.196 -0.578 4.291 1.00 0.00 H new ATOM 0 HB ILE A 450 1.611 -1.642 2.178 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.738 1.035 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.161 0.017 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.492 -0.464 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.202 -0.563 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.096 0.963 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.976 -0.338 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.944 -1.817 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.499 -0.783 -0.336 1.00 0.00 H new ATOM 534 N MET A 451 4.173 -1.753 2.836 1.00 0.00 N ATOM 535 CA MET A 451 5.507 -2.245 2.509 1.00 0.00 C ATOM 536 C MET A 451 5.461 -3.184 1.309 1.00 0.00 C ATOM 537 O MET A 451 4.867 -4.262 1.356 1.00 0.00 O ATOM 538 CB MET A 451 6.117 -2.965 3.713 1.00 0.00 C ATOM 539 CG MET A 451 7.424 -3.674 3.398 1.00 0.00 C ATOM 540 SD MET A 451 8.861 -2.605 3.605 1.00 0.00 S ATOM 541 CE MET A 451 9.918 -3.200 2.288 1.00 0.00 C ATOM 0 H MET A 451 3.458 -2.478 2.894 1.00 0.00 H new ATOM 0 HA MET A 451 6.131 -1.389 2.253 1.00 0.00 H new ATOM 0 HB2 MET A 451 6.288 -2.242 4.510 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.400 -3.693 4.092 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.527 -4.544 4.047 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.395 -4.043 2.373 1.00 0.00 H new ATOM 0 HE1 MET A 451 10.885 -3.488 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.455 -4.064 1.812 1.00 0.00 H new ATOM 0 HE3 MET A 451 10.059 -2.411 1.550 1.00 0.00 H new ATOM 551 N PRO A 452 6.102 -2.769 0.206 1.00 0.00 N ATOM 552 CA PRO A 452 6.149 -3.560 -1.027 1.00 0.00 C ATOM 553 C PRO A 452 7.007 -4.812 -0.881 1.00 0.00 C ATOM 554 O PRO A 452 7.927 -4.854 -0.064 1.00 0.00 O ATOM 555 CB PRO A 452 6.773 -2.598 -2.042 1.00 0.00 C ATOM 556 CG PRO A 452 7.574 -1.648 -1.219 1.00 0.00 C ATOM 557 CD PRO A 452 6.831 -1.496 0.079 1.00 0.00 C ATOM 0 HA PRO A 452 5.163 -3.924 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.401 -3.129 -2.757 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.007 -2.076 -2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.580 -2.031 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.679 -0.687 -1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.512 -1.338 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 452 6.151 -0.644 0.056 1.00 0.00 H new ATOM 565 N LYS A 453 6.701 -5.830 -1.678 1.00 0.00 N ATOM 566 CA LYS A 453 7.445 -7.083 -1.640 1.00 0.00 C ATOM 567 C LYS A 453 8.560 -7.086 -2.681 1.00 0.00 C ATOM 568 O LYS A 453 8.415 -7.665 -3.758 1.00 0.00 O ATOM 569 CB LYS A 453 6.505 -8.266 -1.880 1.00 0.00 C ATOM 570 CG LYS A 453 5.533 -8.512 -0.739 1.00 0.00 C ATOM 571 CD LYS A 453 6.234 -9.103 0.473 1.00 0.00 C ATOM 572 CE LYS A 453 6.579 -10.569 0.257 1.00 0.00 C ATOM 573 NZ LYS A 453 7.498 -11.083 1.310 1.00 0.00 N ATOM 0 H LYS A 453 5.942 -5.812 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 453 7.895 -7.179 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.940 -8.091 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.100 -9.165 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.052 -7.574 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.745 -9.188 -1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.145 -8.540 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 453 5.594 -9.004 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.664 -11.161 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.043 -10.693 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.709 -12.085 1.