USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=5 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 :FLIP amide:sc= -1.18 F(o=-2.3,f=-1.2) USER MOD Single : A 425 ASN : amide:sc= 0.58 K(o=0.58,f=-5.1!) USER MOD Single : A 429 CYS SG : rot 180:sc= 0 USER MOD Single : A 435 ASN : amide:sc= -0.596 K(o=-0.6,f=-2.8) USER MOD Single : A 437 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 442 SER OG : rot 9:sc= 0.584 USER MOD Single : A 446 ASN : amide:sc= 0.331 K(o=0.33,f=-9!) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 451 MET CE :methyl -106:sc= -0.807 (180deg=-3.92!) USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 HIS : no HD1:sc= -0.685 K(o=-0.69,f=-6.7!) 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 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 420 -9.751 2.306 5.600 1.00 0.00 N ATOM 67 CA PHE A 420 -9.219 0.974 5.333 1.00 0.00 C ATOM 68 C PHE A 420 -8.334 0.502 6.483 1.00 0.00 C ATOM 69 O PHE A 420 -7.735 1.311 7.191 1.00 0.00 O ATOM 70 CB PHE A 420 -8.422 0.973 4.027 1.00 0.00 C ATOM 71 CG PHE A 420 -9.271 0.753 2.808 1.00 0.00 C ATOM 72 CD1 PHE A 420 -9.512 -0.528 2.337 1.00 0.00 C ATOM 73 CD2 PHE A 420 -9.827 1.827 2.132 1.00 0.00 C ATOM 74 CE1 PHE A 420 -10.293 -0.733 1.215 1.00 0.00 C ATOM 75 CE2 PHE A 420 -10.609 1.627 1.010 1.00 0.00 C ATOM 76 CZ PHE A 420 -10.841 0.346 0.550 1.00 0.00 C ATOM 0 HA PHE A 420 -10.059 0.286 5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 420 -7.899 1.924 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 420 -7.661 0.194 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 420 -9.085 -1.376 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 420 -9.647 2.832 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 420 -10.474 -1.736 0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 420 -11.038 2.473 0.493 1.00 0.00 H new ATOM 0 HZ PHE A 420 -11.450 0.188 -0.328 1.00 0.00 H new ATOM 86 N GLN A 421 -8.257 -0.813 6.662 1.00 0.00 N ATOM 87 CA GLN A 421 -7.447 -1.393 7.726 1.00 0.00 C ATOM 88 C GLN A 421 -6.235 -2.119 7.152 1.00 0.00 C ATOM 89 O GLN A 421 -6.311 -2.786 6.120 1.00 0.00 O ATOM 90 CB GLN A 421 -8.285 -2.358 8.566 1.00 0.00 C ATOM 91 CG GLN A 421 -9.276 -1.663 9.485 1.00 0.00 C ATOM 92 CD GLN A 421 -10.407 -0.997 8.727 1.00 0.00 C ATOM 93 OE1 GLN A 421 -10.306 0.314 8.542 1.00 0.00 O flip ATOM 94 NE2 GLN A 421 -11.362 -1.654 8.311 1.00 0.00 N flip ATOM 0 H GLN A 421 -8.746 -1.496 6.084 1.00 0.00 H new ATOM 0 HA GLN A 421 -7.094 -0.582 8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 421 -8.828 -3.028 7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 421 -7.618 -2.977 9.166 1.00 0.00 H new ATOM 0 HG2 GLN A 421 -9.690 -2.391 10.183 1.00 0.00 H new ATOM 0 HG3 GLN A 421 -8.752 -0.914 10.079 1.00 0.00 H new ATOM 0 HE21 GLN A 421 -11.399 -2.660 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 421 -12.116 -1.192 7.802 1.00 0.00 H new ATOM 103 N PRO A 422 -5.088 -1.989 7.836 1.00 0.00 N ATOM 104 CA PRO A 422 -3.837 -2.626 7.412 1.00 0.00 C ATOM 105 C PRO A 422 -3.875 -4.142 7.574 1.00 0.00 C ATOM 106 O PRO A 422 -4.707 -4.677 8.306 1.00 0.00 O ATOM 107 CB PRO A 422 -2.793 -2.015 8.349 1.00 0.00 C ATOM 108 CG PRO A 422 -3.560 -1.614 9.562 1.00 0.00 C ATOM 109 CD PRO A 422 -4.924 -1.210 9.074 1.00 0.00 C ATOM 0 HA PRO A 422 -3.632 -2.458 6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 422 -2.012 -2.735 8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 422 -2.303 -1.157 7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 422 -3.628 -2.439 10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 422 -3.070 -0.789 10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 422 -5.698 -1.447 9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 422 -4.982 -0.138 8.885 1.00 0.00 H new ATOM 117 N GLY A 423 -2.968 -4.829 6.887 1.00 0.00 N ATOM 118 CA GLY A 423 -2.916 -6.277 6.968 1.00 0.00 C ATOM 119 C GLY A 423 -3.509 -6.949 5.746 1.00 0.00 C ATOM 120 O GLY A 423 -3.400 -8.164 5.582 1.00 0.00 O ATOM 0 H GLY A 423 -2.268 -4.409 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 423 -1.880 -6.594 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 423 -3.453 -6.607 7.857 1.00 0.00 H new ATOM 124 N ASP A 424 -4.140 -6.157 4.886 1.00 0.00 N ATOM 125 CA ASP A 424 -4.754 -6.682 3.672 1.00 0.00 C ATOM 126 C ASP A 424 -3.789 -6.595 2.493 1.00 0.00 C ATOM 127 O ASP A 424 -2.751 -5.940 2.576 1.00 0.00 O ATOM 128 CB ASP A 424 -6.039 -5.918 3.353 1.00 0.00 C ATOM 129 CG ASP A 424 -7.239 -6.463 4.102 1.00 0.00 C ATOM 130 OD1 ASP A 424 -7.406 -7.701 4.135 1.00 0.00 O ATOM 131 OD2 ASP A 424 -8.010 -5.653 4.657 1.00 0.00 O ATOM 0 H ASP A 424 -4.240 -5.149 5.007 1.00 0.00 H new ATOM 0 HA ASP A 424 -4.997 -7.731 3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 424 -5.905 -4.866 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 424 -6.231 -5.967 2.281 1.00 0.00 H new ATOM 136 N ASN A 425 -4.140 -7.260 1.397 1.00 0.00 N ATOM 137 CA ASN A 425 -3.304 -7.258 0.202 1.00 0.00 C ATOM 138 C ASN A 425 -3.845 -6.282 -0.838 1.00 0.00 C ATOM 139 O ASN A 425 -5.035 -6.287 -1.151 1.00 0.00 O ATOM 140 CB ASN A 425 -3.227 -8.665 -0.394 1.00 0.00 C ATOM 141 CG ASN A 425 -4.595 -9.300 -0.556 1.00 0.00 C ATOM 142 OD1 ASN A 425 -5.390 -9.334 0.383 1.00 0.00 O ATOM 143 ND2 ASN A 425 -4.874 -9.807 -1.751 1.00 0.00 N ATOM 0 H ASN A 425 -4.997 -7.807 1.312 1.00 0.00 H new ATOM 0 HA ASN A 425 -2.303 -6.937 0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -2.734 -8.619 -1.365 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -2.611 -9.295 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -5.778 -10.247 -1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -4.184 -9.756 -2.500 1.00 0.00 H new ATOM 150 N VAL A 426 -2.961 -5.445 -1.372 1.00 0.00 N ATOM 151 CA VAL A 426 -3.348 -4.464 -2.379 1.00 0.00 C ATOM 152 C VAL A 426 -2.228 -4.241 -3.389 1.00 0.00 C ATOM 153 O VAL A 426 -1.088 -4.648 -3.166 1.00 0.00 O ATOM 154 CB VAL A 426 -3.719 -3.115 -1.735 1.00 0.00 C ATOM 155 CG1 VAL A 426 -4.960 -3.261 -0.867 1.00 0.00 C ATOM 156 CG2 VAL A 426 -2.552 -2.573 -0.924 1.00 0.00 C ATOM 0 H VAL A 426 -1.972 -5.427 -1.124 1.00 0.00 H new ATOM 0 HA VAL A 426 -4.221 -4.866 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 426 -3.942 -2.402 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 426 -5.207 -2.298 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 426 -5.795 -3.601 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 426 -4.769 -3.988 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 426 -2.832 -1.619 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 426 -2.295 -3.282 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 426 -1.691 -2.428 -1.577 1.00 0.00 H new ATOM 166 N GLU A 427 -2.560 -3.591 -4.500 1.00 0.00 N ATOM 167 CA GLU A 427 -1.581 -3.315 -5.544 1.00 0.00 C ATOM 168 C GLU A 427 -1.770 -1.909 -6.108 1.00 0.00 C ATOM 169 O GLU A 427 -2.822 -1.294 -5.935 1.00 0.00 O ATOM 170 CB GLU A 427 -1.696 -4.347 -6.668 1.00 0.00 C ATOM 171 CG GLU A 427 -0.629 -4.201 -7.740 1.00 0.00 C ATOM 172 CD GLU A 427 -0.780 -5.217 -8.856 1.00 0.00 C ATOM 173 OE1 GLU A 427 -1.866 -5.268 -9.470 1.00 0.00 O ATOM 174 OE2 GLU A 427 0.189 -5.961 -9.114 1.00 0.00 O ATOM 0 H GLU A 427 -3.499 -3.246 -4.700 1.00 0.00 H new ATOM 0 HA GLU A 427 -0.587 -3.380 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 427 -1.634 -5.347 -6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 427 -2.679 -4.259 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 427 -0.676 -3.196 -8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 427 0.355 -4.310 -7.285 1.00 0.00 H new ATOM 181 N VAL A 428 -0.742 -1.406 -6.785 1.00 0.00 N ATOM 182 CA VAL A 428 -0.793 -0.074 -7.375 1.00 0.00 C ATOM 183 C VAL A 428 -1.469 -0.104 -8.741 1.00 0.00 C ATOM 184 O VAL A 428 -1.198 -0.983 -9.560 1.00 0.00 O ATOM 185 CB VAL A 428 0.617 0.528 -7.525 1.00 0.00 C ATOM 186 CG1 VAL A 428 0.554 1.859 -8.258 1.00 0.00 C ATOM 187 CG2 VAL A 428 1.275 0.690 -6.163 1.00 0.00 C ATOM 0 H VAL A 428 0.136 -1.902 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 428 -1.376 0.550 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 428 1.224 -0.157 -8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 428 1.559 2.269 -8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 428 0.127 1.709 -9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -0.069 2.555 -7.696 1.00 0.00 H new ATOM 0 HG21 VAL A 428 2.270 1.116 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 428 0.671 1.353 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 428 1.356 -0.284 -5.680 1.00 0.00 H new ATOM 197 N CYS A 429 -2.350 0.861 -8.980 1.00 0.00 N ATOM 198 CA CYS A 429 -3.067 0.946 -10.247 1.00 0.00 C ATOM 199 C CYS A 429 -2.576 2.132 -11.071 1.00 0.00 C ATOM 200 O CYS A 429 -2.739 2.162 -12.290 1.00 0.00 O ATOM 201 CB CYS A 429 -4.571 1.068 -10.000 1.00 0.00 C ATOM 202 SG CYS A 429 -5.594 0.508 -11.381 1.00 0.00 S ATOM 0 H CYS A 429 -2.585 1.596 -8.313 1.00 0.00 H new ATOM 0 HA CYS A 429 -2.872 0.032 -10.808 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -4.830 0.491 -9.112 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -4.810 2.109 -9.784 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.850 0.649 -11.076 1.00 0.00 H new ATOM 208 N GLU A 430 -1.977 3.108 -10.395 1.00 0.00 N ATOM 209 CA GLU A 430 -1.466 4.298 -11.065 1.00 0.00 C ATOM 210 C GLU A 430 -0.143 4.744 -10.447 1.00 0.00 C ATOM 211 O GLU A 430 0.203 4.341 -9.337 1.00 0.00 O ATOM 212 CB GLU A 430 -2.487 5.434 -10.985 1.00 0.00 C ATOM 213 CG GLU A 430 -2.182 6.593 -11.919 1.00 0.00 C ATOM 214 CD GLU A 430 -1.922 6.142 -13.343 1.00 0.00 C ATOM 215 OE1 GLU A 430 -0.805 5.653 -13.615 1.00 0.00 O ATOM 216 OE2 GLU A 430 -2.833 6.278 -14.186 1.00 0.00 O ATOM 0 H GLU A 430 -1.834 3.098 -9.385 1.00 0.00 H new ATOM 0 HA GLU A 430 -1.293 4.048 -12.112 1.00 0.00 H new ATOM 0 HB2 GLU A 430 -3.476 5.040 -11.220 1.00 0.00 H new ATOM 0 HB3 GLU A 430 -2.526 5.804 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 430 -3.019 7.292 -11.910 1.00 0.00 H new ATOM 0 HG3 GLU A 430 -1.311 7.134 -11.548 1.00 0.00 H new ATOM 223 N GLY A 431 0.592 5.578 -11.176 1.00 0.00 N ATOM 224 CA GLY A 431 1.868 6.065 -10.685 1.00 0.00 C ATOM 225 C GLY A 431 3.034 5.225 -11.167 1.00 0.00 C ATOM 226 O GLY A 431 2.876 4.038 -11.449 1.00 0.00 O ATOM 0 H GLY A 431 0.327 5.925 -12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 431 2.009 7.096 -11.009 1.00 0.00 H new ATOM 0 HA3 GLY A 431 1.856 6.072 -9.595 1.00 0.00 H new ATOM 230 N GLU A 432 4.207 5.842 -11.263 1.00 0.00 N ATOM 231 CA GLU A 432 5.403 5.143 -11.717 1.00 0.00 C ATOM 232 C GLU A 432 5.591 3.834 -10.954 1.00 0.00 C ATOM 233 O GLU A 432 6.223 2.900 -11.447 1.00 0.00 O ATOM 234 CB GLU A 432 6.637 6.030 -11.541 1.00 0.00 C ATOM 235 CG GLU A 432 6.674 7.216 -12.490 1.00 0.00 C ATOM 236 CD GLU A 432 7.255 6.862 -13.845 1.00 0.00 C ATOM 237 OE1 GLU A 432 6.661 6.013 -14.542 1.00 0.00 O ATOM 238 OE2 GLU A 432 8.304 7.434 -14.208 1.00 0.00 O ATOM 0 H GLU A 432 4.355 6.825 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 432 5.278 4.912 -12.775 1.00 0.00 H new ATOM 0 HB2 GLU A 432 6.668 6.396 -10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 432 7.532 5.427 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 432 5.663 7.602 -12.622 1.00 0.00 H new ATOM 0 HG3 GLU A 432 7.265 8.016 -12.043 1.00 0.00 H new ATOM 245 N LEU A 433 5.037 3.775 -9.748 1.00 0.00 N ATOM 246 CA LEU A 433 5.143 2.582 -8.915 1.00 0.00 C ATOM 247 C LEU A 433 4.039 1.584 -9.251 1.00 0.00 C ATOM 248 O LEU A 433 3.486 0.934 -8.363 1.00 0.00 O ATOM 249 CB LEU A 433 5.070 2.961 -7.435 1.00 0.00 C ATOM 250 CG LEU A 433 6.217 3.824 -6.906 1.00 0.00 C ATOM 251 CD1 LEU A 433 5.807 4.528 -5.622 1.00 0.00 C ATOM 252 CD2 LEU A 433 7.461 2.977 -6.679 1.00 0.00 C ATOM 0 H LEU A 433 4.510 4.539 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 433 6.106 2.113 -9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 