USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=16 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 Single : A 478 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 481 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.54) USER MOD Single : A 485 HIS : no HD1:sc= -0.029 K(o=-0.029,f=-0.62) USER MOD Single : A 488 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 493 TYR OH : rot -150:sc= -0.396 USER MOD Single : A 496 MET CE :methyl -162:sc= -0.137 (180deg=-0.658) USER MOD Single : A 497 THR OG1 : rot 180:sc= 0 USER MOD Single : A 498 THR OG1 : rot 180:sc= 0.039 USER MOD Single : A 508 TYR OH : rot 180:sc= 0 USER MOD Single : A 510 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 512 THR OG1 : rot 35:sc= 0.508 USER MOD Single : A 513 TYR OH : rot -148:sc= 1.25 USER MOD Single : A 515 ASN :FLIP amide:sc= -0.335 F(o=-1.3,f=-0.34) USER MOD Single : A 518 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.996) USER MOD Single : A 520 TYR OH : rot 180:sc= 0 USER MOD Single : A 524 SER OG : rot 180:sc= 0 USER MOD Single : A 525 SER OG : rot 180:sc= -0.428 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= 1.01 K(o=1,f=-3.1!) USER MOD Single : A 544 LYS NZ :NH3+ -166:sc= -0.0119 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 85 N LEU A 477 1.648 -9.106 4.639 1.00 0.62 N ATOM 86 CA LEU A 477 1.975 -7.695 4.749 1.00 0.41 C ATOM 87 C LEU A 477 2.202 -7.296 6.194 1.00 0.48 C ATOM 88 O LEU A 477 1.371 -7.558 7.068 1.00 0.70 O ATOM 89 CB LEU A 477 0.866 -6.840 4.145 1.00 0.33 C ATOM 90 CG LEU A 477 0.774 -6.884 2.624 1.00 0.27 C ATOM 91 CD1 LEU A 477 -0.461 -6.140 2.149 1.00 0.32 C ATOM 92 CD2 LEU A 477 2.023 -6.289 1.995 1.00 0.34 C ATOM 0 HA LEU A 477 2.898 -7.525 4.195 1.00 0.41 H new ATOM 0 HB2 LEU A 477 -0.088 -7.163 4.561 1.00 0.33 H new ATOM 0 HB3 LEU A 477 1.016 -5.806 4.455 1.00 0.33 H new ATOM 0 HG LEU A 477 0.695 -7.926 2.314 1.00 0.27 H new ATOM 0 HD11 LEU A 477 -0.514 -6.180 1.061 1.00 0.32 H new ATOM 0 HD12 LEU A 477 -1.351 -6.605 2.573 1.00 0.32 H new ATOM 0 HD13 LEU A 477 -0.406 -5.100 2.472 1.00 0.32 H new ATOM 0 HD21 LEU A 477 1.938 -6.330 0.909 1.00 0.34 H new ATOM 0 HD22 LEU A 477 2.131 -5.252 2.312 1.00 0.34 H new ATOM 0 HD23 LEU A 477 2.897 -6.858 2.312 1.00 0.34 H new ATOM 104 N HIS A 478 3.335 -6.669 6.432 1.00 0.41 N ATOM 105 CA HIS A 478 3.693 -6.205 7.758 1.00 0.48 C ATOM 106 C HIS A 478 3.700 -4.685 7.788 1.00 0.36 C ATOM 107 O HIS A 478 3.881 -4.037 6.757 1.00 0.30 O ATOM 108 CB HIS A 478 5.055 -6.775 8.164 1.00 0.63 C ATOM 109 CG HIS A 478 5.044 -8.267 8.287 1.00 1.07 C ATOM 110 ND1 HIS A 478 5.943 -9.092 7.649 1.00 1.59 N ATOM 111 CD2 HIS A 478 4.217 -9.083 8.976 1.00 1.83 C ATOM 112 CE1 HIS A 478 5.667 -10.348 7.941 1.00 1.99 C ATOM 113 NE2 HIS A 478 4.623 -10.371 8.747 1.00 2.14 N ATOM 0 H HIS A 478 4.032 -6.467 5.715 1.00 0.41 H new ATOM 0 HA HIS A 478 2.954 -6.556 8.478 1.00 0.48 H new ATOM 0 HB2 HIS A 478 5.802 -6.481 7.426 1.00 0.63 H new ATOM 0 HB3 HIS A 478 5.358 -6.338 9.116 1.00 0.63 H new ATOM 0 HD2 HIS A 478 3.387 -8.776 9.595 1.00 1.83 H new ATOM 0 HE1 HIS A 478 6.205 -11.212 7.581 1.00 1.99 H new ATOM 0 HE2 HIS A 478 4.190 -11.209 9.135 1.00 2.14 H new ATOM 122 N ILE A 479 3.492 -4.126 8.969 1.00 0.37 N ATOM 123 CA ILE A 479 3.300 -2.692 9.117 1.00 0.34 C ATOM 124 C ILE A 479 4.603 -1.927 8.911 1.00 0.31 C ATOM 125 O ILE A 479 5.636 -2.272 9.488 1.00 0.35 O ATOM 126 CB ILE A 479 2.736 -2.342 10.509 1.00 0.44 C ATOM 127 CG1 ILE A 479 1.521 -3.218 10.840 1.00 0.54 C ATOM 128 CG2 ILE A 479 2.372 -0.865 10.572 1.00 0.51 C ATOM 129 CD1 ILE A 479 0.382 -3.104 9.848 1.00 0.56 C ATOM 0 H ILE A 479 3.452 -4.647 9.845 1.00 0.37 H new ATOM 0 HA ILE A 479 2.585 -2.395 8.350 1.00 0.34 H new ATOM 0 HB ILE A 479 3.505 -2.541 11.255 1.00 0.44 H new ATOM 0 HG12 ILE A 479 1.841 -4.259 10.890 1.00 0.54 H new ATOM 0 HG13 ILE A 479 1.153 -2.950 11.830 1.00 0.54 H new ATOM 0 HG21 ILE A 479 1.975 -0.630 11.560 1.00 0.51 H new ATOM 0 HG22 ILE A 479 3.261 -0.263 10.386 1.00 0.51 H new ATOM 0 HG23 ILE A 479 1.619 -0.643 9.816 1.00 0.51 H new ATOM 0 HD11 ILE A 479 -0.436 -3.755 10.157 1.00 0.56 H new ATOM 0 HD12 ILE A 479 0.031 -2.073 9.814 1.00 0.56 H new ATOM 0 HD13 ILE A 479 0.730 -3.402 8.859 1.00 0.56 H new ATOM 141 N GLY A 480 4.541 -0.891 8.084 1.00 0.30 N ATOM 142 CA GLY A 480 5.685 -0.032 7.876 1.00 0.38 C ATOM 143 C GLY A 480 6.591 -0.533 6.771 1.00 0.41 C ATOM 144 O GLY A 480 7.677 0.008 6.556 1.00 0.63 O ATOM 0 H GLY A 480 3.711 -0.631 7.551 1.00 0.30 H new ATOM 0 HA2 GLY A 480 5.341 0.973 7.632 1.00 0.38 H new ATOM 0 HA3 GLY A 480 6.254 0.042 8.803 1.00 0.38 H new ATOM 148 N GLN A 481 6.141 -1.548 6.050 1.00 0.28 N ATOM 149 CA GLN A 481 6.965 -2.159 5.028 1.00 0.35 C ATOM 150 C GLN A 481 6.695 -1.544 3.666 1.00 0.30 C ATOM 151 O GLN A 481 5.577 -1.114 3.374 1.00 0.30 O ATOM 152 CB GLN A 481 6.743 -3.668 4.990 1.00 0.42 C ATOM 153 CG GLN A 481 7.247 -4.375 6.235 1.00 1.02 C ATOM 154 CD GLN A 481 8.654 -3.952 6.620 1.00 1.43 C ATOM 155 OE1 GLN A 481 8.843 -3.005 7.386 1.00 2.34 O ATOM 156 NE2 GLN A 481 9.648 -4.646 6.095 1.00 1.79 N ATOM 0 H GLN A 481 5.215 -1.962 6.155 1.00 0.28 H new ATOM 0 HA GLN A 481 8.008 -1.969 5.281 1.00 0.35 H new ATOM 0 HB2 GLN A 481 5.679 -3.870 4.871 1.00 0.42 H new ATOM 0 HB3 GLN A 481 7.246 -4.081 4.116 1.00 0.42 H new ATOM 0 HG2 GLN A 481 6.570 -4.169 7.064 1.00 1.02 H new ATOM 0 HG3 GLN A 481 7.228 -5.452 6.069 1.00 1.02 H new ATOM 0 HE21 GLN A 481 9.450 -5.423 5.465 1.00 1.79 H new ATOM 0 HE22 GLN A 481 10.613 -4.405 6.320 1.00 1.79 H new ATOM 165 N PRO A 482 7.732 -1.481 2.826 1.00 0.33 N ATOM 166 CA PRO A 482 7.640 -0.882 1.499 1.00 0.30 C ATOM 167 C PRO A 482 6.957 -1.793 0.483 1.00 0.28 C ATOM 168 O PRO A 482 7.393 -2.922 0.236 1.00 0.33 O ATOM 169 CB PRO A 482 9.102 -0.656 1.124 1.00 0.34 C ATOM 170 CG PRO A 482 9.848 -1.727 1.843 1.00 0.40 C ATOM 171 CD PRO A 482 9.086 -1.989 3.115 1.00 0.43 C ATOM 0 HA PRO A 482 7.035 0.025 1.501 1.00 0.30 H new ATOM 0 HB2 PRO A 482 9.250 -0.726 0.046 1.00 0.34 H new ATOM 0 HB3 PRO A 482 9.440 0.335 1.428 1.00 0.34 H new ATOM 0 HG2 PRO A 482 9.914 -2.630 1.236 1.00 0.40 H new ATOM 0 HG3 PRO A 482 10.869 -1.412 2.059 1.00 0.40 H new ATOM 0 HD2 PRO A 482 9.071 -3.051 3.360 1.00 0.43 H new ATOM 0 HD3 PRO A 482 9.534 -1.472 3.963 1.00 0.43 H new ATOM 179 N VAL A 483 5.883 -1.291 -0.103 1.00 0.24 N ATOM 180 CA VAL A 483 5.162 -2.006 -1.142 1.00 0.24 C ATOM 181 C VAL A 483 4.880 -1.066 -2.306 1.00 0.27 C ATOM 182 O VAL A 483 4.698 0.135 -2.109 1.00 0.39 O ATOM 183 CB VAL A 483 3.835 -2.610 -0.624 1.00 0.23 C ATOM 184 CG1 VAL A 483 4.102 -3.744 0.352 1.00 0.29 C ATOM 185 CG2 VAL A 483 2.971 -1.543 0.029 1.00 0.25 C ATOM 0 H VAL A 483 5.488 -0.379 0.127 1.00 0.24 H new ATOM 0 HA VAL A 483 5.791 -2.834 -1.470 1.00 0.24 H new ATOM 0 HB VAL A 483 3.294 -3.012 -1.481 1.00 0.23 H new ATOM 0 HG11 VAL A 483 3.154 -4.153 0.703 1.00 0.29 H new ATOM 0 HG12 VAL A 483 4.673 -4.527 -0.147 1.00 0.29 H new ATOM 0 HG13 VAL A 483 4.671 -3.366 1.202 1.00 0.29 H new ATOM 0 HG21 VAL A 483 2.044 -1.993 0.385 1.00 0.25 H new ATOM 0 HG22 VAL A 483 3.508 -1.105 0.870 1.00 0.25 H new ATOM 0 HG23 VAL A 483 2.741 -0.765 -0.699 1.00 0.25 H new ATOM 195 N VAL A 484 4.866 -1.601 -3.513 1.00 0.28 N ATOM 196 CA VAL A 484 4.687 -0.777 -4.694 1.00 0.31 C ATOM 197 C VAL A 484 3.272 -0.857 -5.235 1.00 0.28 C ATOM 198 O VAL A 484 2.683 -1.933 -5.354 1.00 0.29 O ATOM 199 CB VAL A 484 5.682 -1.131 -5.817 1.00 0.35 C ATOM 200 CG1 VAL A 484 7.099 -0.811 -5.386 1.00 0.42 C ATOM 201 CG2 VAL A 484 5.561 -2.589 -6.215 1.00 0.31 C ATOM 0 H VAL A 484 4.976 -2.597 -3.701 1.00 0.28 H new ATOM 0 HA VAL A 484 4.884 0.244 -4.368 1.00 0.31 H new ATOM 0 HB VAL A 484 5.438 -0.525 -6.690 1.00 0.35 H new ATOM 0 HG11 VAL A 484 7.790 -1.066 -6.189 1.00 0.42 H new ATOM 0 HG12 VAL A 484 7.180 0.253 -5.162 1.00 0.42 H new ATOM 0 HG13 VAL A 484 7.348 -1.389 -4.496 1.00 0.42 H new ATOM 0 HG21 VAL A 484 6.275 -2.810 -7.009 1.00 0.31 H new ATOM 0 HG22 VAL A 484 5.771 -3.220 -5.352 1.00 0.31 H new ATOM 0 HG23 VAL A 484 4.550 -2.786 -6.571 1.00 0.31 H new ATOM 211 N HIS A 485 2.738 0.302 -5.540 1.00 0.34 N ATOM 212 CA HIS A 485 1.447 0.424 -6.186 1.00 0.29 C ATOM 213 C HIS A 485 1.686 0.568 -7.678 1.00 0.24 C ATOM 214 O HIS A 485 2.306 1.534 -8.102 1.00 0.29 O ATOM 215 CB HIS A 485 0.711 1.657 -5.639 1.00 0.36 C ATOM 216 CG HIS A 485 -0.737 1.761 -6.030 1.00 0.52 C ATOM 217 ND1 HIS A 485 -1.440 2.950 -6.003 1.00 1.09 N ATOM 218 CD2 HIS A 485 -1.622 0.817 -6.439 1.00 0.41 C ATOM 219 CE1 HIS A 485 -2.688 2.728 -6.376 1.00 1.19 C ATOM 220 NE2 HIS A 485 -2.823 1.445 -6.645 1.00 0.73 N ATOM 0 H HIS A 485 3.189 1.196 -5.346 1.00 0.34 H new ATOM 0 HA HIS A 485 0.832 -0.454 -5.990 1.00 0.29 H new ATOM 0 HB2 HIS A 485 0.778 1.648 -4.551 1.00 0.36 H new ATOM 0 HB3 HIS A 485 1.229 2.552 -5.983 1.00 0.36 H new ATOM 0 HD2 HIS A 485 -1.418 -0.235 -6.577 1.00 0.41 H new ATOM 0 HE1 HIS A 485 -3.467 3.473 -6.448 1.00 1.19 H new ATOM 0 HE2 HIS A 485 -3.682 0.992 -6.956 1.00 0.73 H new ATOM 229 N LEU A 486 1.201 -0.393 -8.456 1.00 0.23 N ATOM 230 CA LEU A 486 1.455 -0.448 -9.904 1.00 0.30 C ATOM 231 C LEU A 486 1.143 0.878 -10.610 1.00 0.38 C ATOM 232 O LEU A 486 1.622 1.130 -11.715 1.00 0.52 O ATOM 233 CB LEU A 486 0.674 -1.624 -10.541 1.00 0.32 C ATOM 234 CG LEU A 486 -0.857 -1.480 -10.737 1.00 0.33 C ATOM 235 CD1 LEU A 486 -1.545 -0.869 -9.525 1.00 0.37 C ATOM 236 CD2 LEU A 486 -1.185 -0.692 -11.997 1.00 0.48 C ATOM 0 H LEU A 486 0.621 -1.157 -8.109 1.00 0.23 H new ATOM 0 HA LEU A 486 2.523 -0.621 -10.041 1.00 0.30 H new ATOM 0 HB2 LEU A 486 1.115 -1.824 -11.518 1.00 0.32 H new ATOM 0 HB3 LEU A 486 0.847 -2.507 -9.926 1.00 0.32 H new ATOM 0 HG LEU A 486 -1.248 -2.491 -10.853 1.00 0.33 H new ATOM 0 HD11 LEU A 486 -2.615 -0.791 -9.715 1.00 0.37 H new ATOM 0 HD12 LEU A 486 -1.377 -1.502 -8.654 1.00 0.37 H new ATOM 0 HD13 LEU A 486 -1.136 0.124 -9.337 1.00 0.37 H new ATOM 0 HD21 LEU A 486 -2.267 -0.610 -12.104 1.00 0.48 H new ATOM 0 HD22 LEU A 486 -0.751 0.305 -11.926 1.00 0.48 H new ATOM 0 HD23 LEU A 486 -0.773 -1.206 -12.865 1.00 0.48 H new ATOM 248 N GLU A 487 0.334 1.709 -9.968 1.00 0.38 N ATOM 249 CA GLU A 487 -0.032 3.003 -10.512 1.00 0.54 C ATOM 250 C GLU A 487 0.999 4.078 -10.171 1.00 0.55 C ATOM 251 O GLU A 487 1.502 4.759 -11.060 1.00 0.69 O ATOM 252 CB GLU A 487 -1.404 3.414 -9.986 1.00 0.64 C ATOM 253 CG GLU A 487 -2.537 2.562 -10.527 1.00 0.76 C ATOM 254 CD GLU A 487 -3.862 2.876 -9.873 1.00 1.47 C ATOM 255 OE1 GLU A 487 -4.361 2.035 -9.101 1.00 2.37 O ATOM 256 OE2 GLU A 487 -4.408 3.973 -10.112 1.00 1.85 O ATOM 0 H GLU A 487 -0.084 1.504 -9.060 1.00 0.38 H new ATOM 0 HA GLU A 487 -0.064 2.910 -11.598 1.00 0.54 H new ATOM 0 HB2 GLU A 487 -1.401 3.353 -8.898 1.00 0.64 H new ATOM 0 HB3 GLU A 487 -1.587 4.457 -10.246 1.00 0.64 H new ATOM 0 HG2 GLU A 487 -2.621 2.716 -11.603 1.00 0.76 H new ATOM 0 HG3 GLU A 487 -2.300 1.509 -10.373 1.00 0.76 H