USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 493 TYR OH : rot 180:sc= -0.644 USER MOD Set 1.2: A 496 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 478 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=0) USER MOD Single : A 481 GLN : amide:sc= -0.918 K(o=-0.92,f=-2!) USER MOD Single : A 485 HIS : no HD1:sc= -0.972 X(o=-0.97,f=-1.1) USER MOD Single : A 488 HIS : no HE2:sc= 0.447 K(o=0.45,f=-3.9!) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc=0.000357 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl 142:sc= -0.0942 (180deg=-2.1!) USER MOD Single : A 512 THR OG1 : rot 34:sc= 0.51 USER MOD Single : A 513 TYR OH : rot 24:sc= 0.847 USER MOD Single : A 515 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.78) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 524 SER OG : rot -34:sc= 0.197 USER MOD Single : A 525 SER OG : rot -170:sc= -0.575 USER MOD Single : A 527 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 530 SER OG : rot 180:sc= 0 USER MOD Single : A 532 TYR OH : rot 180:sc= 0 USER MOD Single : A 543 HIS : no HE2:sc= 1.07 K(o=1.1,f=-3.3!) USER MOD Single : A 544 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N LEU A 477 0.572 -8.422 5.249 1.00 0.62 N ATOM 86 CA LEU A 477 1.632 -7.447 5.088 1.00 0.41 C ATOM 87 C LEU A 477 2.131 -6.944 6.436 1.00 0.48 C ATOM 88 O LEU A 477 1.395 -6.935 7.424 1.00 0.70 O ATOM 89 CB LEU A 477 1.115 -6.290 4.243 1.00 0.33 C ATOM 90 CG LEU A 477 0.908 -6.622 2.773 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.293 -5.875 2.229 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.151 -6.265 1.981 1.00 0.34 C ATOM 0 HA LEU A 477 2.476 -7.921 4.587 1.00 0.41 H new ATOM 0 HB2 LEU A 477 0.169 -5.947 4.661 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.817 -5.460 4.319 1.00 0.33 H new ATOM 0 HG LEU A 477 0.724 -7.692 2.677 1.00 0.27 H new ATOM 0 HD11 LEU A 477 -0.429 -6.122 1.176 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.184 -6.163 2.787 1.00 0.32 H new ATOM 0 HD13 LEU A 477 -0.131 -4.802 2.332 1.00 0.32 H new ATOM 0 HD21 LEU A 477 1.994 -6.506 0.930 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.353 -5.199 2.083 1.00 0.34 H new ATOM 0 HD23 LEU A 477 3.000 -6.833 2.361 1.00 0.34 H new ATOM 104 N HIS A 478 3.382 -6.523 6.459 1.00 0.41 N ATOM 105 CA HIS A 478 4.025 -6.069 7.670 1.00 0.48 C ATOM 106 C HIS A 478 3.932 -4.544 7.750 1.00 0.36 C ATOM 107 O HIS A 478 4.054 -3.858 6.739 1.00 0.30 O ATOM 108 CB HIS A 478 5.480 -6.558 7.643 1.00 0.63 C ATOM 109 CG HIS A 478 6.337 -6.061 8.757 1.00 1.07 C ATOM 110 ND1 HIS A 478 6.596 -6.781 9.901 1.00 1.59 N ATOM 111 CD2 HIS A 478 7.021 -4.910 8.873 1.00 1.83 C ATOM 112 CE1 HIS A 478 7.407 -6.088 10.678 1.00 1.99 C ATOM 113 NE2 HIS A 478 7.680 -4.946 10.075 1.00 2.14 N ATOM 0 H HIS A 478 3.980 -6.488 5.633 1.00 0.41 H new ATOM 0 HA HIS A 478 3.537 -6.471 8.558 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.481 -7.648 7.664 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.930 -6.257 6.697 1.00 0.63 H new ATOM 0 HD2 HIS A 478 7.047 -4.106 8.153 1.00 1.83 H new ATOM 0 HE1 HIS A 478 7.782 -6.401 11.641 1.00 1.99 H new ATOM 0 HE2 HIS A 478 8.283 -4.210 10.443 1.00 2.14 H new ATOM 122 N ILE A 479 3.695 -4.021 8.944 1.00 0.37 N ATOM 123 CA ILE A 479 3.538 -2.583 9.130 1.00 0.34 C ATOM 124 C ILE A 479 4.851 -1.855 8.862 1.00 0.31 C ATOM 125 O ILE A 479 5.876 -2.162 9.474 1.00 0.35 O ATOM 126 CB ILE A 479 3.061 -2.240 10.556 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.747 -2.967 10.882 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.901 -0.734 10.709 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.599 -2.622 9.955 1.00 0.56 C ATOM 0 H ILE A 479 3.607 -4.569 9.799 1.00 0.37 H new ATOM 0 HA ILE A 479 2.782 -2.255 8.417 1.00 0.34 H new ATOM 0 HB ILE A 479 3.815 -2.581 11.265 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.920 -4.042 10.842 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.457 -2.728 11.905 1.00 0.54 H new ATOM 0 HG21 ILE A 479 2.564 -0.505 11.720 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.858 -0.246 10.526 1.00 0.51 H new ATOM 0 HG23 ILE A 479 2.166 -0.371 9.990 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.290 -3.177 10.254 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.395 -1.553 10.011 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.865 -2.887 8.932 1.00 0.56 H new ATOM 141 N GLY A 480 4.813 -0.896 7.948 1.00 0.30 N ATOM 142 CA GLY A 480 6.004 -0.144 7.616 1.00 0.38 C ATOM 143 C GLY A 480 6.769 -0.770 6.465 1.00 0.41 C ATOM 144 O GLY A 480 7.849 -0.305 6.093 1.00 0.63 O ATOM 0 H GLY A 480 3.977 -0.626 7.430 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.727 0.877 7.354 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.651 -0.084 8.491 1.00 0.38 H new ATOM 148 N GLN A 481 6.192 -1.818 5.890 1.00 0.28 N ATOM 149 CA GLN A 481 6.826 -2.550 4.804 1.00 0.35 C ATOM 150 C GLN A 481 6.693 -1.776 3.498 1.00 0.30 C ATOM 151 O GLN A 481 5.624 -1.240 3.197 1.00 0.30 O ATOM 152 CB GLN A 481 6.178 -3.932 4.679 1.00 0.42 C ATOM 153 CG GLN A 481 6.760 -4.812 3.588 1.00 1.02 C ATOM 154 CD GLN A 481 6.161 -6.203 3.605 1.00 1.43 C ATOM 155 OE1 GLN A 481 5.152 -6.469 2.955 1.00 2.34 O ATOM 156 NE2 GLN A 481 6.779 -7.101 4.352 1.00 1.79 N ATOM 0 H GLN A 481 5.278 -2.181 6.162 1.00 0.28 H new ATOM 0 HA GLN A 481 7.887 -2.672 5.020 1.00 0.35 H new ATOM 0 HB2 GLN A 481 6.273 -4.450 5.633 1.00 0.42 H new ATOM 0 HB3 GLN A 481 5.112 -3.802 4.492 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.581 -4.352 2.616 1.00 1.02 H new ATOM 0 HG3 GLN A 481 7.840 -4.880 3.714 1.00 1.02 H new ATOM 0 HE21 GLN A 481 7.614 -6.840 4.877 1.00 1.79 H new ATOM 0 HE22 GLN A 481 6.421 -8.055 4.404 1.00 1.79 H new ATOM 165 N PRO A 482 7.783 -1.676 2.723 1.00 0.33 N ATOM 166 CA PRO A 482 7.756 -0.997 1.436 1.00 0.30 C ATOM 167 C PRO A 482 7.067 -1.837 0.364 1.00 0.28 C ATOM 168 O PRO A 482 7.486 -2.961 0.062 1.00 0.33 O ATOM 169 CB PRO A 482 9.237 -0.803 1.108 1.00 0.34 C ATOM 170 CG PRO A 482 9.934 -1.914 1.814 1.00 0.40 C ATOM 171 CD PRO A 482 9.121 -2.211 3.046 1.00 0.43 C ATOM 0 HA PRO A 482 7.194 -0.064 1.470 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.413 -0.846 0.033 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.594 0.168 1.451 1.00 0.34 H new ATOM 0 HG2 PRO A 482 10.007 -2.794 1.176 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.951 -1.627 2.080 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.085 -3.281 3.253 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.542 -1.730 3.929 1.00 0.43 H new ATOM 179 N VAL A 483 6.013 -1.286 -0.210 1.00 0.24 N ATOM 180 CA VAL A 483 5.266 -1.963 -1.254 1.00 0.24 C ATOM 181 C VAL A 483 4.995 -1.006 -2.404 1.00 0.27 C ATOM 182 O VAL A 483 4.819 0.193 -2.195 1.00 0.39 O ATOM 183 