433 4.133 3.491 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 433 5.031 2.044 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 433 6.450 4.583 -7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 433 6.635 5.137 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 433 4.945 5.166 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 433 5.546 3.786 -4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 433 8.267 3.607 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 433 7.241 2.196 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 433 7.767 2.520 -7.620 1.00 0.00 H new ATOM 264 N ILE A 434 3.726 1.466 -10.536 1.00 0.00 N ATOM 265 CA ILE A 434 2.692 0.545 -10.989 1.00 0.00 C ATOM 266 C ILE A 434 3.170 -0.901 -10.911 1.00 0.00 C ATOM 267 O ILE A 434 4.370 -1.165 -10.852 1.00 0.00 O ATOM 268 CB ILE A 434 2.257 0.852 -12.434 1.00 0.00 C ATOM 269 CG1 ILE A 434 1.042 0.004 -12.816 1.00 0.00 C ATOM 270 CG2 ILE A 434 3.407 0.602 -13.398 1.00 0.00 C ATOM 271 CD1 ILE A 434 0.377 0.445 -14.101 1.00 0.00 C ATOM 0 H ILE A 434 4.174 1.997 -11.283 1.00 0.00 H new ATOM 0 HA ILE A 434 1.838 0.680 -10.325 1.00 0.00 H new ATOM 0 HB ILE A 434 1.977 1.904 -12.497 1.00 0.00 H new ATOM 0 HG12 ILE A 434 1.352 -1.036 -12.915 1.00 0.00 H new ATOM 0 HG13 ILE A 434 0.313 0.043 -12.007 1.00 0.00 H new ATOM 0 HG21 ILE A 434 3.084 0.823 -14.415 1.00 0.00 H new ATOM 0 HG22 ILE A 434 4.247 1.245 -13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 434 3.715 -0.442 -13.334 1.00 0.00 H new ATOM 0 HD11 ILE A 434 -0.476 -0.201 -14.309 1.00 0.00 H new ATOM 0 HD12 ILE A 434 0.036 1.475 -13.999 1.00 0.00 H new ATOM 0 HD13 ILE A 434 1.091 0.379 -14.922 1.00 0.00 H new ATOM 283 N ASN A 435 2.223 -1.833 -10.912 1.00 0.00 N ATOM 284 CA ASN A 435 2.548 -3.253 -10.842 1.00 0.00 C ATOM 285 C ASN A 435 3.311 -3.574 -9.561 1.00 0.00 C ATOM 286 O ASN A 435 4.186 -4.441 -9.547 1.00 0.00 O ATOM 287 CB ASN A 435 3.376 -3.668 -12.060 1.00 0.00 C ATOM 288 CG ASN A 435 2.558 -3.682 -13.337 1.00 0.00 C ATOM 289 OD1 ASN A 435 1.385 -3.310 -13.340 1.00 0.00 O ATOM 290 ND2 ASN A 435 3.177 -4.114 -14.430 1.00 0.00 N ATOM 0 H ASN A 435 1.224 -1.631 -10.960 1.00 0.00 H new ATOM 0 HA ASN A 435 1.614 -3.815 -10.837 1.00 0.00 H new ATOM 0 HB2 ASN A 435 4.215 -2.982 -12.177 1.00 0.00 H new ATOM 0 HB3 ASN A 435 3.796 -4.659 -11.890 1.00 0.00 H new ATOM 0 HD21 ASN A 435 2.678 -4.147 -15.319 1.00 0.00 H new ATOM 0 HD22 ASN A 435 4.151 -4.413 -14.380 1.00 0.00 H new ATOM 297 N LEU A 436 2.974 -2.870 -8.486 1.00 0.00 N ATOM 298 CA LEU A 436 3.627 -3.080 -7.198 1.00 0.00 C ATOM 299 C LEU A 436 2.632 -3.587 -6.159 1.00 0.00 C ATOM 300 O LEU A 436 1.820 -2.822 -5.640 1.00 0.00 O ATOM 301 CB LEU A 436 4.271 -1.780 -6.713 1.00 0.00 C ATOM 302 CG LEU A 436 5.271 -1.915 -5.564 1.00 0.00 C ATOM 303 CD1 LEU A 436 6.559 -2.561 -6.051 1.00 0.00 C ATOM 304 CD2 LEU A 436 5.556 -0.555 -4.943 1.00 0.00 C ATOM 0 H LEU A 436 2.253 -2.149 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 436 4.402 -3.835 -7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 436 4.778 -1.312 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 436 3.479 -1.100 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 436 4.833 -2.557 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 436 7.259 -2.649 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 436 6.341 -3.552 -6.448 1.00 0.00 H new ATOM 0 HD13 LEU A 436 7.001 -1.945 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 436 6.270 -0.670 -4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 436 5.973 0.110 -5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 436 4.629 -0.130 -4.557 1.00 0.00 H new ATOM 316 N GLN A 437 2.703 -4.880 -5.861 1.00 0.00 N ATOM 317 CA GLN A 437 1.809 -5.488 -4.883 1.00 0.00 C ATOM 318 C GLN A 437 2.509 -5.661 -3.538 1.00 0.00 C ATOM 319 O GLN A 437 3.731 -5.791 -3.476 1.00 0.00 O ATOM 320 CB GLN A 437 1.311 -6.843 -5.389 1.00 0.00 C ATOM 321 CG GLN A 437 2.414 -7.728 -5.945 1.00 0.00 C ATOM 322 CD GLN A 437 1.912 -9.098 -6.357 1.00 0.00 C ATOM 323 OE1 GLN A 437 1.523 -9.909 -5.516 1.00 0.00 O ATOM 324 NE2 GLN A 437 1.917 -9.363 -7.658 1.00 0.00 N ATOM 0 H GLN A 437 3.370 -5.526 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 437 0.956 -4.823 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 437 0.814 -7.366 -4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 437 0.563 -6.679 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 437 2.868 -7.238 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 437 3.196 -7.843 -5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 437 2.248 -8.661 -8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 437 1.590 -10.268 -7.995 1.00 0.00 H new ATOM 333 N GLY A 438 1.726 -5.660 -2.464 1.00 0.00 N ATOM 334 CA GLY A 438 2.288 -5.817 -1.136 1.00 0.00 C ATOM 335 C GLY A 438 1.227 -5.827 -0.054 1.00 0.00 C ATOM 336 O GLY A 438 0.033 -5.742 -0.344 1.00 0.00 O ATOM 0 H GLY A 438 0.712 -5.553 -2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 438 2.855 -6.747 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 438 2.990 -5.006 -0.944 1.00 0.00 H new ATOM 340 N LYS A 439 1.660 -5.933 1.198 1.00 0.00 N ATOM 341 CA LYS A 439 0.740 -5.954 2.328 1.00 0.00 C ATOM 342 C LYS A 439 0.644 -4.578 2.978 1.00 0.00 C ATOM 343 O LYS A 439 1.601 -3.804 2.957 1.00 0.00 O ATOM 344 CB LYS A 439 1.193 -6.988 3.362 1.00 0.00 C ATOM 345 CG LYS A 439 0.599 -8.369 3.141 1.00 0.00 C ATOM 346 CD LYS A 439 1.525 -9.461 3.650 1.00 0.00 C ATOM 347 CE LYS A 439 1.374 -9.666 5.150 1.00 0.00 C ATOM 348 NZ LYS A 439 0.182 -10.496 5.479 1.00 0.00 N ATOM 0 H LYS A 439 2.644 -6.006 1.455 1.00 0.00 H new ATOM 0 HA LYS A 439 -0.247 -6.230 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 439 2.280 -7.061 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 439 0.919 -6.639 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -0.362 -8.439 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 