new ATOM 263 N HIS A 488 1.321 4.233 -8.886 1.00 0.44 N ATOM 264 CA HIS A 488 2.145 5.370 -8.464 1.00 0.48 C ATOM 265 C HIS A 488 3.483 4.968 -7.835 1.00 0.42 C ATOM 266 O HIS A 488 4.380 5.798 -7.711 1.00 0.52 O ATOM 267 CB HIS A 488 1.358 6.293 -7.535 1.00 0.53 C ATOM 268 CG HIS A 488 0.469 7.250 -8.278 1.00 0.71 C ATOM 269 ND1 HIS A 488 -0.900 7.130 -8.333 1.00 1.44 N ATOM 270 CD2 HIS A 488 0.772 8.356 -8.998 1.00 1.14 C ATOM 271 CE1 HIS A 488 -1.398 8.118 -9.054 1.00 1.39 C ATOM 272 NE2 HIS A 488 -0.406 8.882 -9.468 1.00 1.12 N ATOM 0 H HIS A 488 1.034 3.605 -8.136 1.00 0.44 H new ATOM 0 HA HIS A 488 2.399 5.911 -9.375 1.00 0.48 H new ATOM 0 HB2 HIS A 488 0.750 5.689 -6.861 1.00 0.53 H new ATOM 0 HB3 HIS A 488 2.055 6.858 -6.916 1.00 0.53 H new ATOM 0 HD2 HIS A 488 1.761 8.753 -9.171 1.00 1.14 H new ATOM 0 HE1 HIS A 488 -2.445 8.274 -9.269 1.00 1.39 H new ATOM 0 HE2 HIS A 488 -0.498 9.721 -10.040 1.00 1.12 H new ATOM 281 N GLY A 489 3.625 3.720 -7.419 1.00 0.37 N ATOM 282 CA GLY A 489 4.935 3.244 -7.018 1.00 0.39 C ATOM 283 C GLY A 489 5.051 2.889 -5.550 1.00 0.29 C ATOM 284 O GLY A 489 4.053 2.624 -4.878 1.00 0.25 O ATOM 0 H GLY A 489 2.871 3.036 -7.351 1.00 0.37 H new ATOM 0 HA2 GLY A 489 5.186 2.366 -7.612 1.00 0.39 H new ATOM 0 HA3 GLY A 489 5.674 4.010 -7.253 1.00 0.39 H new ATOM 288 N VAL A 490 6.289 2.888 -5.071 1.00 0.30 N ATOM 289 CA VAL A 490 6.632 2.443 -3.722 1.00 0.27 C ATOM 290 C VAL A 490 6.066 3.356 -2.630 1.00 0.21 C ATOM 291 O VAL A 490 6.158 4.585 -2.705 1.00 0.23 O ATOM 292 CB VAL A 490 8.171 2.334 -3.577 1.00 0.34 C ATOM 293 CG1 VAL A 490 8.847 3.643 -3.948 1.00 0.94 C ATOM 294 CG2 VAL A 490 8.574 1.910 -2.173 1.00 1.06 C ATOM 0 H VAL A 490 7.094 3.200 -5.614 1.00 0.30 H new ATOM 0 HA VAL A 490 6.173 1.464 -3.584 1.00 0.27 H new ATOM 0 HB VAL A 490 8.506 1.562 -4.269 1.00 0.34 H new ATOM 0 HG11 VAL A 490 9.926 3.539 -3.838 1.00 0.94 H new ATOM 0 HG12 VAL A 490 8.611 3.894 -4.982 1.00 0.94 H new ATOM 0 HG13 VAL A 490 8.490 4.436 -3.291 1.00 0.94 H new ATOM 0 HG21 VAL A 490 9.660 1.845 -2.110 1.00 1.06 H new ATOM 0 HG22 VAL A 490 8.213 2.645 -1.453 1.00 1.06 H new ATOM 0 HG23 VAL A 490 8.138 0.937 -1.948 1.00 1.06 H new ATOM 304 N GLY A 491 5.474 2.723 -1.622 1.00 0.18 N ATOM 305 CA GLY A 491 4.974 3.427 -0.459 1.00 0.18 C ATOM 306 C GLY A 491 5.166 2.606 0.803 1.00 0.16 C ATOM 307 O GLY A 491 5.691 1.492 0.747 1.00 0.16 O ATOM 0 H GLY A 491 5.331 1.714 -1.593 1.00 0.18 H new ATOM 0 HA2 GLY A 491 5.491 4.381 -0.358 1.00 0.18 H new ATOM 0 HA3 GLY A 491 3.916 3.651 -0.593 1.00 0.18 H new ATOM 311 N ARG A 492 4.734 3.139 1.938 1.00 0.17 N ATOM 312 CA ARG A 492 4.842 2.428 3.208 1.00 0.17 C ATOM 313 C ARG A 492 3.491 1.891 3.646 1.00 0.14 C ATOM 314 O ARG A 492 2.554 2.653 3.883 1.00 0.18 O ATOM 315 CB ARG A 492 5.419 3.339 4.289 1.00 0.24 C ATOM 316 CG ARG A 492 6.875 3.683 4.057 1.00 0.37 C ATOM 317 CD ARG A 492 7.758 2.453 4.182 1.00 0.44 C ATOM 318 NE ARG A 492 9.162 2.759 3.927 1.00 0.98 N ATOM 319 CZ ARG A 492 10.180 2.066 4.429 1.00 1.21 C ATOM 320 NH1 ARG A 492 9.959 1.046 5.252 1.00 1.35 N ATOM 321 NH2 ARG A 492 11.423 2.412 4.126 1.00 1.93 N ATOM 0 H ARG A 492 4.305 4.062 2.007 1.00 0.17 H new ATOM 0 HA ARG A 492 5.518 1.585 3.062 1.00 0.17 H new ATOM 0 HB2 ARG A 492 4.836 4.259 4.330 1.00 0.24 H new ATOM 0 HB3 ARG A 492 5.316 2.853 5.259 1.00 0.24 H new ATOM 0 HG2 ARG A 492 6.994 4.120 3.066 1.00 0.37 H new ATOM 0 HG3 ARG A 492 7.193 4.436 4.778 1.00 0.37 H new ATOM 0 HD2 ARG A 492 7.655 2.033 5.182 1.00 0.44 H new ATOM 0 HD3 ARG A 492 7.420 1.691 3.480 1.00 0.44 H new ATOM 0 HE ARG A 492 9.376 3.555 3.326 1.00 0.98 H new ATOM 0 HH11 ARG A 492 9.004 0.790 5.502 1.00 1.35 H new ATOM 0 HH12 ARG A 492 10.745 0.519 5.633 1.00 1.35 H new ATOM 0 HH21 ARG A 492 11.595 3.207 3.510 1.00 1.93 H new ATOM 0 HH22 ARG A 492 12.207 1.884 4.509 1.00 1.93 H new ATOM 335 N TYR A 493 3.395 0.575 3.730 1.00 0.15 N ATOM 336 CA TYR A 493 2.161 -0.086 4.128 1.00 0.14 C ATOM 337 C TYR A 493 1.831 0.229 5.577 1.00 0.14 C ATOM 338 O TYR A 493 2.688 0.111 6.451 1.00 0.15 O ATOM 339 CB TYR A 493 2.302 -1.600 3.953 1.00 0.15 C ATOM 340 CG TYR A 493 1.031 -2.365 4.233 1.00 0.15 C ATOM 341 CD1 TYR A 493 -0.027 -2.348 3.333 1.00 1.14 C ATOM 342 CD2 TYR A 493 0.891 -3.113 5.396 1.00 1.21 C ATOM 343 CE1 TYR A 493 -1.186 -3.056 3.586 1.00 1.15 C ATOM 344 CE2 TYR A 493 -0.265 -3.820 5.656 1.00 1.21 C ATOM 345 CZ TYR A 493 -1.300 -3.790 4.748 1.00 0.19 C ATOM 346 OH TYR A 493 -2.451 -4.504 4.997 1.00 0.23 O ATOM 0 H TYR A 493 4.164 -0.063 3.526 1.00 0.15 H new ATOM 0 HA TYR A 493 1.353 0.280 3.495 1.00 0.14 H new ATOM 0 HB2 TYR A 493 2.625 -1.810 2.933 1.00 0.15 H new ATOM 0 HB3 TYR A 493 3.087 -1.962 4.617 1.00 0.15 H new ATOM 0 HD1 TYR A 493 0.058 -1.773 2.423 1.00 1.14 H new ATOM 0 HD2 TYR A 493 1.702 -3.141 6.109 1.00 1.21 H new ATOM 0 HE1 TYR A 493 -2.000 -3.035 2.876 1.00 1.15 H new ATOM 0 HE2 TYR A 493 -0.358 -4.394 6.566 1.00 1.21 H new ATOM 0 HH TYR A 493 -2.598 -4.560 5.964 1.00 0.23 H new ATOM 356 N ALA A 494 0.596 0.624 5.841 1.00 0.18 N ATOM 357 CA ALA A 494 0.191 0.907 7.208 1.00 0.21 C ATOM 358 C ALA A 494 -1.186 0.341 7.502 1.00 0.21 C ATOM 359 O ALA A 494 -2.195 0.991 7.253 1.00 0.22 O ATOM 360 CB ALA A 494 0.196 2.405 7.461 1.00 0.25 C ATOM 0 H ALA A 494 -0.133 0.754 5.139 1.00 0.18 H new ATOM 0 HA ALA A 494 0.909 0.427 7.874 1.00 0.21 H new ATOM 0 HB1 ALA A 494 -0.109 2.601 8.489 1.00 0.25 H new ATOM 0 HB2 ALA A 494 1.200 2.798 7.299 1.00 