CB VAL A 483 3.929 -2.540 -0.731 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.176 -3.717 0.201 1.00 0.29 C ATOM 185 CG2 VAL A 483 3.117 -1.467 -0.024 1.00 0.25 C ATOM 0 H VAL A 483 5.653 -0.363 0.032 1.00 0.24 H new ATOM 0 HA VAL A 483 5.875 -2.798 -1.601 1.00 0.24 H new ATOM 0 HB VAL A 483 3.358 -2.894 -1.589 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.222 -4.106 0.556 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.710 -4.501 -0.336 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.773 -3.388 1.052 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.182 -1.896 0.335 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.686 -1.078 0.821 1.00 0.25 H new ATOM 0 HG23 VAL A 483 2.901 -0.656 -0.720 1.00 0.25 H new ATOM 195 N VAL A 484 4.981 -1.533 -3.612 1.00 0.28 N ATOM 196 CA VAL A 484 4.810 -0.712 -4.792 1.00 0.31 C ATOM 197 C VAL A 484 3.379 -0.750 -5.301 1.00 0.28 C ATOM 198 O VAL A 484 2.760 -1.810 -5.427 1.00 0.29 O ATOM 199 CB VAL A 484 5.783 -1.112 -5.921 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.212 -0.806 -5.517 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.633 -2.572 -6.285 1.00 0.31 C ATOM 0 H VAL A 484 5.086 -2.530 -3.802 1.00 0.28 H new ATOM 0 HA VAL A 484 5.042 0.309 -4.490 1.00 0.31 H new ATOM 0 HB VAL A 484 5.535 -0.524 -6.804 1.00 0.35 H new ATOM 0 HG11 VAL A 484 7.887 -1.093 -6.323 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.314 0.261 -5.321 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.463 -1.366 -4.616 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.332 -2.822 -7.083 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.844 -3.188 -5.411 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.614 -2.760 -6.624 1.00 0.31 H new ATOM 211 N HIS A 485 2.862 0.432 -5.558 1.00 0.34 N ATOM 212 CA HIS A 485 1.543 0.607 -6.132 1.00 0.29 C ATOM 213 C HIS A 485 1.704 0.890 -7.611 1.00 0.24 C ATOM 214 O HIS A 485 2.322 1.880 -7.981 1.00 0.29 O ATOM 215 CB HIS A 485 0.826 1.775 -5.444 1.00 0.36 C ATOM 216 CG HIS A 485 -0.627 1.921 -5.791 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.293 3.130 -5.754 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.551 1.003 -6.152 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.559 2.942 -6.075 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.740 1.661 -6.320 1.00 0.73 N ATOM 0 H HIS A 485 3.350 1.308 -5.373 1.00 0.34 H new ATOM 0 HA HIS A 485 0.946 -0.293 -5.989 1.00 0.29 H new ATOM 0 HB2 HIS A 485 0.916 1.651 -4.365 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.341 2.700 -5.703 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.382 -0.056 -6.284 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.318 3.709 -6.128 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.623 1.229 -6.591 1.00 0.73 H new ATOM 229 N LEU A 486 1.147 0.019 -8.442 1.00 0.23 N ATOM 230 CA LEU A 486 1.291 0.110 -9.899 1.00 0.30 C ATOM 231 C LEU A 486 0.944 1.504 -10.444 1.00 0.38 C ATOM 232 O LEU A 486 1.373 1.874 -11.536 1.00 0.52 O ATOM 233 CB LEU A 486 0.458 -1.001 -10.587 1.00 0.32 C ATOM 234 CG LEU A 486 -1.085 -0.864 -10.619 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.653 -0.409 -9.285 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.534 0.060 -11.741 1.00 0.48 C ATOM 0 H LEU A 486 0.582 -0.771 -8.131 1.00 0.23 H new ATOM 0 HA LEU A 486 2.343 -0.047 -10.137 1.00 0.30 H new ATOM 0 HB2 LEU A 486 0.804 -1.083 -11.617 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.696 -1.944 -10.095 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.483 -1.860 -10.815 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.737 -0.328 -9.360 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.395 -1.134 -8.513 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.234 0.563 -9.024 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.621 0.135 -11.737 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -1.101 1.049 -11.593 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -1.202 -0.342 -12.698 1.00 0.48 H new ATOM 248 N GLU A 487 0.185 2.275 -9.672 1.00 0.38 N ATOM 249 CA GLU A 487 -0.200 3.620 -10.072 1.00 0.54 C ATOM 250 C GLU A 487 0.897 4.646 -9.767 1.00 0.55 C ATOM 251 O GLU A 487 1.243 5.454 -10.624 1.00 0.69 O ATOM 252 CB GLU A 487 -1.497 4.026 -9.374 1.00 0.64 C ATOM 253 CG GLU A 487 -2.712 3.235 -9.830 1.00 0.76 C ATOM 254 CD GLU A 487 -3.993 3.714 -9.180 1.00 1.47 C ATOM 255 OE1 GLU A 487 -4.329 4.907 -9.329 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.668 2.901 -8.517 1.00 1.85 O ATOM 0 H GLU A 487 -0.176 1.988 -8.762 1.00 0.38 H new ATOM 0 HA GLU A 487 -0.352 3.607 -11.151 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.375 3.899 -8.298 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -1.678 5.086 -9.551 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.807 3.313 -10.913 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -2.563 2.180 -9.598 1.00 0.76 H new ATOM 263 N HIS A 488 1.444 4.619 -8.551 1.00 0.44 N ATOM 264 CA HIS A 488 2.413 5.648 -8.146 1.00 0.48 C ATOM 265 C HIS A 488 3.791 5.081 -7.827 1.00 0.42 C ATOM 266 O HIS A 488 4.806 5.697 -8.151 1.00 0.52 O ATOM 267 CB HIS A 488 1.895 6.457 -6.956 1.00 0.53 C ATOM 268 CG HIS A 488 1.181 7.710 -7.362 1.00 0.71 C ATOM 269 ND1 HIS A 488 1.602 8.971 -6.995 1.00 1.44 N ATOM 270 CD2 HIS A 488 0.069 7.892 -8.110 1.00 1.14 C ATOM 271 CE1 HIS A 488 0.780 9.872 -7.502 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.157 9.243 -8.182 1.00 1.12 N ATOM 0 H HIS A 488 1.242 3.915 -7.841 1.00 0.44 H new ATOM 0 HA HIS A 488 2.526 6.305 -9.008 1.00 0.48 H new ATOM 0 HB2 HIS A 488 1.219 5.835 -6.368 1.00 0.53 H new ATOM 0 HB3 HIS A 488 2.733 6.717 -6.309 1.00 0.53 H new ATOM 0 HD1 HIS A 488 2.420 9.176 -6.422 1.00 1.44 H new ATOM 0 HD2 HIS A 488 -0.530 7.117 -8.566 1.00 1.14 H new ATOM 0 HE1 HIS A 488 0.862 10.942 -7.380 1.00 1.39 H new ATOM 281 N GLY A 489 3.841 3.930 -7.178 1.00 0.37 N ATOM 282 CA GLY A 489 5.120 3.311 -6.905 1.00 0.39 C ATOM 283 C GLY A 489 5.282 2.897 -5.461 1.00 0.29 C ATOM 284 O GLY A 489 4.302 2.607 -4.775 1.00 0.25 O ATOM 0 H GLY A 489 3.028 3.417 -6.838 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.237 2.435 -7.543 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.917 4.006 -7.169 1.00 0.39 H new ATOM 288 N VAL A 490 6.526 2.876 -5.009 1.00 0.30 N ATOM 289 CA VAL A 490 6.876 2.410 -3.673 1.00 0.27 C ATOM 290 C VAL A 490 6.308 3.314 -2.572 1.00 0.21 C ATOM 291 O VAL A 490 6.436 4.543 -2.618 1.00 0.23 O ATOM 292 CB VAL A 490 8.412 2.300 -3.532 1.00 0.34 C ATOM 293 CG1 VAL A 490 9.079 3.631 -3.832 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.811 1.799 -2.152 1.00 1.06 C ATOM 0 H VAL A 490 7.327 3.183 -5.561 1.00 0.30 H new ATOM 0 HA VAL A 490 6.426 1.425 -3.547 1.00 0.27 H new ATOM 0 HB VAL A 