439 0.408 -8.518 2.078 1.00 0.00 H new ATOM 0 HD2 LYS A 439 1.308 -10.394 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 439 2.558 -9.200 3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 439 2.270 -10.146 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 439 1.289 -8.697 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 0.114 -10.613 6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -0.676 -10.026 5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 0.275 -11.430 5.030 1.00 0.00 H new ATOM 362 N ILE A 440 -0.516 -4.280 3.555 1.00 0.00 N ATOM 363 CA ILE A 440 -0.734 -2.998 4.213 1.00 0.00 C ATOM 364 C ILE A 440 -0.282 -3.043 5.668 1.00 0.00 C ATOM 365 O ILE A 440 -0.516 -4.026 6.373 1.00 0.00 O ATOM 366 CB ILE A 440 -2.217 -2.584 4.160 1.00 0.00 C ATOM 367 CG1 ILE A 440 -2.746 -2.683 2.728 1.00 0.00 C ATOM 368 CG2 ILE A 440 -2.392 -1.172 4.699 1.00 0.00 C ATOM 369 CD1 ILE A 440 -4.255 -2.631 2.637 1.00 0.00 C ATOM 0 H ILE A 440 -1.319 -4.909 3.580 1.00 0.00 H new ATOM 0 HA ILE A 440 -0.139 -2.261 3.673 1.00 0.00 H new ATOM 0 HB ILE A 440 -2.792 -3.265 4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 440 -2.326 -1.869 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 440 -2.395 -3.614 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 440 -3.445 -0.894 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 440 -2.049 -1.132 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 440 -1.808 -0.477 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 440 -4.559 -2.706 1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 440 -4.682 -3.461 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 440 -4.612 -1.689 3.052 1.00 0.00 H new ATOM 381 N LEU A 441 0.366 -1.973 6.114 1.00 0.00 N ATOM 382 CA LEU A 441 0.851 -1.888 7.487 1.00 0.00 C ATOM 383 C LEU A 441 -0.035 -0.968 8.321 1.00 0.00 C ATOM 384 O LEU A 441 -0.419 -1.307 9.441 1.00 0.00 O ATOM 385 CB LEU A 441 2.294 -1.383 7.509 1.00 0.00 C ATOM 386 CG LEU A 441 3.332 -2.284 6.839 1.00 0.00 C ATOM 387 CD1 LEU A 441 4.740 -1.820 7.176 1.00 0.00 C ATOM 388 CD2 LEU A 441 3.131 -3.733 7.260 1.00 0.00 C ATOM 0 H LEU A 441 0.568 -1.151 5.544 1.00 0.00 H new ATOM 0 HA LEU A 441 0.816 -2.887 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 441 2.323 -0.407 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 441 2.589 -1.233 8.547 1.00 0.00 H new ATOM 0 HG LEU A 441 3.199 -2.218 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 441 5.465 -2.474 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 441 4.880 -0.798 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 441 4.886 -1.855 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 441 3.878 -4.360 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 441 3.236 -3.816 8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 441 2.134 -4.062 6.966 1.00 0.00 H new ATOM 400 N SER A 442 -0.358 0.196 7.767 1.00 0.00 N ATOM 401 CA SER A 442 -1.198 1.166 8.461 1.00 0.00 C ATOM 402 C SER A 442 -1.915 2.073 7.466 1.00 0.00 C ATOM 403 O SER A 442 -1.525 2.168 6.302 1.00 0.00 O ATOM 404 CB SER A 442 -0.355 2.008 9.421 1.00 0.00 C ATOM 405 OG SER A 442 0.064 1.242 10.537 1.00 0.00 O ATOM 0 H SER A 442 -0.051 0.491 6.840 1.00 0.00 H new ATOM 0 HA SER A 442 -1.947 0.618 9.032 1.00 0.00 H new ATOM 0 HB2 SER A 442 0.517 2.400 8.897 1.00 0.00 H new ATOM 0 HB3 SER A 442 -0.934 2.866 9.762 1.00 0.00 H new ATOM 0 HG SER A 442 -0.155 0.299 10.387 1.00 0.00 H new ATOM 411 N VAL A 443 -2.966 2.739 7.933 1.00 0.00 N ATOM 412 CA VAL A 443 -3.738 3.641 7.086 1.00 0.00 C ATOM 413 C VAL A 443 -3.840 5.028 7.710 1.00 0.00 C ATOM 414 O VAL A 443 -4.490 5.211 8.739 1.00 0.00 O ATOM 415 CB VAL A 443 -5.157 3.097 6.836 1.00 0.00 C ATOM 416 CG1 VAL A 443 -5.961 4.072 5.989 1.00 0.00 C ATOM 417 CG2 VAL A 443 -5.094 1.730 6.173 1.00 0.00 C ATOM 0 H VAL A 443 -3.303 2.671 8.893 1.00 0.00 H new ATOM 0 HA VAL A 443 -3.211 3.712 6.135 1.00 0.00 H new ATOM 0 HB VAL A 443 -5.660 2.987 7.797 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -6.961 3.671 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -6.035 5.028 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.464 4.216 5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -6.105 1.361 6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -4.573 1.812 5.219 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.558 1.036 6.820 1.00 0.00 H new ATOM 427 N ASP A 444 -3.193 6.003 7.079 1.00 0.00 N ATOM 428 CA ASP A 444 -3.212 7.375 7.571 1.00 0.00 C ATOM 429 C ASP A 444 -4.210 8.221 6.785 1.00 0.00 C ATOM 430 O ASP A 444 -3.852 8.865 5.800 1.00 0.00 O ATOM 431 CB ASP A 444 -1.816 7.993 7.477 1.00 0.00 C ATOM 432 CG ASP A 444 -0.935 7.614 8.651 1.00 0.00 C ATOM 433 OD1 ASP A 444 -1.049 8.263 9.712 1.00 0.00 O ATOM 434 OD2 ASP A 444 -0.132 6.668 8.509 1.00 0.00 O ATOM 0 H ASP A 444 -2.650 5.868 6.226 1.00 0.00 H new ATOM 0 HA ASP A 444 -3.523 7.355 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 444 -1.341 7.670 6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 444 -1.905 9.078 7.429 1.00 0.00 H new ATOM 439 N GLY A 445 -5.463 8.212 7.228 1.00 0.00 N ATOM 440 CA GLY A 445 -6.494 8.981 6.553 1.00 0.00 C ATOM 441 C GLY A 445 -6.447 8.816 5.047 1.00 0.00 C ATOM 442 O GLY A 445 -6.971 7.844 4.506 1.00 0.00 O ATOM 0 H GLY A 445 -5.783 7.687 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -7.473 8.671 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -6.379 10.036 6.804 1.00 0.00 H new ATOM 446 N ASN A 446 -5.819 9.771 4.369 1.00 0.00 N ATOM 447 CA ASN A 446 -5.707 9.729 2.915 1.00 0.00 C ATOM 448 C ASN A 446 -4.475 8.938 2.486 1.00 0.00 C ATOM 449 O ASN A 446 -4.477 8.281 1.445 1.00 0.00 O ATOM 450 CB ASN A 446 -5.639 11.148 2.347 1.00 0.00 C ATOM 451 CG ASN A 446 -4.833 12.085 3.226 1.00 0.00 C ATOM 452 OD1 ASN A 446 -4.051 11.644 4.068 1.00 0.00 O ATOM 453 ND2 ASN A 446 -5.021 13.385 3.033 1.00 0.00 N ATOM 0 H ASN A 446 -5.380 10.583 4.803 1.00 0.00 H new ATOM 