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.382 -10.535 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.046 -10.989 2.242 1.00 0.00 H new ATOM 587 N HIS A 454 9.673 -6.437 -2.353 1.00 0.00 N ATOM 588 CA HIS A 454 10.813 -6.367 -3.259 1.00 0.00 C ATOM 589 C HIS A 454 12.115 -6.196 -2.483 1.00 0.00 C ATOM 590 O HIS A 454 12.297 -5.211 -1.768 1.00 0.00 O ATOM 591 CB HIS A 454 10.638 -5.212 -4.245 1.00 0.00 C ATOM 592 CG HIS A 454 11.343 -5.424 -5.549 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.583 -6.021 -5.646 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.975 -5.118 -6.815 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.948 -6.070 -6.914 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.989 -5.529 -7.645 1.00 0.00 N ATOM 0 H HIS A 454 9.809 -5.952 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 454 10.862 -7.304 -3.814 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.575 -5.066 -4.436 1.00 0.00 H new ATOM 0 HB3 HIS A 454 11.008 -4.295 -3.787 1.00 0.00 H new ATOM 0 HD2 HIS A 454 10.055 -4.640 -7.116 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.873 -6.482 -7.290 1.00 0.00 H new ATOM 0 HE2 HIS A 454 12.000 -5.432 -8.660 1.00 0.00 H new ATOM 604 N GLU A 455 13.017 -7.162 -2.628 1.00 0.00 N ATOM 605 CA GLU A 455 14.301 -7.118 -1.938 1.00 0.00 C ATOM 606 C GLU A 455 14.910 -5.721 -2.013 1.00 0.00 C ATOM 607 O GLU A 455 15.321 -5.156 -0.999 1.00 0.00 O ATOM 608 CB GLU A 455 15.265 -8.140 -2.543 1.00 0.00 C ATOM 609 CG GLU A 455 15.002 -9.567 -2.091 1.00 0.00 C ATOM 610 CD GLU A 455 15.292 -9.775 -0.617 1.00 0.00 C ATOM 611 OE1 GLU A 455 16.447 -10.114 -0.283 1.00 0.00 O ATOM 612 OE2 GLU A 455 14.366 -9.600 0.202 1.00 0.00 O ATOM 0 H GLU A 455 12.882 -7.984 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 455 14.131 -7.366 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 455 15.195 -8.093 -3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 455 16.286 -7.866 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 455 13.962 -9.822 -2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 455 15.617 -10.249 -2.678 1.00 0.00 H new ATOM 619 N ASP A 456 14.966 -5.170 -3.221 1.00 0.00 N ATOM 620 CA ASP A 456 15.525 -3.839 -3.429 1.00 0.00 C ATOM 621 C ASP A 456 15.000 -2.860 -2.384 1.00 0.00 C ATOM 622 O ASP A 456 15.766 -2.322 -1.583 1.00 0.00 O ATOM 623 CB ASP A 456 15.187 -3.335 -4.833 1.00 0.00 C ATOM 624 CG ASP A 456 15.130 -1.822 -4.907 1.00 0.00 C ATOM 625 OD1 ASP A 456 16.173 -1.178 -4.670 1.00 0.00 O ATOM 626 OD2 ASP A 456 14.043 -1.282 -5.201 1.00 0.00 O ATOM 0 H ASP A 456 14.631 -5.624 -4.071 1.00 0.00 H new ATOM 0 HA ASP A 456 16.608 -3.906 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 456 15.933 -3.702 -5.537 1.00 0.00 H new ATOM 0 HB3 ASP A 456 14.227 -3.747 -5.142 1.00 0.00 H new ATOM 631 N LEU A 457 13.692 -2.632 -2.398 1.00 0.00 N ATOM 632 CA LEU A 457 13.064 -1.716 -1.451 1.00 0.00 C ATOM 633 C LEU A 457 13.028 -2.320 -0.051 1.00 0.00 C ATOM 634 O LEU A 457 12.184 -3.164 0.251 1.00 0.00 O ATOM 635 CB LEU A 457 11.645 -1.372 -1.908 1.00 0.00 C ATOM 636 CG LEU A 457 11.526 -0.251 -2.941 1.00 0.00 C ATOM 637 CD1 LEU A 457 10.106 -0.171 -3.479 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.944 1.080 -2.333 1.00 0.00 C ATOM 0 H LEU A 457 13.045 -3.069 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 457 13.659 -0.803 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 457 11.190 -2.271 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.060 -1.095 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 457 12.195 -0.474 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 457 10.040 0.632 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.842 -1.117 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.417 0.029 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.853 1.867 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.300 1.311 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.979 1.017 -1.996 1.00 0.00 H new ATOM 650 N LYS A 458 13.948 -1.881 0.801 1.00 0.00 N ATOM 651 CA LYS A 458 14.020 -2.376 2.171 1.00 0.00 C ATOM 652 C LYS A 458 13.117 -1.560 3.092 1.00 0.00 C ATOM 653 O LYS A 458 12.516 -2.097 4.022 1.00 0.00 O ATOM 654 CB LYS A 458 15.463 -2.325 2.678 1.00 0.00 C ATOM 655 CG LYS A 458 