490 8.757 1.569 -4.263 1.00 0.34 H new ATOM 0 HG11 VAL A 490 10.159 3.529 -3.726 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.841 3.936 -4.851 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.716 4.385 -3.134 1.00 0.94 H new ATOM 0 HG21 VAL A 490 9.897 1.734 -2.089 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.444 2.491 -1.394 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.378 0.813 -1.984 1.00 1.06 H new ATOM 304 N GLY A 491 5.668 2.681 -1.598 1.00 0.18 N ATOM 305 CA GLY A 491 5.124 3.382 -0.453 1.00 0.18 C ATOM 306 C GLY A 491 5.311 2.580 0.822 1.00 0.16 C ATOM 307 O GLY A 491 5.855 1.475 0.785 1.00 0.16 O ATOM 0 H GLY A 491 5.514 1.673 -1.583 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.612 4.351 -0.351 1.00 0.18 H new ATOM 0 HA3 GLY A 491 4.063 3.575 -0.612 1.00 0.18 H new ATOM 311 N ARG A 492 4.856 3.119 1.947 1.00 0.17 N ATOM 312 CA ARG A 492 4.989 2.435 3.228 1.00 0.17 C ATOM 313 C ARG A 492 3.640 1.943 3.718 1.00 0.14 C ATOM 314 O ARG A 492 2.742 2.738 4.007 1.00 0.18 O ATOM 315 CB ARG A 492 5.628 3.357 4.261 1.00 0.24 C ATOM 316 CG ARG A 492 7.075 3.675 3.946 1.00 0.37 C ATOM 317 CD ARG A 492 7.945 2.435 4.056 1.00 0.44 C ATOM 318 NE ARG A 492 9.328 2.685 3.657 1.00 0.98 N ATOM 319 CZ ARG A 492 10.310 1.805 3.825 1.00 1.21 C ATOM 320 NH1 ARG A 492 10.079 0.668 4.471 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.528 2.065 3.369 1.00 1.93 N ATOM 0 H ARG A 492 4.392 4.026 1.998 1.00 0.17 H new ATOM 0 HA ARG A 492 5.637 1.570 3.087 1.00 0.17 H new ATOM 0 HB2 ARG A 492 5.060 4.286 4.314 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.569 2.890 5.244 1.00 0.24 H new ATOM 0 HG2 ARG A 492 7.149 4.087 2.939 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.440 4.440 4.631 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.927 2.072 5.084 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.527 1.645 3.432 1.00 0.44 H new ATOM 0 HE ARG A 492 9.552 3.582 3.227 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.148 0.470 4.838 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.832 -0.007 4.600 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.715 2.944 2.887 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.278 1.386 3.501 1.00 1.93 H new ATOM 335 N TYR A 493 3.500 0.628 3.783 1.00 0.15 N ATOM 336 CA TYR A 493 2.252 -0.001 4.182 1.00 0.14 C ATOM 337 C TYR A 493 1.905 0.342 5.623 1.00 0.14 C ATOM 338 O TYR A 493 2.747 0.219 6.514 1.00 0.15 O ATOM 339 CB TYR A 493 2.366 -1.516 4.030 1.00 0.15 C ATOM 340 CG TYR A 493 1.084 -2.253 4.326 1.00 0.15 C ATOM 341 CD1 TYR A 493 0.057 -2.304 3.394 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.905 -2.908 5.538 1.00 1.21 C ATOM 343 CE1 TYR A 493 -1.112 -2.987 3.662 1.00 1.15 C ATOM 344 CE2 TYR A 493 -0.262 -3.591 5.813 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.267 -3.628 4.872 1.00 0.19 C ATOM 346 OH TYR A 493 -2.428 -4.317 5.137 1.00 0.23 O ATOM 0 H TYR A 493 4.246 -0.031 3.561 1.00 0.15 H new ATOM 0 HA TYR A 493 1.458 0.375 3.537 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.681 -1.748 3.013 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.147 -1.881 4.697 1.00 0.15 H new ATOM 0 HD1 TYR A 493 0.174 -1.802 2.445 1.00 1.14 H new ATOM 0 HD2 TYR A 493 1.692 -2.882 6.277 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -1.902 -3.019 2.926 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -0.387 -4.094 6.761 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.377 -4.712 6.033 1.00 0.23 H new ATOM 356 N ALA A 494 0.669 0.758 5.854 1.00 0.18 N ATOM 357 CA ALA A 494 0.238 1.090 7.201 1.00 0.21 C ATOM 358 C ALA A 494 -1.138 0.516 7.499 1.00 0.21 C ATOM 359 O ALA A 494 -2.153 1.127 7.185 1.00 0.22 O ATOM 360 CB ALA A 494 0.222 2.597 7.394 1.00 0.25 C ATOM 0 H ALA A 494 -0.045 0.872 5.135 1.00 0.18 H new ATOM 0 HA ALA A 494 0.950 0.646 7.896 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.103 2.831 8.408 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.224 2.995 7.233 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.466 3.048 6.679 1.00 0.25 H new ATOM 366 N GLY A 495 -1.149 -0.640 8.146 1.00 0.22 N ATOM 367 CA GLY A 495 -2.387 -1.263 8.578 1.00 0.23 C ATOM 368 C GLY A 495 -3.423 -1.415 7.479 1.00 0.21 C ATOM 369 O GLY A 495 -3.094 -1.554 6.299 1.00 0.21 O ATOM 0 H GLY A 495 -0.308 -1.167 8.383 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.162 -2.247 8.988 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.816 -0.671 9.387 1.00 0.23 H new ATOM 373 N MET A 496 -4.677 -1.402 7.884 1.00 0.22 N ATOM 374 CA MET A 496 -5.798 -1.508 6.961 1.00 0.21 C ATOM 375 C MET A 496 -6.955 -0.638 7.421 1.00 0.22 C ATOM 376 O MET A 496 -7.089 -0.339 8.609 1.00 0.27 O ATOM 377 CB MET A 496 -6.265 -2.959 6.827 1.00 0.23 C ATOM 378 CG MET A 496 -5.625 -3.695 5.665 1.00 0.22 C ATOM 379 SD MET A 496 -6.188 -5.404 5.525 1.00 0.33 S ATOM 380 CE MET A 496 -5.417 -5.879 3.980 1.00 1.68 C ATOM 0 H MET A 496 -4.952 -1.318 8.863 1.00 0.22 H new ATOM 0 HA MET A 496 -5.457 -1.160 5.986 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.041 -3.491 7.752 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.348 -2.974 6.704 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.849 -3.166 4.738 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.542 -3.683 5.785 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.669 -6.914 3.751 1.00 1.68 H new ATOM 0 HE2 MET A 496 -5.777 -5.232 3.180 1.00 1.68 H new ATOM 0 HE3 MET A 496 -4.335 -5.780 4.068 1.00 1.68 H new ATOM 390 N THR A 497 -7.772 -0.221 6.474 1.00 0.20 N ATOM 391 CA THR A 497 -8.928 0.606 6.761 1.00 0.22 C ATOM 392 C THR A 497 -10.156 0.054 6.042 1.00 0.22 C ATOM 393 O THR A 497 -10.055 -0.450 4.927 1.00 0.20 O ATOM 394 CB THR A 497 -8.677 2.074 6.346 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.849 2.869 6.566 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.264 2.165 4.884 1.00 0.24 C ATOM 0 H THR A 497 -7.654 -0.445 5.486 1.00 0.20 H new ATOM 0 HA THR A 497 -9.106 0.586 7.836 1.00 0.22 H new ATOM 0 HB THR A 497 -7.865 2.458 6.963 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.671 3.795 6.299 1.00 0.31 H new ATOM 0 HG21 THR A 497 -8.094 3.208 4.618 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.347 1.597 4.729 1.00 0.24 H new ATOM 0 HG23 THR A 497 -9.055 1.755 4.256 1.00 0.24 H new ATOM 404 N THR A 498 -11.304 0.113 6.685 1.00 0.28 N ATOM 405 CA THR A 498 -12.528 -0.351 6.062 1.00 0.29 C ATOM 406 C THR A 498 -13.282 0.827 5.458 1.00 0.29 C ATOM 407 O THR A 498 -13.518 1.829 6.135 1.00 0.36 O ATOM 408 CB THR A 498 -13.422 -1.075 7.080 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.664 -1.366 8.264 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.959 -2.369 6.494 1.00 0.67 C ATOM 0 H THR A 498 -11.416 0.475 7.632 1.00 