0 HA ASN A 446 -6.592 9.229 2.522 1.00 0.00 H new ATOM 0 HB2 ASN A 446 -5.196 11.117 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 446 -6.650 11.540 2.234 1.00 0.00 H new ATOM 0 HD21 ASN A 446 -4.507 14.064 3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 446 -5.680 13.705 2.323 1.00 0.00 H new ATOM 460 N LYS A 447 -3.425 9.005 3.297 1.00 0.00 N ATOM 461 CA LYS A 447 -2.186 8.294 3.004 1.00 0.00 C ATOM 462 C LYS A 447 -2.216 6.885 3.588 1.00 0.00 C ATOM 463 O LYS A 447 -2.712 6.672 4.695 1.00 0.00 O ATOM 464 CB LYS A 447 -0.987 9.064 3.564 1.00 0.00 C ATOM 465 CG LYS A 447 -0.777 10.420 2.912 1.00 0.00 C ATOM 466 CD LYS A 447 0.382 11.170 3.547 1.00 0.00 C ATOM 467 CE LYS A 447 1.023 12.139 2.566 1.00 0.00 C ATOM 468 NZ LYS A 447 0.319 13.451 2.542 1.00 0.00 N ATOM 0 H LYS A 447 -3.407 9.544 4.162 1.00 0.00 H new ATOM 0 HA LYS A 447 -2.088 8.218 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.124 9.203 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.087 8.464 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -0.586 10.287 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.688 11.013 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.028 11.717 4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.129 10.458 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 447 2.068 12.292 2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.014 11.704 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 0.786 14.083 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.671 13.308 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.350 13.879 3.489 1.00 0.00 H new ATOM 482 N ILE A 448 -1.682 5.927 2.838 1.00 0.00 N ATOM 483 CA ILE A 448 -1.646 4.540 3.283 1.00 0.00 C ATOM 484 C ILE A 448 -0.217 4.009 3.314 1.00 0.00 C ATOM 485 O ILE A 448 0.394 3.774 2.271 1.00 0.00 O ATOM 486 CB ILE A 448 -2.498 3.634 2.373 1.00 0.00 C ATOM 487 CG1 ILE A 448 -3.798 4.342 1.986 1.00 0.00 C ATOM 488 CG2 ILE A 448 -2.793 2.313 3.067 1.00 0.00 C ATOM 489 CD1 ILE A 448 -4.794 4.438 3.120 1.00 0.00 C ATOM 0 H ILE A 448 -1.268 6.086 1.919 1.00 0.00 H new ATOM 0 HA ILE A 448 -2.060 4.522 4.291 1.00 0.00 H new ATOM 0 HB ILE A 448 -1.935 3.425 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -3.564 5.346 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -4.258 3.810 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -3.396 1.684 2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -1.856 1.805 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.339 2.502 3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -5.691 4.951 2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -5.057 3.436 3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -4.353 4.996 3.946 1.00 0.00 H new ATOM 501 N THR A 449 0.312 3.820 4.520 1.00 0.00 N ATOM 502 CA THR A 449 1.669 3.317 4.688 1.00 0.00 C ATOM 503 C THR A 449 1.707 1.796 4.593 1.00 0.00 C ATOM 504 O THR A 449 1.167 1.097 5.452 1.00 0.00 O ATOM 505 CB THR A 449 2.265 3.751 6.041 1.00 0.00 C ATOM 506 OG1 THR A 449 2.246 5.178 6.149 1.00 0.00 O ATOM 507 CG2 THR A 449 3.692 3.244 6.191 1.00 0.00 C ATOM 0 H THR A 449 -0.179 4.008 5.394 1.00 0.00 H new ATOM 0 HA THR A 449 2.267 3.743 3.882 1.00 0.00 H new ATOM 0 HB THR A 449 1.658 3.319 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 449 2.625 5.446 7.012 1.00 0.00 H new ATOM 0 HG21 THR A 449 4.092 3.563 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 449 3.699 2.155 6.138 1.00 0.00 H new ATOM 0 HG23 THR A 449 4.309 3.650 5.389 1.00 0.00 H new ATOM 515 N ILE A 450 2.348 1.289 3.546 1.00 0.00 N ATOM 516 CA ILE A 450 2.458 -0.150 3.341 1.00 0.00 C ATOM 517 C ILE A 450 3.886 -0.548 2.986 1.00 0.00 C ATOM 518 O ILE A 450 4.778 0.297 2.920 1.00 0.00 O ATOM 519 CB ILE A 450 1.510 -0.634 2.227 1.00 0.00 C ATOM 520 CG1 ILE A 450 1.980 -0.114 0.867 1.00 0.00 C ATOM 521 CG2 ILE A 450 0.086 -0.181 2.510 1.00 0.00 C ATOM 522 CD1 ILE A 450 1.457 -0.920 -0.301 1.00 0.00 C ATOM 0 H ILE A 450 2.799 1.853 2.826 1.00 0.00 H new ATOM 0 HA ILE A 450 2.174 -0.625 4.280 1.00 0.00 H new ATOM 0 HB ILE A 450 1.526 -1.724 2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 450 1.663 0.923 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 450 3.070 -0.118 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 450 -0.572 -0.530 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 450 -0.245 -0.595 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 450 0.053 0.908 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 450 1.830 -0.495 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 450 1.796 -1.952 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 450 0.367 -0.895 -0.301 1.00 0.00 H new ATOM 534 N MET A 451 4.095 -1.840 2.757 1.00 0.00 N ATOM 535 CA MET A 451 5.416 -2.350 2.405 1.00 0.00 C ATOM 536 C MET A 451 5.338 -3.270 1.191 1.00 0.00 C ATOM 537 O MET A 451 4.722 -4.336 1.229 1.00 0.00 O ATOM 538 CB MET A 451 6.029 -3.099 3.590 1.00 0.00 C ATOM 539 CG MET A 451 7.548 -3.060 3.613 1.00 0.00 C ATOM 540 SD MET A 451 8.291 -4.263 2.494 1.00 0.00 S ATOM 541 CE MET A 451 9.469 -3.232 1.623 1.00 0.00 C ATOM 0 H MET A 451 3.367 -2.553 2.809 1.00 0.00 H new ATOM 0 HA MET A 451 6.051 -1.501 2.154 1.00 0.00 H new ATOM 0 HB2 MET A 451 5.649 -2.670 4.517 1.00 0.00 H new ATOM 0 HB3 MET A 451 5.701 -4.138 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 451 7.886 -2.060 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 451 7.897 -3.250 4.628 1.00 0.00 H new ATOM 0 HE1 MET A 451 9.106 -3.037 0.614 1.00 0.00 H new ATOM 0 HE2 MET A 451 9.589 -2.288 2.154 1.00 0.00 H new ATOM 0 HE3 MET A 451 10.430 -3.743 1.570 1.00 0.00 H new ATOM 551 N PRO A 452 5.975 -2.851 0.088 1.00 0.00 N ATOM 552 CA PRO A 452 5.992 -3.624 -1.158 1.00 0.00 C ATOM 553 C PRO A 452 6.826 -4.895 -1.040 1.00 0.00 C ATOM 554 O PRO A 452 7.927 -4.879 -0.490 1.00 0.00 O ATOM 555 CB PRO A 452 6.626 -2.660 -2.164 1.00 0.00 C ATOM 556 CG PRO A 452 7.455 -1.740 -1.337 1.00 0.00 C ATOM 557 CD