15.772 -3.367 3.739 1.00 0.00 C ATOM 656 CD LYS A 458 17.119 -3.113 4.394 1.00 0.00 C ATOM 657 CE LYS A 458 17.472 -4.211 5.386 1.00 0.00 C ATOM 658 NZ LYS A 458 16.939 -3.923 6.746 1.00 0.00 N ATOM 0 H LYS A 458 14.654 -1.183 0.567 1.00 0.00 H new ATOM 0 HA LYS A 458 13.676 -3.410 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 458 16.140 -2.465 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.661 -1.334 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 458 14.990 -3.358 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 458 15.767 -4.359 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.892 -3.051 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 458 17.100 -2.151 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.072 -5.161 5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 458 18.555 -4.320 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 17.201 -4.695 7.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 17.340 -3.029 7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 15.903 -3.844 6.703 1.00 0.00 H new ATOM 672 N ASP A 459 13.026 -0.262 2.825 1.00 0.00 N ATOM 673 CA ASP A 459 12.195 0.627 3.628 1.00 0.00 C ATOM 674 C ASP A 459 10.754 0.623 3.128 1.00 0.00 C ATOM 675 O ASP A 459 10.483 0.235 1.992 1.00 0.00 O ATOM 676 CB ASP A 459 12.755 2.050 3.597 1.00 0.00 C ATOM 677 CG ASP A 459 12.422 2.831 4.853 1.00 0.00 C ATOM 678 OD1 ASP A 459 12.593 2.277 5.959 1.00 0.00 O ATOM 679 OD2 ASP A 459 11.989 3.996 4.731 1.00 0.00 O ATOM 0 H ASP A 459 13.517 0.198 2.059 1.00 0.00 H new ATOM 0 HA ASP A 459 12.205 0.263 4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 459 13.837 2.009 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 459 12.356 2.576 2.729 1.00 0.00 H new ATOM 684 N MET A 460 9.834 1.057 3.984 1.00 0.00 N ATOM 685 CA MET A 460 8.421 1.103 3.628 1.00 0.00 C ATOM 686 C MET A 460 8.086 2.402 2.902 1.00 0.00 C ATOM 687 O MET A 460 8.815 3.389 3.006 1.00 0.00 O ATOM 688 CB MET A 460 7.553 0.966 4.880 1.00 0.00 C ATOM 689 CG MET A 460 7.528 2.218 5.742 1.00 0.00 C ATOM 690 SD MET A 460 8.902 2.286 6.907 1.00 0.00 S ATOM 691 CE MET A 460 8.193 1.438 8.317 1.00 0.00 C ATOM 0 H MET A 460 10.042 1.382 4.928 1.00 0.00 H new ATOM 0 HA MET A 460 8.213 0.269 2.958 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.534 0.720 4.581 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.920 0.131 5.477 1.00 0.00 H new ATOM 0 HG2 MET A 460 7.558 3.098 5.099 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.588 2.257 6.292 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.925 1.399 9.124 1.00 0.00 H new ATOM 0 HE2 MET A 460 7.307 1.974 8.656 1.00 0.00 H new ATOM 0 HE3 MET A 460 7.915 0.424 8.030 1.00 0.00 H new ATOM 701 N LEU A 461 6.979 2.395 2.167 1.00 0.00 N ATOM 702 CA LEU A 461 6.547 3.573 1.423 1.00 0.00 C ATOM 703 C LEU A 461 5.090 3.906 1.729 1.00 0.00 C ATOM 704 O LEU A 461 4.372 3.103 2.324 1.00 0.00 O ATOM 705 CB LEU A 461 6.726 3.346 -0.079 1.00 0.00 C ATOM 706 CG LEU A 461 8.114 2.890 -0.528 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.304 1.407 -0.251 1.00 0.00 C ATOM 708 CD2 LEU A 461 8.321 3.188 -2.006 1.00 0.00 C ATOM 0 H LEU A 461 6.364 1.587 2.070 1.00 0.00 H new ATOM 0 HA LEU A 461 7.166 4.415 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.999 2.602 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 461 6.485 4.274 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 461 8.859 3.444 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.298 1.100 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.199 1.220 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.551 0.836 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 461 9.314 2.857 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 461 7.569 2.661 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 461 8.228 4.260 -2.177 1.00 0.00 H new ATOM 720 N GLU A 462 4.661 5.094 1.316 1.00 0.00 N ATOM 721 CA GLU A 462 3.289 5.532 