0.28 H new ATOM 0 HA THR A 498 -12.264 -1.056 5.273 1.00 0.29 H new ATOM 0 HB THR A 498 -14.262 -0.427 7.329 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.236 -1.826 8.913 1.00 0.84 H new ATOM 0 HG21 THR A 498 -14.590 -2.867 7.230 1.00 0.67 H new ATOM 0 HG22 THR A 498 -14.546 -2.149 5.602 1.00 0.67 H new ATOM 0 HG23 THR A 498 -13.127 -3.021 6.228 1.00 0.67 H new ATOM 418 N LEU A 499 -13.647 0.718 4.190 1.00 0.27 N ATOM 419 CA LEU A 499 -14.310 1.816 3.503 1.00 0.31 C ATOM 420 C LEU A 499 -15.702 1.409 3.044 1.00 0.34 C ATOM 421 O LEU A 499 -15.907 0.304 2.531 1.00 0.39 O ATOM 422 CB LEU A 499 -13.483 2.288 2.303 1.00 0.32 C ATOM 423 CG LEU A 499 -12.055 2.739 2.626 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.349 3.201 1.364 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.054 3.848 3.668 1.00 0.39 C ATOM 0 H LEU A 499 -13.497 -0.114 3.619 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.403 2.640 4.210 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.434 1.478 1.576 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.008 3.115 1.824 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.516 1.886 3.039 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.336 3.518 1.609 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.309 2.380 0.648 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -11.895 4.037 0.927 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -11.028 4.149 3.878 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.613 4.704 3.289 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.521 3.487 4.584 1.00 0.39 H new ATOM 509 N GLY A 506 -16.266 -2.685 1.954 1.00 0.48 N ATOM 510 CA GLY A 506 -15.411 -3.793 2.318 1.00 0.58 C ATOM 511 C GLY A 506 -14.092 -3.350 2.907 1.00 0.45 C ATOM 512 O GLY A 506 -13.947 -2.204 3.342 1.00 0.43 O ATOM 0 HA2 GLY A 506 -15.931 -4.425 3.038 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.222 -4.404 1.436 1.00 0.58 H new ATOM 516 N GLU A 507 -13.131 -4.259 2.907 1.00 0.41 N ATOM 517 CA GLU A 507 -11.829 -4.012 3.501 1.00 0.34 C ATOM 518 C GLU A 507 -10.874 -3.398 2.489 1.00 0.27 C ATOM 519 O GLU A 507 -10.839 -3.800 1.325 1.00 0.30 O ATOM 520 CB GLU A 507 -11.253 -5.315 4.038 1.00 0.42 C ATOM 521 CG GLU A 507 -12.080 -5.921 5.160 1.00 0.56 C ATOM 522 CD GLU A 507 -11.569 -7.273 5.599 1.00 0.78 C ATOM 523 OE1 GLU A 507 -10.558 -7.326 6.330 1.00 1.27 O ATOM 524 OE2 GLU A 507 -12.180 -8.293 5.219 1.00 1.63 O ATOM 0 H GLU A 507 -13.232 -5.187 2.496 1.00 0.41 H new ATOM 0 HA GLU A 507 -11.954 -3.305 4.321 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.178 -6.034 3.222 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.240 -5.135 4.399 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -12.079 -5.243 6.013 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.115 -6.018 4.831 1.00 0.56 H new ATOM 531 N TYR A 508 -10.115 -2.411 2.935 1.00 0.21 N ATOM 532 CA TYR A 508 -9.170 -1.719 2.071 1.00 0.17 C ATOM 533 C TYR A 508 -7.811 -1.595 2.731 1.00 0.15 C ATOM 534 O TYR A 508 -7.682 -1.504 3.953 1.00 0.21 O ATOM 535 CB TYR A 508 -9.696 -0.328 1.697 1.00 0.19 C ATOM 536 CG TYR A 508 -10.892 -0.351 0.769 1.00 0.26 C ATOM 537 CD1 TYR A 508 -10.774 0.032 -0.559 1.00 1.05 C ATOM 538 CD2 TYR A 508 -12.139 -0.756 1.222 1.00 1.38 C ATOM 539 CE1 TYR A 508 -11.864 0.008 -1.408 1.00 1.02 C ATOM 540 CE2 TYR A 508 -13.231 -0.785 0.382 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.090 -0.401 -0.933 1.00 0.45 C ATOM 542 OH TYR A 508 -14.177 -0.430 -1.780 1.00 0.54 O ATOM 0 H TYR A 508 -10.135 -2.069 3.896 1.00 0.21 H new ATOM 0 HA TYR A 508 -9.059 -2.313 1.163 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.967 0.204 2.609 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.893 0.238 1.224 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -9.814 0.354 -0.936 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -12.256 -1.054 2.253 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -11.755 0.309 -2.440 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -14.193 -1.107 0.753 1.00 1.45 H new ATOM 0 HH TYR A 508 -14.966 -0.743 -1.290 1.00 0.54 H new ATOM 552 N LEU A 509 -6.807 -1.616 1.890 1.00 0.19 N ATOM 553 CA LEU A 509 -5.436 -1.475 2.289 1.00 0.26 C ATOM 554 C LEU A 509 -5.122 -0.011 2.549 1.00 0.21 C ATOM 555 O LEU A 509 -5.596 0.865 1.826 1.00 0.19 O ATOM 556 CB LEU A 509 -4.584 -2.050 1.157 1.00 0.43 C ATOM 557 CG LEU A 509 -3.105 -1.704 1.147 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.362 -2.787 0.393 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.867 -0.358 0.483 1.00 1.06 C ATOM 0 H LEU A 509 -6.928 -1.735 0.884 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.226 -2.010 3.215 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.675 -3.136 1.186 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -5.013 -1.719 0.211 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.744 -1.641 2.174 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.297 -2.554 0.376 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.516 -3.746 0.888 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.737 -2.842 -0.629 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.800 -0.133 0.488 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.226 -0.391 -0.546 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.404 0.417 1.029 1.00 1.06 H new ATOM 571 N MET A 510 -4.334 0.249 3.579 1.00 0.22 N ATOM 572 CA MET A 510 -3.937 1.608 3.893 1.00 0.21 C ATOM 573 C MET A 510 -2.435 1.770 3.686 1.00 0.17 C ATOM 574 O MET A 510 -1.633 1.029 4.253 1.00 0.23 O ATOM 575 CB MET A 510 -4.319 1.962 5.331 1.00 0.27 C ATOM 576 CG MET A 510 -4.966 3.332 5.466 1.00 0.31 C ATOM 577 SD MET A 510 -5.408 3.740 7.168 1.00 0.50 S ATOM 578 CE MET A 510 -3.791 3.795 7.939 1.00 1.53 C ATOM 0 H MET A 510 -3.959 -0.461 4.208 1.00 0.22 H new ATOM 0 HA MET A 510 -4.462 2.290 3.224 1.00 0.21 H new ATOM 0 HB2 MET A 510 -5.005 1.206 5.713 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.426 1.927 5.955 1.00 0.27 H new ATOM 0 HG2 MET A 510 -4.283 4.090 5.083 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.862 3.367 4.846 1.00 0.31 H new ATOM 0 HE1 MET A 510 -3.763 4.604 8.669 1.00 1.53 H new ATOM 0 HE2 MET A 510 -3.594 2.847 8.440 1.00 1.53 H new ATOM 0 HE3 MET A 510 -3.030 3.967 7.177 1.00 1.53 H new ATOM 588 N LEU A 511 -2.062 2.715 2.845 1.00 0.15 N ATOM 589 CA LEU A 511 -0.659 2.983 2.566 1.00 0.13 C ATOM 590 C LEU A 511 -0.318 4.429 2.872 1.00 0.14 C ATOM 591 O LEU A 511 -1.176 5.309 2.791 1.00 0.20 O ATOM 592 CB LEU A 511 -0.345 2.670 1.103 1.00 0.17 C ATOM 593 CG LEU A 511 0.497 1.419 0.873 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.197 0.817 -0.485 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.970 1.760 0.964 1.00 0.69 C ATOM 0 H LEU A 511 -2.713 3.315 2.339 1.00 0.15 H new ATOM 0 HA LEU A 511 -0.053 2.342 3.206 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.285 2.561 0.562 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.175 3.524 0.669 1.00 0.17 H new ATOM 0 HG LEU A 511 0.247 0.690 1.644 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.807 -0.074 -0.631 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.858 0.547 -0.538 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.425 1.544 -1.264 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.563 0.860 0.798 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.219 2.503 0.206 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.190 2.162 1.953 1.00 0.69 H new ATOM 607 N THR A 512 0.933 4.668 3.224 1.00 0.15 N ATOM 608 CA THR A 512 1.406 6.014 3.478 1.00 0.19 C ATOM 609 C THR A 512 2.602 6.339 2.603 1.00 0.16 C ATOM 610 O THR A 512 3.570 5.577 2.537 1.00 0.21 O ATOM 611 CB THR A 512 1.769 6.229 4.960 1.00 0.28 C ATOM 612 OG1 THR A 512 2.323 5.030 5.521 1.00 0.58 O ATOM 613 CG2 THR A 512 0.548 6.663 5.752 1.00 0.55 C ATOM 0 H THR A 512 1.641 3.943 3.340 1.00 0.15 H new ATOM 0 HA THR A 512 0.587 6.689 3.232 1.00 0.19 H new ATOM 0 HB THR A 512 2.518 7.019 5.017 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.842 4.558 4.837 1.00 0.58 H new ATOM 0 HG21 THR A 512 0.825 6.810 6.796 1.00 0.55 H new ATOM 0 HG22 THR A 512 0.163 7.598 5.344 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.221 5.894 5.685 1.00 0.55 H new ATOM 621 N TYR A 513 2.512 7.455 1.910 1.00 0.16 N ATOM 622 CA TYR A 513 3.578 7.904 1.039 1.00 0.19 C ATOM 623 C TYR A 513 4.222 9.161 1.601 1.00 0.24 C ATOM 624 O TYR A 513 4.048 9.469 2.784 1.00 0.27 O ATOM 625 CB TYR A 513 3.036 8.157 -0.370 1.00 0.21 C ATOM 626 CG TYR A 513 2.801 6.893 -1.168 1.00 0.19 C ATOM 627 CD1 TYR A 513 3.544 6.625 -2.310 1.00 1.10 C ATOM 628 CD2 TYR A 513 1.842 5.967 -0.779 1.00 1.12 C ATOM 629 CE1 TYR A 513 3.337 5.475 -3.041 1.00 1.08 C ATOM 630 CE2 TYR A 513 1.631 4.813 -1.506 1.00 1.16 C ATOM 631 CZ TYR A 513 2.381 4.573 -2.635 1.00 0.24 C ATOM 632 OH TYR A 513 2.172 3.428 -3.363 1.00 0.28 O ATOM 0 H TYR A 513 1.702 8.074 1.934 1.00 0.16 H new ATOM 0 HA TYR A 513 4.339 7.126 0.981 1.00 0.19 H new ATOM 0 HB2 TYR A 513 2.099 8.708 -0.295 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.737 8.792 -0.911 1.00 0.21 H new ATOM 0 HD1 TYR A 513 4.297 7.330 -2.631 1.00 1.10 H new ATOM 0 HD2 TYR A 513 1.252 6.153 0.106 1.00 1.12 H new ATOM 0 HE1 TYR A 513 3.922 5.283 -3.928 1.00 1.08 H new ATOM 0 HE2 TYR A 513 0.882 4.102 -1.191 1.00 1.16 H new ATOM 0 HH TYR A 513 2.981 3.212 -3.872 1.00 0.28 H new ATOM 642 N ALA A 514 4.972 9.872 0.769 1.00 0.28 N ATOM 643 CA ALA A 514 5.608 11.115 1.186 1.00 0.33 C ATOM 644 C ALA A 514 4.569 12.121 1.672 1.00 0.31 C ATOM 645 O ALA A 514 3.453 12.169 1.149 1.00 0.31 O ATOM 646 CB ALA A 514 6.421 11.699 0.042 1.00 0.43 C ATOM 0 H ALA A 514 5.155 9.609 -0.199 1.00 0.28 H new ATOM 0 HA ALA A 514 6.279 10.895 2.016 1.00 0.33 H new ATOM 0 HB1 ALA A 514 6.891 12.627 0.366 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.191 10.988 -0.257 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.765 11.901 -0.805 1.00 0.43 H new ATOM 652 N ASN A 515 4.943 12.899 2.686 1.00 0.36 N ATOM 653 CA ASN A 515 4.053 13.891 3.295 1.00 0.40 C ATOM 654 C ASN A 515 2.854 13.194 3.949 1.00 0.39 C ATOM 655 O ASN A 515 1.774 13.768 4.086 1.00 0.44 O ATOM 656 CB ASN A 515 3.603 14.929 2.251 1.00 0.43 C ATOM 657 CG ASN A 515 2.938 16.154 2.864 1.00 1.29 C ATOM 658 OD1 ASN A 515 1.715 16.224 2.979 1.00 2.26 O ATOM 659 ND2 ASN A 515 3.741 17.129 3.261 1.00 1.69 N ATOM 0 H ASN A 515 5.870 12.861 3.110 1.00 0.36 H new ATOM 0 HA ASN A 515 4.598 14.425 4.074 1.00 0.40 H new ATOM 0 HB2 ASN A 515 4.468 15.247 1.670 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.908 14.457 1.556 1.00 0.43 H new ATOM 0 HD21 ASN A 515 3.350 17.974 3.678 1.00 1.69 H new ATOM 0 HD22 ASN A 515 4.751 17.035 3.150 1.00 1.69 H new ATOM 666 N ASP A 516 3.067 11.936 4.345 1.00 0.36 N ATOM 667 CA ASP A 516 2.054 11.136 5.035 1.00 0.37 C ATOM 668 C ASP A 516 0.780 11.022 4.210 1.00 0.34 C ATOM 669 O ASP A 516 -0.327 10.994 4.752 1.00 0.41 O ATOM 670 CB ASP A 516 1.743 11.719 6.417 1.00 0.45 C ATOM 671 CG ASP A 516 2.858 11.483 7.415 1.00 0.89 C ATOM 672 OD1 ASP A 516 2.718 10.578 8.267 1.00 1.60 O ATOM 673 OD2 ASP A 516 3.884 12.193 7.352 1.00 1.62 O ATOM 0 H ASP A 516 3.948 11.444 4.196 1.00 0.36 H new ATOM 0 HA ASP A 516 2.463 10.134 5.166 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.565 12.790 6.323 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.822 11.275 6.795 1.00 0.45 H new ATOM 678 N ALA A 517 0.945 10.952 2.898 1.00 0.31 N ATOM 679 CA ALA A 517 -0.185 10.838 1.992 1.00 0.30 C ATOM 680 C ALA A 517 -0.866 9.486 2.159 1.00 0.25 C ATOM 681 O ALA A 517 -0.203 8.448 2.203 1.00 0.23 O ATOM 682 CB ALA A 517 0.265 11.046 0.556 1.00 0.32 C ATOM 0 H ALA A 517 1.854 10.972 2.437 1.00 0.31 H new ATOM 0 HA ALA A 517 -0.909 11.615 2.237 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.593 10.958 -0.111 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.704 12.038 0.452 1.00 0.32 H new ATOM 0 HB3 ALA A 517 1.007 10.292 0.294 1.00 0.32 H new ATOM 688 N LYS A 518 -2.186 9.509 2.252 1.00 0.28 N ATOM 689 CA LYS A 518 -2.964 8.311 2.531 1.00 0.28 C ATOM 690 C LYS A 518 -3.412 7.644 1.236 1.00 0.24 C ATOM 691 O LYS A 518 -4.015 8.284 0.372 1.00 0.38 O ATOM 692 CB LYS A 518 -4.193 8.665 3.372 1.00 0.41 C ATOM 693 CG LYS A 518 -3.877 9.455 4.634 1.00 0.56 C ATOM 694 CD LYS A 518 -3.107 8.630 5.654 1.00 0.64 C ATOM 695 CE LYS A 518 -2.890 9.416 6.937 1.00 0.99 C ATOM 696 NZ LYS A 518 -2.278 8.590 8.010 1.00 1.55 N ATOM 0 H LYS A 518 -2.746 10.353 2.137 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.331 7.617 3.085 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.885 9.242 2.759 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.706 7.745 3.651 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.295 10.338 4.371 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.806 9.807 5.082 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -3.654 7.713 5.873 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -2.144 8.335 5.237 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -2.248 10.273 6.731 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -3.845 9.809 7.285 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -2.150 9.170 8.864 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -2.901 7.786 8.227 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -1.354 8.235 7.691 1.00 1.55 H new ATOM 710 N LEU A 519 -3.108 6.367 1.103 1.00 0.16 N ATOM 711 CA LEU A 519 -3.531 5.592 -0.051 1.00 0.15 C ATOM 712 C LEU A 519 -4.457 4.464 0.380 1.00 0.14 C ATOM 713 O LEU