0.25 H new ATOM 0 HB3 ALA A 494 -0.499 2.892 6.777 1.00 0.25 H new ATOM 366 N GLY A 495 -1.203 -0.847 8.089 1.00 0.22 N ATOM 367 CA GLY A 495 -2.446 -1.485 8.485 1.00 0.23 C ATOM 368 C GLY A 495 -3.481 -1.550 7.379 1.00 0.21 C ATOM 369 O GLY A 495 -3.153 -1.576 6.190 1.00 0.21 O ATOM 0 H GLY A 495 -0.365 -1.389 8.301 1.00 0.22 H new ATOM 0 HA2 GLY A 495 -2.231 -2.497 8.828 1.00 0.23 H new ATOM 0 HA3 GLY A 495 -2.867 -0.944 9.332 1.00 0.23 H new ATOM 373 N MET A 496 -4.733 -1.577 7.787 1.00 0.22 N ATOM 374 CA MET A 496 -5.851 -1.610 6.861 1.00 0.21 C ATOM 375 C MET A 496 -6.979 -0.744 7.374 1.00 0.22 C ATOM 376 O MET A 496 -7.113 -0.522 8.577 1.00 0.27 O ATOM 377 CB MET A 496 -6.355 -3.037 6.641 1.00 0.23 C ATOM 378 CG MET A 496 -5.653 -3.758 5.507 1.00 0.22 C ATOM 379 SD MET A 496 -6.244 -5.446 5.275 1.00 0.33 S ATOM 380 CE MET A 496 -5.781 -6.182 6.841 1.00 1.68 C ATOM 0 H MET A 496 -5.006 -1.577 8.770 1.00 0.22 H new ATOM 0 HA MET A 496 -5.500 -1.223 5.905 1.00 0.21 H new ATOM 0 HB2 MET A 496 -6.222 -3.607 7.561 1.00 0.23 H new ATOM 0 HB3 MET A 496 -7.425 -3.008 6.436 1.00 0.23 H new ATOM 0 HG2 MET A 496 -5.797 -3.198 4.583 1.00 0.22 H new ATOM 0 HG3 MET A 496 -4.581 -3.778 5.704 1.00 0.22 H new ATOM 0 HE1 MET A 496 -5.779 -7.268 6.746 1.00 1.68 H new ATOM 0 HE2 MET A 496 -4.785 -5.841 7.123 1.00 1.68 H new ATOM 0 HE3 MET A 496 -6.497 -5.886 7.608 1.00 1.68 H new ATOM 390 N THR A 497 -7.776 -0.249 6.456 1.00 0.20 N ATOM 391 CA THR A 497 -8.896 0.601 6.796 1.00 0.22 C ATOM 392 C THR A 497 -10.150 0.134 6.065 1.00 0.22 C ATOM 393 O THR A 497 -10.108 -0.182 4.878 1.00 0.20 O ATOM 394 CB THR A 497 -8.589 2.080 6.461 1.00 0.25 C ATOM 395 OG1 THR A 497 -9.745 2.901 6.679 1.00 0.31 O ATOM 396 CG2 THR A 497 -8.112 2.230 5.023 1.00 0.24 C ATOM 0 H THR A 497 -7.668 -0.422 5.457 1.00 0.20 H new ATOM 0 HA THR A 497 -9.069 0.529 7.870 1.00 0.22 H new ATOM 0 HB THR A 497 -7.791 2.409 7.126 1.00 0.25 H new ATOM 0 HG1 THR A 497 -9.530 3.832 6.463 1.00 0.31 H new ATOM 0 HG21 THR A 497 -7.904 3.280 4.816 1.00 0.24 H new ATOM 0 HG22 THR A 497 -7.204 1.645 4.878 1.00 0.24 H new ATOM 0 HG23 THR A 497 -8.886 1.873 4.344 1.00 0.24 H new ATOM 404 N THR A 498 -11.256 0.056 6.777 1.00 0.28 N ATOM 405 CA THR A 498 -12.513 -0.317 6.166 1.00 0.29 C ATOM 406 C THR A 498 -13.292 0.923 5.761 1.00 0.29 C ATOM 407 O THR A 498 -13.545 1.807 6.581 1.00 0.36 O ATOM 408 CB THR A 498 -13.350 -1.188 7.117 1.00 0.36 C ATOM 409 OG1 THR A 498 -12.944 -0.956 8.476 1.00 0.84 O ATOM 410 CG2 THR A 498 -13.198 -2.658 6.768 1.00 0.67 C ATOM 0 H THR A 498 -11.309 0.246 7.778 1.00 0.28 H new ATOM 0 HA THR A 498 -12.296 -0.902 5.273 1.00 0.29 H new ATOM 0 HB THR A 498 -14.400 -0.916 7.007 1.00 0.36 H new ATOM 0 HG1 THR A 498 -13.482 -1.512 9.078 1.00 0.84 H new ATOM 0 HG21 THR A 498 -13.798 -3.258 7.452 1.00 0.67 H new ATOM 0 HG22 THR A 498 -13.536 -2.826 5.746 1.00 0.67 H new ATOM 0 HG23 THR A 498 -12.150 -2.946 6.855 1.00 0.67 H new ATOM 418 N LEU A 499 -13.660 0.992 4.491 1.00 0.27 N ATOM 419 CA LEU A 499 -14.338 2.162 3.962 1.00 0.31 C ATOM 420 C LEU A 499 -15.781 1.824 3.620 1.00 0.34 C ATOM 421 O LEU A 499 -16.070 0.747 3.091 1.00 0.39 O ATOM 422 CB LEU A 499 -13.619 2.691 2.713 1.00 0.32 C ATOM 423 CG LEU A 499 -12.166 3.135 2.920 1.00 0.32 C ATOM 424 CD1 LEU A 499 -11.567 3.618 1.610 1.00 0.34 C ATOM 425 CD2 LEU A 499 -12.081 4.227 3.976 1.00 0.39 C ATOM 0 H LEU A 499 -13.500 0.251 3.809 1.00 0.27 H new ATOM 0 HA LEU A 499 -14.323 2.938 4.727 1.00 0.31 H new ATOM 0 HB2 LEU A 499 -13.637 1.913 1.949 1.00 0.32 H new ATOM 0 HB3 LEU A 499 -14.185 3.536 2.321 1.00 0.32 H new ATOM 0 HG LEU A 499 -11.593 2.276 3.269 1.00 0.32 H new ATOM 0 HD11 LEU A 499 -10.535 3.929 1.775 1.00 0.34 H new ATOM 0 HD12 LEU A 499 -11.590 2.809 0.879 1.00 0.34 H new ATOM 0 HD13 LEU A 499 -12.145 4.462 1.235 1.00 0.34 H new ATOM 0 HD21 LEU A 499 -11.041 4.527 4.107 1.00 0.39 H new ATOM 0 HD22 LEU A 499 -12.669 5.088 3.658 1.00 0.39 H new ATOM 0 HD23 LEU A 499 -12.471 3.850 4.921 1.00 0.39 H new ATOM 509 N GLY A 506 -16.233 -2.345 1.918 1.00 0.48 N ATOM 510 CA GLY A 506 -15.391 -3.490 2.197 1.00 0.58 C ATOM 511 C GLY A 506 -14.087 -3.120 2.865 1.00 0.45 C ATOM 512 O GLY A 506 -13.942 -2.020 3.405 1.00 0.43 O ATOM 0 HA2 GLY A 506 -15.935 -4.186 2.836 1.00 0.58 H new ATOM 0 HA3 GLY A 506 -15.179 -4.013 1.264 1.00 0.58 H new ATOM 516 N GLU A 507 -13.142 -4.048 2.826 1.00 0.41 N ATOM 517 CA GLU A 507 -11.822 -3.839 3.400 1.00 0.34 C ATOM 518 C GLU A 507 -10.903 -3.169 2.393 1.00 0.27 C ATOM 519 O GLU A 507 -10.919 -3.506 1.206 1.00 0.30 O ATOM 520 CB GLU A 507 -11.222 -5.172 3.825 1.00 0.42 C ATOM 521 CG GLU A 507 -11.971 -5.850 4.958 1.00 0.56 C ATOM 522 CD GLU A 507 -11.534 -7.283 5.158 1.00 0.78 C ATOM 523 OE1 GLU A 507 -12.236 -8.190 4.667 1.00 1.27 O ATOM 524 OE2 GLU A 507 -10.483 -7.510 5.799 1.00 1.63 O ATOM 0 H GLU A 507 -13.269 -4.965 2.397 1.00 0.41 H new ATOM 0 HA GLU A 507 -11.924 -3.192 4.271 1.00 0.34 H new ATOM 0 HB2 GLU A 507 -11.201 -5.841 2.965 1.00 0.42 H new ATOM 0 HB3 GLU A 507 -10.188 -5.013 4.130 1.00 0.42 H new ATOM 0 HG2 GLU A 507 -11.812 -5.292 5.881 1.00 0.56 H new ATOM 0 HG3 GLU A 507 -13.041 -5.824 4.750 1.00 0.56 H new ATOM 531 N TYR A 508 -10.116 -2.216 2.861 1.00 0.21 N ATOM 532 CA TYR A 508 -9.184 -1.509 2.003 1.00 0.17 C ATOM 533 C TYR A 508 -7.825 -1.411 2.652 1.00 0.15 C ATOM 534 O TYR A 508 -7.689 -1.246 3.865 1.00 0.21 O ATOM 535 CB TYR A 508 -9.709 -0.112 1.658 1.00 0.19 C ATOM 536 