1.545 1.00 0.00 C ATOM 722 C GLU A 462 2.621 5.939 0.234 1.00 0.00 C ATOM 723 O GLU A 462 3.159 6.744 -0.526 1.00 0.00 O ATOM 724 CB GLU A 462 3.261 6.704 2.529 1.00 0.00 C ATOM 725 CG GLU A 462 4.102 6.473 3.773 1.00 0.00 C ATOM 726 CD GLU A 462 5.584 6.673 3.522 1.00 0.00 C ATOM 727 OE1 GLU A 462 5.930 7.408 2.573 1.00 0.00 O ATOM 728 OE2 GLU A 462 6.397 6.095 4.272 1.00 0.00 O ATOM 0 H GLU A 462 5.243 5.770 0.821 1.00 0.00 H new ATOM 0 HA GLU A 462 2.735 4.696 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.615 7.602 2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.230 6.893 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.776 7.154 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 462 3.933 5.460 4.138 1.00 0.00 H new ATOM 735 N PHE A 463 1.446 5.375 -0.024 1.00 0.00 N ATOM 736 CA PHE A 463 0.704 5.677 -1.243 1.00 0.00 C ATOM 737 C PHE A 463 -0.745 6.033 -0.924 1.00 0.00 C ATOM 738 O PHE A 463 -1.343 5.520 0.022 1.00 0.00 O ATOM 739 CB PHE A 463 0.750 4.485 -2.201 1.00 0.00 C ATOM 740 CG PHE A 463 2.110 3.858 -2.314 1.00 0.00 C ATOM 741 CD1 PHE A 463 3.225 4.634 -2.586 1.00 0.00 C ATOM 742 CD2 PHE A 463 2.273 2.492 -2.148 1.00 0.00 C ATOM 743 CE1 PHE A 463 4.478 4.061 -2.690 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.524 1.913 -2.250 1.00 0.00 C ATOM 745 CZ PHE A 463 4.627 2.698 -2.523 1.00 0.00 C ATOM 0 H PHE A 463 0.987 4.706 0.594 1.00 0.00 H new ATOM 0 HA PHE A 463 1.173 6.537 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 463 0.038 3.731 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.426 4.811 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 463 3.113 5.700 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.413 1.873 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE A 463 5.339 4.678 -2.901 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.639 0.847 -2.116 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.605 2.247 -2.606 1.00 0.00 H new ATOM 755 N PRO A 464 -1.324 6.934 -1.732 1.00 0.00 N ATOM 756 CA PRO A 464 -2.709 7.380 -1.557 1.00 0.00 C ATOM 757 C PRO A 464 -3.717 6.286 -1.893 1.00 0.00 C ATOM 758 O PRO A 464 -3.456 5.426 -2.734 1.00 0.00 O ATOM 759 CB PRO A 464 -2.835 8.543 -2.543 1.00 0.00 C ATOM 760 CG PRO A 464 -1.808 8.268 -3.587 1.00 0.00 C ATOM 761 CD PRO A 464 -0.670 7.586 -2.879 1.00 0.00 C ATOM 0 HA PRO A 464 -2.921 7.655 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -3.835 8.590 -2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -2.654 9.499 -2.052 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.213 7.634 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -1.476 9.192 -4.060 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.172 6.861 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 464 0.088 8.300 -2.557 1.00 0.00 H new ATOM 769 N ALA A 465 -4.868 6.324 -1.230 1.00 0.00 N ATOM 770 CA ALA A 465 -5.916 5.337 -1.460 1.00 0.00 C ATOM 771 C ALA A 465 -6.246 5.224 -2.945 1.00 0.00 C ATOM 772 O ALA A 465 -6.755 4.200 -3.400 1.00 0.00 O ATOM 773 CB ALA A 465 -7.162 5.695 -0.666 1.00 0.00 C ATOM 0 H ALA A 465 -5.099 7.028 -0.529 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.550 4.368 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -7.936 4.949 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -6.922 5.717 0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -7.523 6.675 -0.977 1.00 0.00 H new ATOM 779 N GLN A 466 -5.955 6.283 -3.694 1.00 0.00 N ATOM 780 CA GLN A 466 -6.223 6.302 -5.127 1.00 0.00 C ATOM 781 C GLN A 466 -5.213 5.443 -5.881 1.00 0.00 C ATOM 782 O GLN A 466 -5.530 4.866 -6.920 1.00 0.00 O ATOM 783 CB GLN A 466 -6.186 7.737 -5.655 1.00 0.00 C ATOM 784 CG GLN A 466 -5.073 8.578 -5.052 1.00 0.00 C ATOM 785 CD GLN A 466 -4.645 9.716 -5.959 1.00 0.00 C ATOM 786 OE1 GLN A 466 -5.011 9.760 -7.134 1.00 0.00 O ATOM 787 NE2 GLN A 466 -3.866 10.644 -5.417 1.00 0.00 N ATOM 0 H GLN A 466 -5.534 7.139 -3.332 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.218 