A 519 -4.195 3.788 1.376 1.00 0.21 O ATOM 714 CB LEU A 519 -2.315 5.016 -0.781 1.00 0.20 C ATOM 715 CG LEU A 519 -2.631 4.008 -1.889 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.399 4.673 -3.021 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.354 3.374 -2.408 1.00 0.72 C ATOM 0 H LEU A 519 -2.565 5.839 1.786 1.00 0.16 H new ATOM 0 HA LEU A 519 -4.070 6.252 -0.730 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.748 5.840 -1.214 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.667 4.534 -0.049 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.260 3.223 -1.469 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.613 3.938 -3.797 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.335 5.078 -2.637 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.800 5.481 -3.442 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.596 2.660 -3.195 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.700 4.148 -2.809 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.847 2.858 -1.593 1.00 0.72 H new ATOM 729 N TYR A 520 -5.540 4.274 -0.359 1.00 0.12 N ATOM 730 CA TYR A 520 -6.460 3.180 -0.095 1.00 0.14 C ATOM 731 C TYR A 520 -6.523 2.253 -1.300 1.00 0.16 C ATOM 732 O TYR A 520 -6.806 2.693 -2.415 1.00 0.22 O ATOM 733 CB TYR A 520 -7.862 3.705 0.204 1.00 0.19 C ATOM 734 CG TYR A 520 -7.909 4.787 1.257 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.541 4.527 2.568 1.00 0.96 C ATOM 736 CD2 TYR A 520 -8.333 6.070 0.938 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.595 5.514 3.534 1.00 0.97 C ATOM 738 CE2 TYR A 520 -8.386 7.062 1.896 1.00 1.10 C ATOM 739 CZ TYR A 520 -8.017 6.778 3.190 1.00 0.40 C ATOM 740 OH TYR A 520 -8.074 7.763 4.148 1.00 0.50 O ATOM 0 H TYR A 520 -5.803 4.865 -1.148 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.094 2.635 0.775 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.297 4.092 -0.718 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.488 2.873 0.527 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.206 3.537 2.839 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -8.626 6.295 -0.077 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.308 5.295 4.552 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -8.715 8.056 1.631 1.00 1.10 H new ATOM 0 HH TYR A 520 -8.391 8.597 3.742 1.00 0.50 H new ATOM 750 N VAL A 521 -6.252 0.980 -1.079 1.00 0.17 N ATOM 751 CA VAL A 521 -6.316 -0.007 -2.148 1.00 0.17 C ATOM 752 C VAL A 521 -7.284 -1.125 -1.778 1.00 0.18 C ATOM 753 O VAL A 521 -7.152 -1.746 -0.728 1.00 0.20 O ATOM 754 CB VAL A 521 -4.927 -0.609 -2.459 1.00 0.19 C ATOM 755 CG1 VAL A 521 -5.032 -1.681 -3.533 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.955 0.481 -2.888 1.00 0.28 C ATOM 0 H VAL A 521 -5.985 0.602 -0.170 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.671 0.506 -3.042 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.546 -1.073 -1.549 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -4.043 -2.091 -3.736 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.691 -2.478 -3.189 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.438 -1.244 -4.445 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -2.983 0.038 -3.103 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.334 0.975 -3.783 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.851 1.212 -2.086 1.00 0.28 H new ATOM 766 N PRO A 522 -8.281 -1.383 -2.631 1.00 0.19 N ATOM 767 CA PRO A 522 -9.274 -2.427 -2.383 1.00 0.22 C ATOM 768 C PRO A 522 -8.647 -3.815 -2.382 1.00 0.20 C ATOM 769 O PRO A 522 -7.722 -4.090 -3.151 1.00 0.19 O ATOM 770 CB PRO A 522 -10.261 -2.282 -3.545 1.00 0.25 C ATOM 771 CG PRO A 522 -9.528 -1.535 -4.605 1.00 0.22 C ATOM 772 CD PRO A 522 -8.507 -0.684 -3.907 1.00 0.19 C ATOM 0 HA PRO A 522 -9.744 -2.319 -1.406 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.586 -3.257 -3.907 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -11.156 -1.743 -3.234 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -9.048 -2.223 -5.301 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.213 -0.918 -5.187 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.588 -0.604 -4.488 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.873 0.330 -3.748 1.00 0.19 H new ATOM 780 N VAL A 523 -9.160 -4.689 -1.525 1.00 0.22 N ATOM 781 CA VAL A 523 -8.624 -6.040 -1.391 1.00 0.24 C ATOM 782 C VAL A 523 -8.876 -6.881 -2.642 1.00 0.25 C ATOM 783 O VAL A 523 -8.370 -7.992 -2.768 1.00 0.32 O ATOM 784 CB VAL A 523 -9.192 -6.768 -0.153 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.634 -6.157 1.124 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.715 -6.726 -0.143 1.00 0.30 C ATOM 0 H VAL A 523 -9.949 -4.487 -0.910 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.548 -5.925 -1.261 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.884 -7.812 -0.204 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -9.044 -6.681 1.987 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.548 -6.248 1.126 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.910 -5.104 1.174 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -11.088 -7.246 0.740 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -11.050 -5.689 -0.122 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -11.098 -7.213 -1.040 1.00 0.30 H new ATOM 796 N SER A 524 -9.656 -6.343 -3.569 1.00 0.24 N ATOM 797 CA SER A 524 -9.895 -7.003 -4.840 1.00 0.28 C ATOM 798 C SER A 524 -8.867 -6.547 -5.879 1.00 0.28 C ATOM 799 O SER A 524 -8.831 -7.054 -7.001 1.00 0.37 O ATOM 800 CB SER A 524 -11.313 -6.699 -5.326 1.00 0.36 C ATOM 801 OG SER A 524 -11.670 -7.512 -6.428 1.00 1.34 O ATOM 0 H SER A 524 -10.134 -5.448 -3.462 1.00 0.24 H new ATOM 0 HA SER A 524 -9.792 -8.079 -4.703 1.00 0.28 H new ATOM 0 HB2 SER A 524 -12.020 -6.858 -4.511 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.384 -5.649 -5.609 1.00 0.36 H new ATOM 0 HG SER A 524 -10.879 -7.676 -6.983 1.00 1.34 H new ATOM 807 N SER A 525 -8.027 -5.593 -5.498 1.00 0.24 N ATOM 808 CA SER A 525 -6.997 -5.071 -6.386 1.00 0.25 C ATOM 809 C SER A 525 -5.612 -5.269 -5.770 1.00 0.24 C ATOM 810 O SER A 525 -4.664 -4.550 -6.090 1.00 0.27 O ATOM 811 CB SER A 525 -7.246 -3.589 -6.670 1.00 0.27 C ATOM 812 OG SER A 525 -8.542 -3.388 -7.218 1.00 0.28 O ATOM 0 H SER A 525 -8.040 -5.163 -4.573 1.00 0.24 H new ATOM 0 HA SER A 525 -7.038 -5.619 -7.327 1.00 0.25 H new ATOM 0 HB2 SER A 525 -7.144 -3.016 -5.748 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.492 -3.216 -7.363 1.00 0.27 H new ATOM 0 HG SER A 525 -8.623 -2.465 -7.537 1.00 0.28 H new ATOM 818 N LEU A 526 -5.511 -6.259 -4.889 1.00 0.25 N ATOM 819 CA LEU A 526 -4.269 -6.542 -4.177 1.00 0.26 C ATOM 820 C LEU A 526 -3.158 -6.966 -5.128 1.00 0.30 C ATOM 821 O LEU A 526 -1.998 -6.630 -4.919 1.00 0.39 O ATOM 822 CB LEU A 526 -4.499 -7.632 -3.127 1.00 0.31 C ATOM 823 CG LEU A 526 -5.404 -7.238 -1.959 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.625 -8.420 -1.027 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.810 -6.062 -1.196 1.00 0.46 C ATOM 0 H LEU A 526 -6.281 -6.884 -4.649 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.955 -5.622 -3.684 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.930 -8.503 -3.621 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.532 -7.938 -2.728 1.00 0.31 H new ATOM 0 HG LEU A 526 -6.370 -6.935 -2.363 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -6.271 -8.118 -0.203 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -6.096 -9.234 -1.578 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.666 -8.756 -0.632 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -5.468 -5.796 -0.369 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.830 -6.339 -0.806 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.706 -5.209 -1.866 1.00 0.46 H new ATOM 837 N HIS A 527 -3.516 -7.668 -6.195 1.00 0.31 N ATOM 838 CA HIS A 527 -2.520 -8.205 -7.121 1.00 0.41 C ATOM 839 C HIS A 527 -1.850 -7.103 -7.941 1.00 0.44 C ATOM 840 O HIS A 527 -0.967 -7.374 -8.753 1.00 0.64 O ATOM 841 CB HIS A 527 -3.142 -9.253 -8.048 1.00 0.50 C ATOM 842 CG HIS A 527 -3.462 -10.542 -7.354 1.00 1.49 C ATOM 843 ND1 HIS A 527 -2.684 -11.675 -7.473 1.00 2.24 N ATOM 844 CD2 HIS A 527 -4.479 -10.874 -6.523 1.00 2.53 C ATOM 845 CE1 HIS A 527 -3.208 -12.643 -6.746 1.00 3.18 C ATOM 846 NE2 HIS A 527 -4.296 -12.183 -6.161 1.00 3.40 N ATOM 0 H HIS A 527 -4.483 -7.880 -6.443 1.00 0.31 H new ATOM 0 HA HIS A 527 -1.750 -8.684 -6.517 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -4.055 -8.847 -8.484 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -2.457 -9.452 -8.872 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -5.284 -10.228 -6.205 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -2.813 -13.643 -6.647 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -4.904 -12.716 -5.539 1.00 3.40 H new ATOM 855 N LEU A 528 -2.268 -5.864 -7.727 1.00 0.33 N ATOM 856 CA LEU A 528 -1.626 -4.728 -8.361 1.00 0.38 C ATOM 857 C LEU A 528 -0.523 -4.179 -7.457 1.00 0.41 C ATOM 858 O LEU A 528 0.303 -3.370 -7.882 1.00 0.57 O ATOM 859 CB LEU A 528 -2.651 -3.635 -8.665 1.00 0.36 C ATOM 860 CG LEU A 528 -3.798 -4.046 -9.591 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.750 -2.879 -9.801 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.260 -4.540 -10.926 1.00 0.42 C ATOM 0 H LEU A 528 -3.050 -5.622 -7.118 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.183 -5.058 -9.301 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -3.075 -3.287 -7.723 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -2.131 -2.788 -9.113 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.345 -4.862 -9.120 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.561 -3.185 -10.462 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -5.162 -2.568 -8.841 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -4.210 -2.046 -10.251 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.092 -4.827 -11.570 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.689 -3.745 -11.405 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.614 -5.402 -10.761 1.00 0.42 H new ATOM 874 N ILE A 529 -0.528 -4.618 -6.204 1.00 0.31 N ATOM 875 CA ILE A 529 0.483 -4.221 -5.239 1.00 0.29 C ATOM 876 C ILE A 529 1.579 -5.277 -5.155 1.00 0.31 C ATOM 877 O ILE A 529 1.303 -6.478 -5.149 1.00 0.42 O ATOM 878 CB ILE A 529 -0.146 -4.030 -3.847 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.371 -3.120 -3.953 1.00 0.32 C ATOM 880 CG2 ILE A 529 0.870 -3.453 -2.868 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.037 -1.677 -4.265 1.00 0.43 C ATOM 0 H ILE A 529 -1.231 -5.257 -5.832 1.00 0.31 H new ATOM 0 HA ILE A 529 0.915 -3.277 -5.570 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.460 -5.002 -3.468 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -2.032 -3.506 -4.729 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.924 -3.160 -3.014 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.403 -3.327 -1.891 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.717 -4.133 -2.780 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.217 -2.486 -3.232 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -1.957 -1.095 -4.324 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.402 -1.272 -3.477 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.512 -1.623 -5.219 1.00 0.43 H new ATOM 893 N SER A 530 2.818 -4.829 -5.100 1.00 0.31 N ATOM 894 CA SER A 530 3.955 -5.727 -5.033 1.00 0.37 C ATOM 895 C SER A 530 4.899 -5.308 -3.932 1.00 0.31 C ATOM 896 O SER A 530 5.052 -4.128 -3.646 1.00 0.35 O ATOM 897 CB SER A 530 4.669 -5.746 -6.384 1.00 0.45 C ATOM 898 OG SER A 530 3.919 -6.467 -7.349 1.00 0.99 O ATOM 0 H SER A 530 3.064 -3.839 -5.100 1.00 0.31 H new ATOM 0 HA SER A 530 3.604 -6.733 -4.804 1.00 0.37 H new ATOM 0 HB2 SER A 530 4.826 -4.724 -6.730 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.654 -6.199 -6.272 1.00 0.45 H new ATOM 0 HG SER A 530 4.397 -6.463 -8.205 1.00 0.99 H new ATOM 904 N ARG A 531 5.509 -6.283 -3.295 1.00 0.39 N ATOM 905 CA ARG A 531 6.433 -6.004 -2.225 1.00 0.42 C ATOM 906 C ARG A 531 7.798 -5.661 -2.801 1.00 0.36 C ATOM 907 O ARG A 531 8.252 -6.325 -3.735 1.00 0.41 O ATOM 908 CB ARG A 531 6.530 -7.199 -1.285 1.00 0.57 C ATOM 909 CG ARG A 531 7.283 -6.879 -0.020 1.00 0.54 C ATOM 910 CD ARG A 531 7.347 -8.070 0.921 1.00 0.95 C ATOM 911 NE ARG A 531 7.933 -9.248 0.283 1.00 1.31 N ATOM 912 CZ ARG A 531 8.770 -10.090 0.888 1.00 1.92 C ATOM 913 NH1 ARG A 531 9.187 -9.854 2.130 1.00 2.47 N ATOM 914 NH2 ARG A 531 9.198 -11.165 0.237 1.00 2.51 N ATOM 0 H ARG A 531 5.380 -7.274 -3.501 1.00 0.39 H new ATOM 0 HA ARG A 531 6.070 -5.150 -1.653 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.526 -7.539 -1.030 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.025 -8.023 -1.800 1.00 0.57 H new ATOM 0 HG2 ARG A 531 8.295 -6.561 -0.271 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.802 -6.042 0.486 1.00 0.54 H new ATOM 0 HD2 ARG A 531 7.935 -7.805 1.800 1.00 0.95 H new ATOM 0 HD3 ARG A 531 6.342 -8.310 1.270 1.00 0.95 H new ATOM 0 HE ARG A 531 7.685 -9.437 -0.688 1.00 1.31 H new ATOM 0 HH11 ARG A 531 8.866 -9.023 2.627 1.00 2.47 H new ATOM 0 HH12 ARG A 531 9.828 -10.504 2.585 1.00 2.47 H new ATOM 0 HH21 ARG A 531 8.886 -11.341 -0.718 1.00 2.51 H new ATOM 0 HH22 ARG A 531 9.839 -11.815 0.692 1.00 2.51 H new ATOM 928 N TYR A 532 8.428 -4.620 -2.259 1.00 0.37 N ATOM 929 CA TYR A 532 9.661 -4.076 -2.820 1.00 0.50 C ATOM 930 C TYR A 532 10.695 -5.171 -3.074 1.00 0.77 C ATOM 931 O TYR A 532 11.040 -5.442 -4.229 1.00 1.57 O ATOM 932 CB TYR A 532 10.238 -3.010 -1.890 1.00 0.57 C ATOM 933 CG TYR A 532 11.251 -2.117 -2.564 1.00 0.48 C ATOM 934 CD1 TYR A 532 10.844 -0.974 -3.235 1.00 1.43 C ATOM 935 CD2 TYR A 532 12.603 -2.423 -2.543 1.00 1.15 C ATOM 936 CE1 TYR A 532 11.759 -0.158 -3.871 1.00 1.48 C ATOM 937 CE2 TYR A 532 13.526 -1.611 -3.173 1.00 1.24 C ATOM 938 CZ TYR A 532 13.100 -0.481 -3.837 1.00 0.77 C ATOM 939 OH TYR A 532 14.020 0.324 -4.474 1.00 1.01 O ATOM 0 H TYR A 532 8.100 -4.134 -1.425 1.00 0.37 H new ATOM 0 HA TYR A 532 9.417 -3.621 -3.780 1.00 0.50 H new ATOM 0 HB2 TYR A 532 9.425 -2.397 -1.502 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.706 -3.498 -1.035 1.00 0.57 H new ATOM 0 HD1 TYR A 532 9.795 -0.718 -3.261 1.00 1.43 H new ATOM 0 HD2 TYR A 532 12.940 -3.310 -2.026 1.00 1.15 H new ATOM 0 HE1 TYR A 532 11.427 0.728 -4.392 1.00 1.48 H new ATOM 0 HE2 TYR A 532 14.576 -1.860 -3.145 1.00 1.24 H new ATOM 0 HH TYR A 532 14.919 -0.046 -4.351 1.00 1.01 H new ATOM 1027 N ALA A 540 14.549 1.653 1.474 1.00 0.59 N ATOM 1028 CA ALA A 540 13.675 1.717 0.314 1.00 0.51 C ATOM 1029 C ALA A 540 13.072 3.111 0.202 1.00 0.47 C ATOM 1030 O ALA A 540 12.654 3.693 1.207 1.00 0.51 O ATOM 1031 CB ALA A 540 12.581 0.664 0.411 1.00 0.47 C ATOM 0 HA ALA A 540 14.260 1.513 -0.583 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.937 0.727 -0.466 1.00 0.47 H new ATOM 0 HB2 ALA A 540 13.033 -0.327 0.459 1.00 0.47 H new ATOM 0 HB3 ALA A 540 11.989 0.836 1.310 1.00 0.47 H new ATOM 1037 N PRO A 541 13.025 3.656 -1.020 1.00 0.46 N ATOM 1038 CA PRO A 541 12.592 5.035 -1.261 1.00 0.45 C ATOM 1039 C PRO A 541 11.095 5.226 -1.048 1.00 0.45 C ATOM 1040 O PRO A 541 10.346 4.259 -0.920 1.00 0.60 O ATOM 1041 CB PRO A 541 12.961 5.270 -2.727 1.00 0.49 C ATOM 1042 CG PRO A 541 12.940 3.913 -3.344 1.00 0.53 C ATOM 1043 CD PRO A 541 13.375 2.958 -2.271 1.00 0.52 C ATOM 0 HA PRO A 541 13.063 5.734 -0.570 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.249 5.937 -3.213 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.944 5.732 -2.819 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.942 3.665 -3.705 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.610 3.865 -4.202 1.00 0.53 H new ATOM 0 HD2 PRO A 541 12.860 2.001 -2.353 1.00 0.52 H new ATOM 0 HD3 PRO A 541 14.444 2.751 -2.329 1.00 0.52 H new ATOM 1051 N LEU A 542 10.663 6.475 -1.019 1.00 0.37 N ATOM 1052 CA LEU A 542 9.265 6.788 -0.780 1.00 0.38 C ATOM 1053 C LEU A 542 8.748 7.767 -1.827 1.00 0.35 C ATOM 1054 O LEU A 542 9.283 8.868 -1.975 1.00 0.43 O ATOM 1055 CB LEU A 542 9.099 7.377 0.622 1.00 0.49 C ATOM 1056 CG LEU A 542 7.658 7.573 1.089 1.00 0.58 C ATOM 1057 CD1 LEU A 542 6.930 6.240 1.130 1.00 0.60 C ATOM 1058 CD2 LEU A 542 7.631 8.238 2.455 1.00 1.40 C ATOM 0 H LEU A 542 11.261 7.289 -1.158 1.00 0.37 H new ATOM 0 HA LEU A 542 8.683 5.869 -0.853 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.607 6.725 1.333 1.00 0.49 H new ATOM 0 HB3 LEU A 542 9.607 8.341 0.654 1.00 0.49 H new ATOM 0 HG LEU A 542 7.147 8.223 0.379 1.00 0.58 H new ATOM 0 HD11 LEU A 542 5.904 6.396 1.465 1.00 0.60 H new ATOM 0 HD12 LEU A 542 6.923 5.798 0.134 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.439 5.568 1.821 1.00 0.60 H new ATOM 0 HD21 LEU A 542 6.597 8.371 2.775 1.00 1.40 H new ATOM 0 HD22 LEU A 542 8.156 7.611 3.176 1.00 1.40 H new ATOM 0 HD23 LEU A 542 8.121 9.210 2.396 1.00 1.40 H new ATOM 1070 N HIS A 543 7.718 7.355 -2.556 1.00 0.31 N ATOM 1071 CA HIS A 543 7.107 8.200 -3.578 1.00 0.32 C ATOM 1072 C HIS A 543 6.027 9.085 -2.968 1.00 0.29 C ATOM 1073 O HIS A 543 5.621 8.882 -1.824 1.00 0.33 O ATOM 1074 CB HIS A 543 6.513 7.347 -4.703 1.00 0.43 C ATOM 1075 CG HIS A 543 7.526 6.878 -5.705 1.00 0.62 C ATOM 1076 ND1 HIS A 543 7.197 6.507 -6.993 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.868 6.721 -5.604 1.00 1.25 C ATOM 1078 CE1 HIS A 543 8.291 6.144 -7.637 1.00 1.06 C ATOM 1079 NE2 HIS A 543 9.316 6.264 -6.816 1.00 1.47 N ATOM 0 H HIS A 543 7.286 6.436 -2.458 1.00 0.31 H new ATOM 0 HA HIS A 543 7.885 8.837 -3.998 1.00 0.32 H new ATOM 0 HB2 HIS A 543 6.019 6.479 -4.266 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.746 7.925 -5.219 1.00 0.43 H new ATOM 0 HD1 HIS A 543 6.256 6.512 -7.386 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.472 6.919 -4.731 1.00 1.25 H new ATOM 0 HE1 HIS A 543 8.338 5.806 -8.662 1.00 1.06 H new ATOM 1088 N LYS A 544 5.581 10.076 -3.726 1.00 0.35 N ATOM 1089 CA LYS A 544 4.559 11.000 -3.260 1.00 0.44 C ATOM 1090 C LYS A 544 3.242 10.750 -3.992 1.00 0.43 C ATOM 1091 O LYS A 544 3.230 10.216 -5.103 1.00 0.61 O ATOM 1092 CB LYS A 544 5.019 12.445 -3.485 1.00 0.67 C ATOM 1093 CG LYS A 544 4.079 13.488 -2.900 1.00 1.35 C ATOM 1094 CD LYS A 544 4.469 14.893 -3.321 1.00 1.77 C ATOM 1095 CE LYS A 544 3.485 15.925 -2.792 1.00 2.62 C ATOM 1096 NZ LYS A 544 3.766 17.283 -3.326 1.00 3.40 N ATOM 0 H LYS A 544 5.914 10.261 -4.672 1.00 0.35 H new ATOM 0 HA LYS A 544 4.401 10.838 -2.194 1.00 0.44 H new ATOM 0 HB2 LYS A 544 6.008 12.574 -3.045 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.121 12.621 -4.556 1.00 0.67 H new ATOM 0 HG2 LYS A 544 3.059 13.281 -3.223 1.00 1.35 H new ATOM 0 HG3 LYS A 544 4.089 13.418 -1.812 1.00 1.35 H new ATOM 0 HD2 LYS A 544 5.469 15.120 -2.953 1.00 1.77 H new ATOM 0 HD3 LYS A 544 4.509 14.950 -4.409 1.00 1.77 H new ATOM 0 HE2 LYS A 544 2.471 15.631 -3.062 1.00 2.62 H new ATOM 0 HE3 LYS A 544 3.531 15.946 -1.703 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 3.074 17.957 -2.942 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 4.725 17.574 -3.047 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 3.697 17.269 -4.364 1.00 3.40 H new ATOM 1110 N LEU A 545 2.134 11.120 -3.360 1.00 0.44 N ATOM 1111 CA LEU A 545 0.822 11.015 -3.980 1.00 0.58 C ATOM 1112 C LEU A 545 0.314 12.404 -4.341 1.00 0.66 C ATOM 1113 O LEU A 545 0.727 13.395 -3.738 1.00 1.04 O ATOM 1114 CB LEU A 545 -0.164 10.318 -3.040 1.00 1.01 C ATOM 1115 CG LEU A 545 0.244 8.910 -2.602 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -0.773 8.335 -1.631 1.00 0.85 C ATOM 1117 CD2 LEU A 545 0.398 7.998 -3.808 1.00 0.67 C ATOM 0 H LEU A 545 2.121 11.497 -2.413 1.00 0.44 H new ATOM 0 HA LEU A 545 0.908 10.417 -4.887 1.00 0.58 H new ATOM 0 HB2 LEU A 545 -0.293 10.935 -2.151 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -1.135 10.262 -3.533 1.00 1.01 H new ATOM 0 HG LEU A 545 1.206 8.977 -2.094 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -0.464 7.333 -1.332 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -0.836 8.974 -0.750 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -1.749 8.285 -2.114 1.00 0.85 H new ATOM 0 HD21 LEU A 545 0.688 7.001 -3.476 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -0.549 7.940 -4.344 1.00 0.67 H new ATOM 0 HD23 LEU A 545 1.166 8.398 -4.471 1.00 0.67 H new