CG TYR A 508 -10.972 -0.139 0.827 1.00 0.26 C ATOM 537 CD1 TYR A 508 -10.925 0.024 -0.550 1.00 1.05 C ATOM 538 CD2 TYR A 508 -12.207 -0.345 1.422 1.00 1.38 C ATOM 539 CE1 TYR A 508 -12.078 -0.016 -1.310 1.00 1.02 C ATOM 540 CE2 TYR A 508 -13.362 -0.387 0.672 1.00 1.45 C ATOM 541 CZ TYR A 508 -13.294 -0.223 -0.695 1.00 0.45 C ATOM 542 OH TYR A 508 -14.443 -0.263 -1.449 1.00 0.54 O ATOM 0 H TYR A 508 -10.105 -1.914 3.835 1.00 0.21 H new ATOM 0 HA TYR A 508 -9.086 -2.078 1.078 1.00 0.17 H new ATOM 0 HB2 TYR A 508 -9.901 0.435 2.581 1.00 0.19 H new ATOM 0 HB3 TYR A 508 -8.937 0.436 1.117 1.00 0.19 H new ATOM 0 HD1 TYR A 508 -9.973 0.184 -1.035 1.00 1.05 H new ATOM 0 HD2 TYR A 508 -12.265 -0.475 2.493 1.00 1.38 H new ATOM 0 HE1 TYR A 508 -12.027 0.114 -2.381 1.00 1.02 H new ATOM 0 HE2 TYR A 508 -14.316 -0.548 1.153 1.00 1.45 H new ATOM 0 HH TYR A 508 -15.213 -0.418 -0.863 1.00 0.54 H new ATOM 552 N LEU A 509 -6.832 -1.548 1.815 1.00 0.19 N ATOM 553 CA LEU A 509 -5.457 -1.458 2.208 1.00 0.26 C ATOM 554 C LEU A 509 -5.095 -0.010 2.491 1.00 0.21 C ATOM 555 O LEU A 509 -5.479 0.887 1.740 1.00 0.19 O ATOM 556 CB LEU A 509 -4.625 -2.050 1.070 1.00 0.43 C ATOM 557 CG LEU A 509 -3.144 -1.716 1.042 1.00 0.41 C ATOM 558 CD1 LEU A 509 -2.418 -2.805 0.283 1.00 0.98 C ATOM 559 CD2 LEU A 509 -2.905 -0.375 0.371 1.00 1.06 C ATOM 0 H LEU A 509 -6.962 -1.729 0.820 1.00 0.19 H new ATOM 0 HA LEU A 509 -5.262 -2.013 3.126 1.00 0.26 H new ATOM 0 HB2 LEU A 509 -4.725 -3.135 1.108 1.00 0.43 H new ATOM 0 HB3 LEU A 509 -5.062 -1.722 0.127 1.00 0.43 H new ATOM 0 HG LEU A 509 -2.770 -1.653 2.064 1.00 0.41 H new ATOM 0 HD11 LEU A 509 -1.352 -2.580 0.254 1.00 0.98 H new ATOM 0 HD12 LEU A 509 -2.573 -3.762 0.782 1.00 0.98 H new ATOM 0 HD13 LEU A 509 -2.805 -2.859 -0.734 1.00 0.98 H new ATOM 0 HD21 LEU A 509 -1.837 -0.157 0.363 1.00 1.06 H new ATOM 0 HD22 LEU A 509 -3.276 -0.409 -0.653 1.00 1.06 H new ATOM 0 HD23 LEU A 509 -3.430 0.406 0.921 1.00 1.06 H new ATOM 571 N MET A 510 -4.373 0.215 3.575 1.00 0.22 N ATOM 572 CA MET A 510 -3.958 1.555 3.928 1.00 0.21 C ATOM 573 C MET A 510 -2.465 1.716 3.682 1.00 0.17 C ATOM 574 O MET A 510 -1.647 0.977 4.233 1.00 0.23 O ATOM 575 CB MET A 510 -4.284 1.848 5.389 1.00 0.27 C ATOM 576 CG MET A 510 -4.729 3.278 5.626 1.00 0.31 C ATOM 577 SD MET A 510 -4.974 3.654 7.370 1.00 0.50 S ATOM 578 CE MET A 510 -5.426 5.385 7.283 1.00 1.53 C ATOM 0 H MET A 510 -4.065 -0.511 4.221 1.00 0.22 H new ATOM 0 HA MET A 510 -4.501 2.265 3.304 1.00 0.21 H new ATOM 0 HB2 MET A 510 -5.069 1.170 5.722 1.00 0.27 H new ATOM 0 HB3 MET A 510 -3.405 1.642 5.999 1.00 0.27 H new ATOM 0 HG2 MET A 510 -3.984 3.958 5.214 1.00 0.31 H new ATOM 0 HG3 MET A 510 -5.659 3.458 5.086 1.00 0.31 H new ATOM 0 HE1 MET A 510 -5.610 5.764 8.288 1.00 1.53 H new ATOM 0 HE2 MET A 510 -4.614 5.950 6.825 1.00 1.53 H new ATOM 0 HE3 MET A 510 -6.329 5.496 6.682 1.00 1.53 H new ATOM 588 N LEU A 511 -2.117 2.662 2.833 1.00 0.15 N ATOM 589 CA LEU A 511 -0.724 2.937 2.524 1.00 0.13 C ATOM 590 C LEU A 511 -0.390 4.386 2.837 1.00 0.14 C ATOM 591 O LEU A 511 -1.257 5.257 2.784 1.00 0.20 O ATOM 592 CB LEU A 511 -0.437 2.634 1.051 1.00 0.17 C ATOM 593 CG LEU A 511 0.482 1.443 0.801 1.00 0.21 C ATOM 594 CD1 LEU A 511 0.149 0.772 -0.515 1.00 0.83 C ATOM 595 CD2 LEU A 511 1.925 1.899 0.780 1.00 0.69 C ATOM 0 H LEU A 511 -2.783 3.258 2.341 1.00 0.15 H new ATOM 0 HA LEU A 511 -0.097 2.293 3.142 1.00 0.13 H new ATOM 0 HB2 LEU A 511 -1.384 2.455 0.542 1.00 0.17 H new ATOM 0 HB3 LEU A 511 0.008 3.518 0.595 1.00 0.17 H new ATOM 0 HG LEU A 511 0.335 0.725 1.608 1.00 0.21 H new ATOM 0 HD11 LEU A 511 0.818 -0.074 -0.671 1.00 0.83 H new ATOM 0 HD12 LEU A 511 -0.883 0.420 -0.493 1.00 0.83 H new ATOM 0 HD13 LEU A 511 0.272 1.486 -1.329 1.00 0.83 H new ATOM 0 HD21 LEU A 511 2.575 1.042 0.601 1.00 0.69 H new ATOM 0 HD22 LEU A 511 2.063 2.632 -0.015 1.00 0.69 H new ATOM 0 HD23 LEU A 511 2.178 2.352 1.739 1.00 0.69 H new ATOM 607 N THR A 512 0.860 4.634 3.174 1.00 0.15 N ATOM 608 CA THR A 512 1.321 5.982 3.446 1.00 0.19 C ATOM 609 C THR A 512 2.486 6.344 2.542 1.00 0.16 C ATOM 610 O THR A 512 3.423 5.562 2.369 1.00 0.21 O ATOM 611 CB THR A 512 1.732 6.162 4.921 1.00 0.28 C ATOM 612 OG1 THR A 512 2.208 4.923 5.464 1.00 0.58 O ATOM 613 CG2 THR A 512 0.567 6.679 5.751 1.00 0.55 C ATOM 0 H THR A 512 1.578 3.916 3.267 1.00 0.15 H new ATOM 0 HA THR A 512 0.486 6.652 3.243 1.00 0.19 H new ATOM 0 HB THR A 512 2.536 6.897 4.958 1.00 0.28 H new ATOM 0 HG1 THR A 512 2.686 4.424 4.769 1.00 0.58 H new ATOM 0 HG21 THR A 512 0.883 6.797 6.787 1.00 0.55 H new ATOM 0 HG22 THR A 512 0.240 7.642 5.359 1.00 0.55 H new ATOM 0 HG23 THR A 512 -0.258 5.968 5.702 1.00 0.55 H new ATOM 621 N TYR A 513 2.400 7.515 1.941 1.00 0.16 N ATOM 622 CA TYR A 513 3.453 8.016 1.084 1.00 0.19 C ATOM 623 C TYR A 513 4.065 9.262 1.702 1.00 0.24 C ATOM 624 O TYR A 513 3.764 9.595 2.850 1.00 0.27 O ATOM 625 CB TYR A 513 2.905 8.325 -0.311 1.00 0.21 C ATOM 626 CG TYR A 513 2.660 7.100 -1.168 1.00 0.19 C ATOM 627 CD1 TYR A 513 1.690 6.166 -0.828 1.00 1.10 C ATOM 628 CD2 TYR A 513 3.396 6.886 -2.327 1.00 1.12 C ATOM 629 CE1 TYR A 513 1.461 5.057 -1.618 1.00 1.08 C ATOM 630 CE2 TYR A 513 3.172 5.779 -3.122 1.00 1.16 C ATOM 631 CZ TYR A 513 2.204 4.868 -2.764 1.00 0.24 C ATOM 632 OH TYR A 513 1.975 3.767 -3.556 1.00 0.28 O ATOM 0 H TYR A 513 1.601 8.142 2.033 1.00 0.16 H new ATOM 0 HA TYR A 513 4.225 7.253 0.985 1.00 0.19 H new ATOM 0 HB2 TYR A 513 1.970 8.875 -0.208 1.00 