5.888 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -6.067 7.714 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.144 8.216 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.407 8.985 -4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.213 7.941 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -3.587 10.568 -4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -3.547 11.433 -5.979 1.00 0.00 H new ATOM 796 N GLU A 467 -3.997 5.365 -5.350 1.00 0.00 N ATOM 797 CA GLU A 467 -2.941 4.577 -5.975 1.00 0.00 C ATOM 798 C GLU A 467 -3.088 3.098 -5.629 1.00 0.00 C ATOM 799 O GLU A 467 -2.870 2.227 -6.473 1.00 0.00 O ATOM 800 CB GLU A 467 -1.566 5.082 -5.531 1.00 0.00 C ATOM 801 CG GLU A 467 -1.037 6.229 -6.375 1.00 0.00 C ATOM 802 CD GLU A 467 0.254 6.808 -5.830 1.00 0.00 C ATOM 803 OE1 GLU A 467 1.121 6.019 -5.397 1.00 0.00 O ATOM 804 OE2 GLU A 467 0.398 8.048 -5.835 1.00 0.00 O ATOM 0 H GLU A 467 -3.719 5.837 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.030 4.690 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -1.625 5.404 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -0.855 4.256 -5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -0.872 5.879 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -1.790 7.015 -6.426 1.00 0.00 H new ATOM 811 N LEU A 468 -3.457 2.822 -4.384 1.00 0.00 N ATOM 812 CA LEU A 468 -3.633 1.449 -3.924 1.00 0.00 C ATOM 813 C LEU A 468 -5.082 1.001 -4.088 1.00 0.00 C ATOM 814 O LEU A 468 -6.011 1.777 -3.861 1.00 0.00 O ATOM 815 CB LEU A 468 -3.210 1.322 -2.460 1.00 0.00 C ATOM 816 CG LEU A 468 -1.705 1.343 -2.191 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.430 1.580 -0.715 1.00 0.00 C ATOM 818 CD2 LEU A 468 -1.063 0.043 -2.654 1.00 0.00 C ATOM 0 H LEU A 468 -3.640 3.531 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.002 0.804 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -3.670 2.135 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.616 0.391 -2.065 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.265 2.164 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.354 1.592 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -1.856 2.537 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.883 0.781 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.008 0.075 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.507 -0.794 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.230 -0.084 -3.724 1.00 0.00 H new ATOM 830 N ARG A 469 -5.267 -0.255 -4.482 1.00 0.00 N ATOM 831 CA ARG A 469 -6.603 -0.806 -4.675 1.00 0.00 C ATOM 832 C ARG A 469 -6.628 -2.297 -4.351 1.00 0.00 C ATOM 833 O ARG A 469 -5.602 -2.974 -4.414 1.00 0.00 O ATOM 834 CB ARG A 469 -7.069 -0.578 -6.114 1.00 0.00 C ATOM 835 CG ARG A 469 -7.418 0.870 -6.419 1.00 0.00 C ATOM 836 CD ARG A 469 -8.806 1.227 -5.912 1.00 0.00 C ATOM 837 NE ARG A 469 -8.777 1.728 -4.541 1.00 0.00 N ATOM 838 CZ ARG A 469 -9.749 2.456 -4.003 1.00 0.00 C ATOM 839 NH1 ARG A 469 -10.822 2.766 -4.717 1.00 0.00 N ATOM 840 NH2 ARG A 469 -9.650 2.874 -2.748 1.00 0.00 N ATOM 0 H ARG A 469 -4.509 -0.910 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.282 -0.292 -3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -6.285 -0.906 -6.797 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -7.942 -1.202 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -6.681 1.528 -5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -7.368 1.039 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -9.247 1.981 -6.564 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -9.448 0.347 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 469 -7.965 1.507 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -10.903 2.445 -5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -11.567 3.325 -4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -8.827 2.636 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -10.397 3.433 -2.336 1.00 0.00 H new