PRO A 452 6.729 -1.592 -0.028 1.00 0.00 C ATOM 0 HA PRO A 452 4.996 -3.963 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.235 -3.194 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.866 -2.114 -2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 452 8.455 -2.146 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 452 7.575 -0.774 -1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 452 7.422 -1.461 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 452 6.067 -0.726 -0.031 1.00 0.00 H new ATOM 565 N LYS A 453 6.294 -5.996 -1.560 1.00 0.00 N ATOM 566 CA LYS A 453 6.990 -7.277 -1.515 1.00 0.00 C ATOM 567 C LYS A 453 8.084 -7.340 -2.576 1.00 0.00 C ATOM 568 O LYS A 453 7.870 -7.857 -3.673 1.00 0.00 O ATOM 569 CB LYS A 453 6.000 -8.426 -1.720 1.00 0.00 C ATOM 570 CG LYS A 453 5.205 -8.774 -0.474 1.00 0.00 C ATOM 571 CD LYS A 453 6.070 -9.470 0.563 1.00 0.00 C ATOM 572 CE LYS A 453 5.299 -9.732 1.848 1.00 0.00 C ATOM 573 NZ LYS A 453 4.517 -10.997 1.778 1.00 0.00 N ATOM 0 H LYS A 453 5.383 -6.027 -2.018 1.00 0.00 H new ATOM 0 HA LYS A 453 7.454 -7.375 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.308 -8.160 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 453 6.546 -9.310 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 453 4.782 -7.865 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.368 -9.419 -0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.436 -10.414 0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 453 6.944 -8.856 0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.995 -9.781 2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.624 -8.898 2.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 4.006 -11.139 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 3.835 -10.941 0.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.163 -11.796 1.617 1.00 0.00 H new ATOM 587 N HIS A 454 9.257 -6.811 -2.242 1.00 0.00 N ATOM 588 CA HIS A 454 10.385 -6.809 -3.166 1.00 0.00 C ATOM 589 C HIS A 454 11.706 -6.692 -2.410 1.00 0.00 C ATOM 590 O HIS A 454 11.768 -6.086 -1.341 1.00 0.00 O ATOM 591 CB HIS A 454 10.252 -5.658 -4.164 1.00 0.00 C ATOM 592 CG HIS A 454 10.962 -5.905 -5.460 1.00 0.00 C ATOM 593 ND1 HIS A 454 12.292 -6.259 -5.534 1.00 0.00 N ATOM 594 CD2 HIS A 454 10.518 -5.848 -6.737 1.00 0.00 C ATOM 595 CE1 HIS A 454 12.636 -6.407 -6.801 1.00 0.00 C ATOM 596 NE2 HIS A 454 11.577 -6.164 -7.551 1.00 0.00 N ATOM 0 H HIS A 454 9.451 -6.379 -1.339 1.00 0.00 H new ATOM 0 HA HIS A 454 10.380 -7.754 -3.710 1.00 0.00 H new ATOM 0 HB2 HIS A 454 9.195 -5.483 -4.366 1.00 0.00 H new ATOM 0 HB3 HIS A 454 10.645 -4.748 -3.711 1.00 0.00 H new ATOM 0 HD2 HIS A 454 9.517 -5.600 -7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 454 13.617 -6.680 -7.162 1.00 0.00 H new ATOM 0 HE2 HIS A 454 11.550 -6.205 -8.570 1.00 0.00 H new ATOM 604 N GLU A 455 12.758 -7.277 -2.974 1.00 0.00 N ATOM 605 CA GLU A 455 14.076 -7.239 -2.351 1.00 0.00 C ATOM 606 C GLU A 455 14.706 -5.857 -2.494 1.00 0.00 C ATOM 607 O GLU A 455 15.141 -5.257 -1.511 1.00 0.00 O ATOM 608 CB GLU A 455 14.990 -8.295 -2.976 1.00 0.00 C ATOM 609 CG GLU A 455 15.166 -8.137 -4.477 1.00 0.00 C ATOM 610 CD GLU A 455 15.877 -9.318 -5.109 1.00 0.00 C ATOM 611 OE1 GLU A 455 15.230 -10.368 -5.301 1.00 0.00 O ATOM 612 OE2 GLU A 455 17.082 -9.190 -5.412 1.00 0.00 O ATOM 0 H GLU A 455 12.724 -7.782 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 455 13.954 -7.456 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 455 15.968 -8.246 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 455 14.583 -9.284 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 455 14.188 -8.015 -4.943 1.00 0.00 H new ATOM 0 HG3 GLU A 455 15.731 -7.227 -4.679 1.00 0.00 H new ATOM 619 N ASP A 456 14.752 -5.359 -3.725 1.00 0.00 N ATOM 620 CA ASP A 456 15.328 -4.047 -3.998 1.00 0.00 C ATOM 621 C ASP A 456 14.821 -3.012 -2.998 1.00 0.00 C ATOM 622 O ASP A 456 15.602 -2.424 -2.248 1.00 0.00 O ATOM 623 CB ASP A 456 14.991 -3.605 -5.423 1.00 0.00 C ATOM 624 CG ASP A 456 15.940 -4.190 -6.450 1.00 0.00 C ATOM 625 OD1 ASP A 456 17.087 -3.704 -6.543 1.00 0.00 O ATOM 626 OD2 ASP A 456 15.536 -5.134 -7.160 1.00 0.00 O ATOM 0 H ASP A 456 14.397 -5.844 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 456 16.410 -4.124 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 456 13.971 -3.906 -5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 456 15.024 -2.517 -5.480 1.00 0.00 H new ATOM 631 N LEU A 457 13.511 -2.794 -2.993 1.00 0.00 N ATOM 632 CA LEU A 457 12.900 -1.829 -2.085 1.00 0.00 C ATOM 633 C LEU A 457 12.854 -2.374 -0.661 1.00 0.00 C ATOM 634 O LEU A 457 12.089 -3.290 -0.359 1.00 0.00 O ATOM 635 CB LEU A 457 11.486 -1.481 -2.556 1.00 0.00 C ATOM 636 CG LEU A 457 11.333 -1.168 -4.045 1.00 0.00 C ATOM 637 CD1 LEU A 457 9.881 -1.312 -4.474 1.00 0.00 C ATOM 638 CD2 LEU A 457 11.844 0.232 -4.351 1.00 0.00 C ATOM 0 H LEU A 457 12.851 -3.272 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 457 13.511 -0.926 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 457 10.827 -2.314 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 457 11.136 -0.620 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 457 11.931 -1.883 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 457 9.791 -1.085 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 457 9.547 -2.333 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 457 9.262 -0.620 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 457 11.727 0.437 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 457 11.274 0.961 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 457 12.898 0.302 -4.082 1.00 0.00 H new ATOM 650 N LYS A 458 13.677 -1.803 0.212 1.00 0.00 N ATOM 651 CA LYS A 458 13.729 -2.227 1.606 1.00 0.00 C ATOM 652 C LYS A 458 12.796 -1.383 2.467 1.00 0.00 C ATOM 653 O LYS A 458 11.922 -1.912 3.155 1.00 0.00 O ATOM 654 CB LYS A 458 15.161 -2.128 2.137 1.00 0.00 C ATOM 655 CG LYS A 458 16.087 -3.203 1.595 1.00 