0.21 H new ATOM 0 HB3 TYR A 513 3.606 8.981 -0.827 1.00 0.21 H new ATOM 0 HD1 TYR A 513 1.105 6.309 0.069 1.00 1.10 H new ATOM 0 HD2 TYR A 513 4.157 7.598 -2.611 1.00 1.12 H new ATOM 0 HE1 TYR A 513 0.703 4.340 -1.339 1.00 1.08 H new ATOM 0 HE2 TYR A 513 3.753 5.629 -4.020 1.00 1.16 H new ATOM 0 HH TYR A 513 2.815 3.485 -3.975 1.00 0.28 H new ATOM 642 N ALA A 514 4.913 9.946 0.948 1.00 0.28 N ATOM 643 CA ALA A 514 5.560 11.153 1.437 1.00 0.33 C ATOM 644 C ALA A 514 4.524 12.212 1.800 1.00 0.31 C ATOM 645 O ALA A 514 3.451 12.273 1.191 1.00 0.31 O ATOM 646 CB ALA A 514 6.535 11.685 0.402 1.00 0.43 C ATOM 0 H ALA A 514 5.169 9.685 -0.004 1.00 0.28 H new ATOM 0 HA ALA A 514 6.118 10.905 2.340 1.00 0.33 H new ATOM 0 HB1 ALA A 514 7.012 12.589 0.782 1.00 0.43 H new ATOM 0 HB2 ALA A 514 7.296 10.932 0.198 1.00 0.43 H new ATOM 0 HB3 ALA A 514 5.998 11.917 -0.518 1.00 0.43 H new ATOM 652 N ASN A 515 4.848 13.019 2.809 1.00 0.36 N ATOM 653 CA ASN A 515 3.946 14.052 3.322 1.00 0.40 C ATOM 654 C ASN A 515 2.743 13.397 4.007 1.00 0.39 C ATOM 655 O ASN A 515 1.667 13.988 4.123 1.00 0.44 O ATOM 656 CB ASN A 515 3.501 14.998 2.192 1.00 0.43 C ATOM 657 CG ASN A 515 2.736 16.220 2.677 1.00 1.29 C ATOM 658 OD1 ASN A 515 3.079 16.724 3.853 1.00 2.26 O flip ATOM 659 ND2 ASN A 515 1.851 16.720 1.982 1.00 1.69 N flip ATOM 0 H ASN A 515 5.744 12.976 3.295 1.00 0.36 H new ATOM 0 HA ASN A 515 4.477 14.653 4.060 1.00 0.40 H new ATOM 0 HB2 ASN A 515 4.381 15.328 1.640 1.00 0.43 H new ATOM 0 HB3 ASN A 515 2.875 14.444 1.493 1.00 0.43 H new ATOM 0 HD21 ASN A 515 1.614 16.304 1.081 1.00 1.69 H new ATOM 0 HD22 ASN A 515 1.355 17.550 2.307 1.00 1.69 H new ATOM 666 N ASP A 516 2.949 12.155 4.454 1.00 0.36 N ATOM 667 CA ASP A 516 1.937 11.383 5.181 1.00 0.37 C ATOM 668 C ASP A 516 0.660 11.215 4.364 1.00 0.34 C ATOM 669 O ASP A 516 -0.439 11.158 4.920 1.00 0.41 O ATOM 670 CB ASP A 516 1.609 12.033 6.530 1.00 0.45 C ATOM 671 CG ASP A 516 2.753 11.953 7.519 1.00 0.89 C ATOM 672 OD1 ASP A 516 3.487 12.951 7.675 1.00 1.60 O ATOM 673 OD2 ASP A 516 2.926 10.890 8.152 1.00 1.62 O ATOM 0 H ASP A 516 3.827 11.654 4.321 1.00 0.36 H new ATOM 0 HA ASP A 516 2.361 10.395 5.359 1.00 0.37 H new ATOM 0 HB2 ASP A 516 1.348 13.079 6.369 1.00 0.45 H new ATOM 0 HB3 ASP A 516 0.732 11.547 6.957 1.00 0.45 H new ATOM 678 N ALA A 517 0.811 11.130 3.050 1.00 0.31 N ATOM 679 CA ALA A 517 -0.329 10.961 2.162 1.00 0.30 C ATOM 680 C ALA A 517 -0.916 9.564 2.316 1.00 0.25 C ATOM 681 O ALA A 517 -0.178 8.589 2.469 1.00 0.23 O ATOM 682 CB ALA A 517 0.080 11.218 0.723 1.00 0.32 C ATOM 0 H ALA A 517 1.713 11.175 2.575 1.00 0.31 H new ATOM 0 HA ALA A 517 -1.096 11.687 2.434 1.00 0.30 H new ATOM 0 HB1 ALA A 517 -0.783 11.088 0.071 1.00 0.32 H new ATOM 0 HB2 ALA A 517 0.456 12.237 0.628 1.00 0.32 H new ATOM 0 HB3 ALA A 517 0.861 10.514 0.436 1.00 0.32 H new ATOM 688 N LYS A 518 -2.236 9.468 2.275 1.00 0.28 N ATOM 689 CA LYS A 518 -2.914 8.206 2.519 1.00 0.28 C ATOM 690 C LYS A 518 -3.375 7.573 1.213 1.00 0.24 C ATOM 691 O LYS A 518 -4.065 8.206 0.413 1.00 0.38 O ATOM 692 CB LYS A 518 -4.120 8.410 3.441 1.00 0.41 C ATOM 693 CG LYS A 518 -3.793 9.087 4.765 1.00 0.56 C ATOM 694 CD LYS A 518 -2.718 8.336 5.537 1.00 0.64 C ATOM 695 CE LYS A 518 -2.514 8.916 6.929 1.00 0.99 C ATOM 696 NZ LYS A 518 -2.236 10.378 6.899 1.00 1.55 N ATOM 0 H LYS A 518 -2.859 10.250 2.075 1.00 0.28 H new ATOM 0 HA LYS A 518 -2.202 7.537 3.003 1.00 0.28 H new ATOM 0 HB2 LYS A 518 -4.866 9.007 2.916 1.00 0.41 H new ATOM 0 HB3 LYS A 518 -4.574 7.440 3.645 1.00 0.41 H new ATOM 0 HG2 LYS A 518 -3.459 10.108 4.578 1.00 0.56 H new ATOM 0 HG3 LYS A 518 -4.696 9.153 5.372 1.00 0.56 H new ATOM 0 HD2 LYS A 518 -2.996 7.285 5.618 1.00 0.64 H new ATOM 0 HD3 LYS A 518 -1.779 8.376 4.985 1.00 0.64 H new ATOM 0 HE2 LYS A 518 -3.403 8.730 7.531 1.00 0.99 H new ATOM 0 HE3 LYS A 518 -1.686 8.401 7.416 1.00 0.99 H new ATOM 0 HZ1 LYS A 518 -1.826 10.672 7.809 1.00 1.55 H new ATOM 0 HZ2 LYS A 518 -1.565 10.588 6.133 1.00 1.55 H new ATOM 0 HZ3 LYS A 518 -3.122 10.897 6.735 1.00 1.55 H new ATOM 710 N LEU A 519 -2.984 6.331 1.005 1.00 0.16 N ATOM 711 CA LEU A 519 -3.422 5.567 -0.150 1.00 0.15 C ATOM 712 C LEU A 519 -4.369 4.460 0.289 1.00 0.14 C ATOM 713 O LEU A 519 -4.145 3.819 1.316 1.00 0.21 O ATOM 714 CB LEU A 519 -2.219 4.963 -0.880 1.00 0.20 C ATOM 715 CG LEU A 519 -2.568 3.989 -2.009 1.00 0.25 C ATOM 716 CD1 LEU A 519 -3.313 4.705 -3.120 1.00 0.89 C ATOM 717 CD2 LEU A 519 -1.318 3.315 -2.548 1.00 0.72 C ATOM 0 H LEU A 519 -2.356 5.823 1.628 1.00 0.16 H new ATOM 0 HA LEU A 519 -3.945 6.237 -0.833 1.00 0.15 H new ATOM 0 HB2 LEU A 519 -1.619 5.774 -1.293 1.00 0.20 H new ATOM 0 HB3 LEU A 519 -1.595 4.444 -0.153 1.00 0.20 H new ATOM 0 HG LEU A 519 -3.220 3.216 -1.602 1.00 0.25 H new ATOM 0 HD11 LEU A 519 -3.552 3.997 -3.913 1.00 0.89 H new ATOM 0 HD12 LEU A 519 -4.235 5.131 -2.724 1.00 0.89 H new ATOM 0 HD13 LEU A 519 -2.688 5.502 -3.522 1.00 0.89 H new ATOM 0 HD21 LEU A 519 -1.592 2.628 -3.349 1.00 0.72 H new ATOM 0 HD22 LEU A 519 -0.635 4.071 -2.936 1.00 0.72 H new ATOM 0 HD23 LEU A 519 -0.829 2.762 -1.747 1.00 0.72 H new ATOM 729 N TYR A 520 -5.428 4.249 -0.480 1.00 0.12 N ATOM 730 CA TYR A 520 -6.381 3.190 -0.190 1.00 0.14 C ATOM 731 C TYR A 520 -6.519 2.270 -1.397 1.00 0.16 C ATOM 732 O TYR A 520 -6.843 2.719 -2.498 1.00 0.22 O ATOM 733 CB TYR A 520 -7.746 3.777 0.179 1.00 0.19 C ATOM 734 CG TYR A 520 -7.677 4.856 1.236 1.00 0.23 C ATOM 735 CD1 TYR A 520 -7.499 4.534 2.573 1.00 0.96 C ATOM 736 CD2 TYR A 520 -7.788 6.198 0.894 1.00 1.05 C ATOM 737 CE1 TYR A 520 -7.435 5.517 3.541 1.00 0.97 C ATOM 738 CE2 TYR A 520 -7.724 7.186 1.856 1.00 1.10 C ATOM 739 CZ TYR A 520 -7.549 6.842 3.179 1.00 0.40 C ATOM 740 OH TYR A 520 -7.488 7.825 4.140 1.00 0.50 O ATOM 0 H TYR A 520 -5.648 4.799 -1.310 1.00 0.12 H new ATOM 0 HA TYR A 520 -6.011 2.615 0.659 1.00 0.14 H new ATOM 0 HB2 TYR A 520 -8.209 4.188 -0.718 1.00 0.19 H new ATOM 0 HB3 TYR A 520 -8.393 2.975 0.533 1.00 0.19 H new ATOM 0 HD1 TYR A 520 -7.409 3.497 2.862 1.00 0.96 H new ATOM 0 HD2 TYR A 520 -7.927 6.473 -0.141 1.00 1.05 H new ATOM 0 HE1 TYR A 520 -7.296 5.248 4.578 1.00 0.97 H new ATOM 0 HE2 TYR A 520 -7.811 8.225 1.573 1.00 1.10 H new ATOM 0 HH TYR A 520 -7.584 8.703 3.716 1.00 0.50 H new ATOM 750 N VAL A 521 -6.249 0.992 -1.193 1.00 0.17 N ATOM 751 CA VAL A 521 -6.353 0.008 -2.262 1.00 0.17 C ATOM 752 C VAL A 521 -7.357 -1.075 -1.884 1.00 0.18 C ATOM 753 O VAL A 521 -7.277 -1.649 -0.801 1.00 0.20 O ATOM 754 CB VAL A 521 -4.984 -0.643 -2.569 1.00 0.19 C ATOM 755 CG1 VAL A 521 -5.121 -1.746 -3.608 1.00 0.33 C ATOM 756 CG2 VAL A 521 -3.985 0.406 -3.038 1.00 0.28 C ATOM 0 H VAL A 521 -5.955 0.609 -0.295 1.00 0.17 H new ATOM 0 HA VAL A 521 -6.693 0.529 -3.157 1.00 0.17 H new ATOM 0 HB VAL A 521 -4.613 -1.091 -1.647 1.00 0.19 H new ATOM 0 HG11 VAL A 521 -4.143 -2.185 -3.804 1.00 0.33 H new ATOM 0 HG12 VAL A 521 -5.796 -2.516 -3.235 1.00 0.33 H new ATOM 0 HG13 VAL A 521 -5.522 -1.328 -4.531 1.00 0.33 H new ATOM 0 HG21 VAL A 521 -3.028 -0.071 -3.249 1.00 0.28 H new ATOM 0 HG22 VAL A 521 -4.359 0.885 -3.943 1.00 0.28 H new ATOM 0 HG23 VAL A 521 -3.852 1.156 -2.258 1.00 0.28 H new ATOM 766 N PRO A 522 -8.329 -1.356 -2.762 1.00 0.19 N ATOM 767 CA PRO A 522 -9.315 -2.406 -2.518 1.00 0.22 C ATOM 768 C PRO A 522 -8.659 -3.780 -2.488 1.00 0.20 C ATOM 769 O PRO A 522 -7.744 -4.058 -3.266 1.00 0.19 O ATOM 770 CB PRO A 522 -10.281 -2.291 -3.701 1.00 0.25 C ATOM 771 CG PRO A 522 -9.520 -1.575 -4.765 1.00 0.22 C ATOM 772 CD PRO A 522 -8.534 -0.685 -4.058 1.00 0.19 C ATOM 0 HA PRO A 522 -9.812 -2.292 -1.555 1.00 0.22 H new ATOM 0 HB2 PRO A 522 -10.603 -3.275 -4.043 1.00 0.25 H new ATOM 0 HB3 PRO A 522 -11.180 -1.740 -3.422 1.00 0.25 H new ATOM 0 HG2 PRO A 522 -9.007 -2.282 -5.417 1.00 0.22 H new ATOM 0 HG3 PRO A 522 -10.190 -0.989 -5.394 1.00 0.22 H new ATOM 0 HD2 PRO A 522 -7.602 -0.597 -4.616 1.00 0.19 H new ATOM 0 HD3 PRO A 522 -8.925 0.324 -3.930 1.00 0.19 H new ATOM 780 N VAL A 523 -9.130 -4.642 -1.593 1.00 0.22 N ATOM 781 CA VAL A 523 -8.540 -5.966 -1.418 1.00 0.24 C ATOM 782 C VAL A 523 -8.787 -6.859 -2.633 1.00 0.25 C ATOM 783 O VAL A 523 -8.278 -7.976 -2.711 1.00 0.32 O ATOM 784 CB VAL A 523 -9.051 -6.668 -0.139 1.00 0.29 C ATOM 785 CG1 VAL A 523 -8.506 -5.973 1.099 1.00 0.31 C ATOM 786 CG2 VAL A 523 -10.572 -6.703 -0.102 1.00 0.30 C ATOM 0 H VAL A 523 -9.919 -4.448 -0.977 1.00 0.22 H new ATOM 0 HA VAL A 523 -7.467 -5.808 -1.313 1.00 0.24 H new ATOM 0 HB VAL A 523 -8.691 -7.697 -0.152 1.00 0.29 H new ATOM 0 HG11 VAL A 523 -8.874 -6.478 1.992 1.00 0.31 H new ATOM 0 HG12 VAL A 523 -7.417 -6.008 1.086 1.00 0.31 H new ATOM 0 HG13 VAL A 523 -8.836 -4.934 1.108 1.00 0.31 H new ATOM 0 HG21 VAL A 523 -10.902 -7.203 0.809 1.00 0.30 H new ATOM 0 HG22 VAL A 523 -10.960 -5.684 -0.118 1.00 0.30 H new ATOM 0 HG23 VAL A 523 -10.945 -7.247 -0.970 1.00 0.30 H new ATOM 796 N SER A 524 -9.563 -6.359 -3.583 1.00 0.24 N ATOM 797 CA SER A 524 -9.768 -7.050 -4.842 1.00 0.28 C ATOM 798 C SER A 524 -8.605 -6.764 -5.794 1.00 0.28 C ATOM 799 O SER A 524 -8.331 -7.537 -6.714 1.00 0.37 O ATOM 800 CB SER A 524 -11.087 -6.598 -5.466 1.00 0.36 C ATOM 801 OG SER A 524 -12.141 -6.638 -4.516 1.00 1.34 O ATOM 0 H SER A 524 -10.062 -5.473 -3.503 1.00 0.24 H new ATOM 0 HA SER A 524 -9.811 -8.124 -4.660 1.00 0.28 H new ATOM 0 HB2 SER A 524 -10.981 -5.585 -5.854 1.00 0.36 H new ATOM 0 HB3 SER A 524 -11.331 -7.240 -6.312 1.00 0.36 H new ATOM 0 HG SER A 524 -12.974 -6.343 -4.939 1.00 1.34 H new ATOM 807 N SER A 525 -7.903 -5.663 -5.546 1.00 0.24 N ATOM 808 CA SER A 525 -6.824 -5.221 -6.418 1.00 0.25 C ATOM 809 C SER A 525 -5.454 -5.503 -5.803 1.00 0.24 C ATOM 810 O SER A 525 -4.468 -4.846 -6.132 1.00 0.27 O ATOM 811 CB SER A 525 -6.970 -3.726 -6.706 1.00 0.27 C ATOM 812 OG SER A 525 -8.225 -3.443 -7.306 1.00 0.28 O ATOM 0 H SER A 525 -8.065 -5.057 -4.741 1.00 0.24 H new ATOM 0 HA SER A 525 -6.893 -5.782 -7.350 1.00 0.25 H new ATOM 0 HB2 SER A 525 -6.871 -3.162 -5.778 1.00 0.27 H new ATOM 0 HB3 SER A 525 -6.166 -3.399 -7.365 1.00 0.27 H new ATOM 0 HG SER A 525 -8.295 -2.481 -7.479 1.00 0.28 H new ATOM 818 N LEU A 526 -5.395 -6.490 -4.914 1.00 0.25 N ATOM 819 CA LEU A 526 -4.137 -6.862 -4.267 1.00 0.26 C ATOM 820 C LEU A 526 -3.152 -7.449 -5.275 1.00 0.30 C ATOM 821 O LEU A 526 -1.949 -7.487 -5.031 1.00 0.39 O ATOM 822 CB LEU A 526 -4.389 -7.865 -3.139 1.00 0.31 C ATOM 823 CG LEU A 526 -5.218 -7.335 -1.967 1.00 0.38 C ATOM 824 CD1 LEU A 526 -5.382 -8.410 -0.904 1.00 0.51 C ATOM 825 CD2 LEU A 526 -4.577 -6.090 -1.370 1.00 0.46 C ATOM 0 H LEU A 526 -6.200 -7.046 -4.625 1.00 0.25 H new ATOM 0 HA LEU A 526 -3.700 -5.957 -3.846 1.00 0.26 H new ATOM 0 HB2 LEU A 526 -4.894 -8.736 -3.556 1.00 0.31 H new ATOM 0 HB3 LEU A 526 -3.427 -8.207 -2.757 1.00 0.31 H new ATOM 0 HG LEU A 526 -6.205 -7.063 -2.342 1.00 0.38 H new ATOM 0 HD11 LEU A 526 -5.974 -8.017 -0.077 1.00 0.51 H new ATOM 0 HD12 LEU A 526 -5.889 -9.273 -1.335 