0.00 C ATOM 656 CD LYS A 458 17.541 -2.763 1.645 1.00 0.00 C ATOM 657 CE LYS A 458 17.888 -1.854 0.476 1.00 0.00 C ATOM 658 NZ LYS A 458 19.288 -1.354 0.560 1.00 0.00 N ATOM 0 H LYS A 458 14.318 -1.045 -0.022 1.00 0.00 H new ATOM 0 HA LYS A 458 13.400 -3.265 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 458 15.567 -1.149 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 458 15.141 -2.192 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 458 15.963 -4.118 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 458 15.812 -3.437 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 458 17.732 -2.241 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 458 18.188 -3.640 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 458 17.752 -2.397 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 458 17.201 -1.008 0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 19.486 -0.738 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 19.412 -0.814 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 19.945 -2.160 0.553 1.00 0.00 H new ATOM 672 N ASP A 459 12.985 -0.069 2.423 1.00 0.00 N ATOM 673 CA ASP A 459 12.158 0.849 3.198 1.00 0.00 C ATOM 674 C ASP A 459 10.700 0.771 2.757 1.00 0.00 C ATOM 675 O ASP A 459 10.396 0.284 1.668 1.00 0.00 O ATOM 676 CB ASP A 459 12.673 2.282 3.050 1.00 0.00 C ATOM 677 CG ASP A 459 13.792 2.598 4.023 1.00 0.00 C ATOM 678 OD1 ASP A 459 14.867 1.973 3.914 1.00 0.00 O ATOM 679 OD2 ASP A 459 13.591 3.470 4.895 1.00 0.00 O ATOM 0 H ASP A 459 13.704 0.385 1.859 1.00 0.00 H new ATOM 0 HA ASP A 459 12.218 0.556 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 459 13.028 2.434 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 459 11.850 2.979 3.208 1.00 0.00 H new ATOM 684 N MET A 460 9.802 1.253 3.610 1.00 0.00 N ATOM 685 CA MET A 460 8.376 1.238 3.307 1.00 0.00 C ATOM 686 C MET A 460 7.973 2.483 2.522 1.00 0.00 C ATOM 687 O MET A 460 8.755 3.426 2.391 1.00 0.00 O ATOM 688 CB MET A 460 7.559 1.149 4.598 1.00 0.00 C ATOM 689 CG MET A 460 7.610 2.415 5.437 1.00 0.00 C ATOM 690 SD MET A 460 7.084 2.141 7.140 1.00 0.00 S ATOM 691 CE MET A 460 8.641 1.704 7.910 1.00 0.00 C ATOM 0 H MET A 460 10.037 1.659 4.516 1.00 0.00 H new ATOM 0 HA MET A 460 8.170 0.361 2.694 1.00 0.00 H new ATOM 0 HB2 MET A 460 6.521 0.931 4.347 1.00 0.00 H new ATOM 0 HB3 MET A 460 7.926 0.313 5.194 1.00 0.00 H new ATOM 0 HG2 MET A 460 8.627 2.808 5.434 1.00 0.00 H new ATOM 0 HG3 MET A 460 6.974 3.174 4.982 1.00 0.00 H new ATOM 0 HE1 MET A 460 8.480 1.505 8.969 1.00 0.00 H new ATOM 0 HE2 MET A 460 9.047 0.813 7.431 1.00 0.00 H new ATOM 0 HE3 MET A 460 9.346 2.528 7.799 1.00 0.00 H new ATOM 701 N LEU A 461 6.751 2.479 2.002 1.00 0.00 N ATOM 702 CA LEU A 461 6.245 3.608 1.229 1.00 0.00 C ATOM 703 C LEU A 461 4.840 3.992 1.683 1.00 0.00 C ATOM 704 O LEU A 461 4.233 3.305 2.503 1.00 0.00 O ATOM 705 CB LEU A 461 6.237 3.268 -0.262 1.00 0.00 C ATOM 706 CG LEU A 461 7.607 3.127 -0.926 1.00 0.00 C ATOM 707 CD1 LEU A 461 8.210 1.765 -0.621 1.00 0.00 C ATOM 708 CD2 LEU A 461 7.496 3.338 -2.429 1.00 0.00 C ATOM 0 H LEU A 461 6.092 1.707 2.101 1.00 0.00 H new ATOM 0 HA LEU A 461 6.906 4.458 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 461 5.692 2.334 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 461 5.679 4.043 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 461 8.267 3.893 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 461 9.185 1.683 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 461 8.326 1.652 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 461 7.552 0.983 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 461 8.481 3.234 -2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 461 6.820 2.595 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 461 7.108 4.337 -2.629 1.00 0.00 H new ATOM 720 N GLU A 462 4.329 5.093 1.140 1.00 0.00 N ATOM 721 CA GLU A 462 2.995 5.567 1.489 1.00 0.00 C ATOM 722 C GLU A 462 2.207 5.943 0.237 1.00 0.00 C ATOM 723 O GLU A 462 2.553 6.892 -0.466 1.00 0.00 O ATOM 724 CB GLU A 462 3.086 6.772 2.428 1.00 0.00 C ATOM 725 CG GLU A 462 3.840 6.483 3.716 1.00 0.00 C ATOM 726 CD GLU A 462 3.638 7.561 4.764 1.00 0.00 C ATOM 727 OE1 GLU A 462 2.470 7.848 5.100 1.00 0.00 O ATOM 728 OE2 GLU A 462 4.647 8.116 5.247 1.00 0.00 O ATOM 0 H GLU A 462 4.818 5.672 0.458 1.00 0.00 H new ATOM 0 HA GLU A 462 2.472 4.758 1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 462 3.577 7.593 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 462 2.079 7.108 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 462 3.511 5.525 4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 462 4.904 6.389 3.497 1.00 0.00 H new ATOM 735 N PHE A 463 1.145 5.191 -0.034 1.00 0.00 N ATOM 736 CA PHE A 463 0.308 5.444 -1.201 1.00 0.00 C ATOM 737 C PHE A 463 -1.131 5.734 -0.786 1.00 0.00 C ATOM 738 O PHE A 463 -1.629 5.225 0.219 1.00 0.00 O ATOM 739 CB PHE A 463 0.345 4.244 -2.151 1.00 0.00 C ATOM 740 CG PHE A 463 1.692 3.585 -2.231 1.00 0.00 C ATOM 741 CD1 PHE A 463 2.747 4.211 -2.876 1.00 0.00 C ATOM 742 CD2 PHE A 463 1.903 2.339 -1.663 1.00 0.00 C ATOM 743 CE1 PHE A 463 3.988 3.607 -2.951 1.00 0.00 C ATOM 744 CE2 PHE A 463 3.142 1.730 -1.736 1.00 0.00 C ATOM 745 CZ PHE A 463 4.185 2.364 -2.381 1.00 0.00 C ATOM 0 H PHE A 463 0.844 4.402 0.538 1.00 0.00 H new ATOM 0 HA PHE A 463 0.702 6.320 -1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 463 -0.391 3.509 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 463 0.049 4.571 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 463 2.598 5.182 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 463 1.091 1.838 -1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 463 4.803 4.106 -3.455 1.00 0.00 H new ATOM 0 HE2 PHE A 463 3.294 0.759 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 463 5.153 1.889 -2.440 1.00 0.00 H new ATOM 755 N PRO A 464 -1.817 6.573 -1.577 1.00 0.00 N ATOM 756 CA PRO A 464 -3.208 6.950 -1.312 1.00 0.00 C ATOM 757 C PRO A 464 -4.176 5.793 -1.535 1.00 0.00 C ATOM 758 O PRO A 464 -3.841 4.810 -2.196 1.00 0.00 O ATOM 759 CB PRO A 464 -3.471 8.069 -2.324 1.00 0.00 C ATOM 760 CG PRO A 464 -2.510 7.810 -3.432 1.00 0.00 C ATOM 761 CD PRO A 464 -1.287 7.216 -2.791 1.00 0.00 C ATOM 0 HA PRO A 464 -3.358 7.250 -0.275 1.00 0.00 H new ATOM 0 HB2 PRO A 464 -4.501 8.047 -2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 464 -3.308 9.051 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 464 -2.936 7.126 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 464 -2.265 8.732 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 464 -0.799 6.495 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 464 -0.548 7.980 -2.551 1.00 0.00 H new ATOM 769 N ALA A 465 -5.377 5.916 -0.980 1.00 0.00 N ATOM 770 CA ALA A 465 -6.393 4.881 -1.121 1.00 0.00 C ATOM 771 C ALA A 465 -6.865 4.768 -2.567 1.00 0.00 C ATOM 772 O ALA A 465 -7.657 3.888 -2.903 1.00 0.00 O ATOM 773 CB ALA A 465 -7.570 5.168 -0.201 1.00 0.00 C ATOM 0 H ALA A 465 -5.670 6.722 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 465 -5.947 3.928 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 465 -8.321 4.387 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 465 -7.226 5.191 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 465 -8.007 6.133 -0.459 1.00 0.00 H new ATOM 779 N GLN A 466 -6.374 5.664 -3.416 1.00 0.00 N ATOM 780 CA GLN A 466 -6.747 5.664 -4.826 1.00 0.00 C ATOM 781 C GLN A 466 -5.739 4.876 -5.656 1.00 0.00 C ATOM 782 O GLN A 466 -6.108 4.192 -6.610 1.00 0.00 O ATOM 783 CB GLN A 466 -6.846 7.099 -5.349 1.00 0.00 C ATOM 784 CG GLN A 466 -5.496 7.743 -5.616 1.00 0.00 C ATOM 785 CD GLN A 466 -5.605 9.003 -6.452 1.00 0.00 C ATOM 786 OE1 GLN A 466 -6.700 9.520 -6.676 1.00 0.00 O ATOM 787 NE2 GLN A 466 -4.468 9.505 -6.919 1.00 0.00 N ATOM 0 H GLN A 466 -5.717 6.399 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 466 -7.721 5.183 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -7.429 7.102 -6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -7.391 7.704 -4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -5.018 7.982 -4.666 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -4.851 7.028 -6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -3.583 9.044 -6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -4.480 10.352 -7.488 1.00 0.00 H new ATOM 796 N GLU A 467 -4.466 4.978 -5.286 1.00 0.00 N ATOM 797 CA GLU A 467 -3.406 4.276 -5.998 1.00 0.00 C ATOM 798 C GLU A 467 -3.448 2.780 -5.700 1.00 0.00 C ATOM 799 O GLU A 467 -3.221 1.952 -6.583 1.00 0.00 O ATOM 800 CB GLU A 467 -2.039 4.845 -5.614 1.00 0.00 C ATOM 801 CG GLU A 467 -1.588 5.995 -6.498 1.00 0.00 C ATOM 802 CD GLU A 467 -0.203 6.499 -6.140 1.00 0.00 C ATOM 803 OE1 GLU A 467 0.767 5.728 -6.297 1.00 0.00 O ATOM 804 OE2 GLU A 467 -0.090 7.663 -5.703 1.00 0.00 O ATOM 0 H GLU A 467 -4.145 5.540 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 467 -3.565 4.421 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 467 -2.074 5.186 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 467 -1.297 4.048 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 467 -1.595 5.672 -7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 467 -2.302 6.815 -6.414 1.00 0.00 H new ATOM 811 N LEU A 468 -3.740 2.441 -4.449 1.00 0.00 N ATOM 812 CA LEU A 468 -3.812 1.045 -4.031 1.00 0.00 C ATOM 813 C LEU A 468 -5.230 0.504 -4.182 1.00 0.00 C ATOM 814 O LEU A 468 -6.205 1.245 -4.055 1.00 0.00 O ATOM 815 CB LEU A 468 -3.351 0.901 -2.580 1.00 0.00 C ATOM 816 CG LEU A 468 -1.918 1.345 -2.284 1.00 0.00 C ATOM 817 CD1 LEU A 468 -1.660 1.351 -0.785 1.00 0.00 C ATOM 818 CD2 LEU A 468 -0.922 0.441 -2.995 1.00 0.00 C ATOM 0 H LEU A 468 -3.931 3.114 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 468 -3.151 0.465 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 468 -4.026 1.476 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 468 -3.454 -0.144 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 468 -1.788 2.360 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 468 -0.635 1.669 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 468 -2.351 2.040 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 468 -1.809 0.348 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 468 0.093 0.772 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 468 -1.052 -0.585 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 468 -1.092 0.488 -4.071 1.00 0.00 H new ATOM 830 N ARG A 469 -5.338 -0.793 -4.452 1.00 0.00 N ATOM 831 CA ARG A 469 -6.637 -1.434 -4.619 1.00 0.00 C ATOM 832 C ARG A 469 -6.555 -2.922 -4.294 1.00 0.00 C ATOM 833 O ARG A 469 -5.469 -3.500 -4.248 1.00 0.00 O ATOM 834 CB ARG A 469 -7.145 -1.240 -6.049 1.00 0.00 C ATOM 835 CG ARG A 469 -6.468 -2.148 -7.063 1.00 0.00 C ATOM 836 CD ARG A 469 -6.770 -1.713 -8.489 1.00 0.00 C ATOM 837 NE ARG A 469 -8.037 -2.255 -8.971 1.00 0.00 N ATOM 838 CZ ARG A 469 -9.216 -1.694 -8.729 1.00 0.00 C ATOM 839 NH1 ARG A 469 -9.290 -0.579 -8.016 1.00 0.00 N ATOM 840 NH2 ARG A 469 -10.325 -2.248 -9.202 1.00 0.00 N ATOM 0 H ARG A 469 -4.541 -1.421 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 469 -7.336 -0.967 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 469 -8.220 -1.421 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 469 -6.990 -0.202 -6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 469 -5.390 -2.139 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 469 -6.804 -3.174 -6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 469 -6.800 -0.624 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 469 -5.963 -2.039 -9.146 1.00 0.00 H new ATOM 0 HE ARG A 469 -8.015 -3.112 -9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 469 -8.440 -0.149 -7.651 1.00 0.00 H new ATOM 0 HH12 ARG A 469 -10.197 -0.151 -7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 469 -10.272 -3.105 -9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 469 -11.230 -1.816 -9.016 1.00 0.00 H new