1.00 0.51 H new ATOM 0 HD13 LEU A 526 -4.401 -8.711 -0.537 1.00 0.51 H new ATOM 0 HD21 LEU A 526 -5.184 -5.731 -0.539 1.00 0.46 H new ATOM 0 HD22 LEU A 526 -3.577 -6.332 -1.011 1.00 0.46 H new ATOM 0 HD23 LEU A 526 -4.511 -5.314 -2.132 1.00 0.46 H new ATOM 837 N HIS A 527 -3.664 -7.873 -6.426 1.00 0.31 N ATOM 838 CA HIS A 527 -2.820 -8.446 -7.471 1.00 0.41 C ATOM 839 C HIS A 527 -2.154 -7.346 -8.293 1.00 0.44 C ATOM 840 O HIS A 527 -1.571 -7.605 -9.344 1.00 0.64 O ATOM 841 CB HIS A 527 -3.630 -9.368 -8.391 1.00 0.50 C ATOM 842 CG HIS A 527 -4.073 -10.643 -7.741 1.00 1.49 C ATOM 843 ND1 HIS A 527 -3.395 -11.835 -7.880 1.00 2.24 N ATOM 844 CD2 HIS A 527 -5.137 -10.911 -6.949 1.00 2.53 C ATOM 845 CE1 HIS A 527 -4.022 -12.778 -7.204 1.00 3.18 C ATOM 846 NE2 HIS A 527 -5.082 -12.244 -6.629 1.00 3.40 N ATOM 0 H HIS A 527 -4.656 -7.831 -6.659 1.00 0.31 H new ATOM 0 HA HIS A 527 -2.046 -9.038 -6.982 1.00 0.41 H new ATOM 0 HB2 HIS A 527 -4.508 -8.829 -8.746 1.00 0.50 H new ATOM 0 HB3 HIS A 527 -3.028 -9.609 -9.267 1.00 0.50 H new ATOM 0 HD2 HIS A 527 -5.890 -10.206 -6.628 1.00 2.53 H new ATOM 0 HE1 HIS A 527 -3.719 -13.812 -7.133 1.00 3.18 H new ATOM 0 HE2 HIS A 527 -5.752 -12.741 -6.042 1.00 3.40 H new ATOM 855 N LEU A 528 -2.254 -6.116 -7.809 1.00 0.33 N ATOM 856 CA LEU A 528 -1.648 -4.977 -8.480 1.00 0.38 C ATOM 857 C LEU A 528 -0.568 -4.350 -7.604 1.00 0.41 C ATOM 858 O LEU A 528 0.045 -3.345 -7.964 1.00 0.57 O ATOM 859 CB LEU A 528 -2.718 -3.940 -8.819 1.00 0.36 C ATOM 860 CG LEU A 528 -3.832 -4.421 -9.749 1.00 0.34 C ATOM 861 CD1 LEU A 528 -4.814 -3.294 -10.022 1.00 0.34 C ATOM 862 CD2 LEU A 528 -3.252 -4.948 -11.054 1.00 0.42 C ATOM 0 H LEU A 528 -2.752 -5.882 -6.950 1.00 0.33 H new ATOM 0 HA LEU A 528 -1.184 -5.325 -9.403 1.00 0.38 H new ATOM 0 HB2 LEU A 528 -3.169 -3.593 -7.890 1.00 0.36 H new ATOM 0 HB3 LEU A 528 -2.232 -3.079 -9.278 1.00 0.36 H new ATOM 0 HG LEU A 528 -4.364 -5.236 -9.257 1.00 0.34 H new ATOM 0 HD11 LEU A 528 -5.602 -3.651 -10.686 1.00 0.34 H new ATOM 0 HD12 LEU A 528 -5.254 -2.960 -9.083 1.00 0.34 H new ATOM 0 HD13 LEU A 528 -4.291 -2.462 -10.494 1.00 0.34 H new ATOM 0 HD21 LEU A 528 -4.061 -5.285 -11.702 1.00 0.42 H new ATOM 0 HD22 LEU A 528 -2.696 -4.154 -11.552 1.00 0.42 H new ATOM 0 HD23 LEU A 528 -2.583 -5.783 -10.844 1.00 0.42 H new ATOM 874 N ILE A 529 -0.362 -4.937 -6.436 1.00 0.31 N ATOM 875 CA ILE A 529 0.656 -4.478 -5.509 1.00 0.29 C ATOM 876 C ILE A 529 1.811 -5.478 -5.474 1.00 0.31 C ATOM 877 O ILE A 529 1.646 -6.635 -5.862 1.00 0.42 O ATOM 878 CB ILE A 529 0.047 -4.333 -4.103 1.00 0.28 C ATOM 879 CG1 ILE A 529 -1.278 -3.573 -4.188 1.00 0.32 C ATOM 880 CG2 ILE A 529 1.010 -3.631 -3.150 1.00 0.33 C ATOM 881 CD1 ILE A 529 -1.126 -2.085 -4.459 1.00 0.43 C ATOM 0 H ILE A 529 -0.894 -5.742 -6.106 1.00 0.31 H new ATOM 0 HA ILE A 529 1.033 -3.510 -5.838 1.00 0.29 H new ATOM 0 HB ILE A 529 -0.139 -5.330 -3.705 1.00 0.28 H new ATOM 0 HG12 ILE A 529 -1.887 -4.014 -4.977 1.00 0.32 H new ATOM 0 HG13 ILE A 529 -1.822 -3.707 -3.253 1.00 0.32 H new ATOM 0 HG21 ILE A 529 0.550 -3.544 -2.166 1.00 0.33 H new ATOM 0 HG22 ILE A 529 1.930 -4.210 -3.071 1.00 0.33 H new ATOM 0 HG23 ILE A 529 1.239 -2.636 -3.532 1.00 0.33 H new ATOM 0 HD11 ILE A 529 -2.111 -1.621 -4.504 1.00 0.43 H new ATOM 0 HD12 ILE A 529 -0.545 -1.627 -3.658 1.00 0.43 H new ATOM 0 HD13 ILE A 529 -0.612 -1.939 -5.409 1.00 0.43 H new ATOM 893 N SER A 530 2.975 -5.035 -5.028 1.00 0.31 N ATOM 894 CA SER A 530 4.129 -5.909 -4.926 1.00 0.37 C ATOM 895 C SER A 530 5.028 -5.439 -3.805 1.00 0.31 C ATOM 896 O SER A 530 5.031 -4.264 -3.446 1.00 0.35 O ATOM 897 CB SER A 530 4.888 -5.926 -6.255 1.00 0.45 C ATOM 898 OG SER A 530 5.691 -7.087 -6.382 1.00 0.99 O ATOM 0 H SER A 530 3.145 -4.074 -4.731 1.00 0.31 H new ATOM 0 HA SER A 530 3.797 -6.923 -4.704 1.00 0.37 H new ATOM 0 HB2 SER A 530 4.178 -5.882 -7.081 1.00 0.45 H new ATOM 0 HB3 SER A 530 5.517 -5.038 -6.327 1.00 0.45 H new ATOM 0 HG SER A 530 6.161 -7.067 -7.242 1.00 0.99 H new ATOM 904 N ARG A 531 5.775 -6.368 -3.248 1.00 0.39 N ATOM 905 CA ARG A 531 6.632 -6.076 -2.125 1.00 0.42 C ATOM 906 C ARG A 531 7.987 -5.591 -2.617 1.00 0.36 C ATOM 907 O ARG A 531 8.570 -6.175 -3.533 1.00 0.41 O ATOM 908 CB ARG A 531 6.782 -7.318 -1.254 1.00 0.57 C ATOM 909 CG ARG A 531 7.457 -7.040 0.065 1.00 0.54 C ATOM 910 CD ARG A 531 7.415 -8.253 0.987 1.00 0.95 C ATOM 911 NE ARG A 531 8.025 -9.440 0.384 1.00 1.31 N ATOM 912 CZ ARG A 531 7.925 -10.671 0.897 1.00 1.92 C ATOM 913 NH1 ARG A 531 7.257 -10.875 2.027 1.00 2.47 N ATOM 914 NH2 ARG A 531 8.506 -11.693 0.285 1.00 2.51 N ATOM 0 H ARG A 531 5.804 -7.339 -3.560 1.00 0.39 H new ATOM 0 HA ARG A 531 6.184 -5.285 -1.524 1.00 0.42 H new ATOM 0 HB2 ARG A 531 5.796 -7.744 -1.068 1.00 0.57 H new ATOM 0 HB3 ARG A 531 7.356 -8.068 -1.798 1.00 0.57 H new ATOM 0 HG2 ARG A 531 8.494 -6.752 -0.110 1.00 0.54 H new ATOM 0 HG3 ARG A 531 6.970 -6.196 0.552 1.00 0.54 H new ATOM 0 HD2 ARG A 531 7.932 -8.016 1.917 1.00 0.95 H new ATOM 0 HD3 ARG A 531 6.379 -8.473 1.245 1.00 0.95 H new ATOM 0 HE ARG A 531 8.557 -9.321 -0.478 1.00 1.31 H new ATOM 0 HH11 ARG A 531 6.817 -10.091 2.508 1.00 2.47 H new ATOM 0 HH12 ARG A 531 7.184 -11.816 2.414 1.00 2.47 H new ATOM 0 HH21 ARG A 531 9.029 -11.541 -0.577 1.00 2.51 H new ATOM 0 HH22 ARG A 531 8.430 -12.632 0.676 1.00 2.51 H new ATOM 928 N TYR A 532 8.474 -4.516 -2.022 1.00 0.37 N ATOM 929 CA TYR A 532 9.721 -3.912 -2.440 1.00 0.50 C ATOM 930 C TYR A 532 10.910 -4.694 -1.892 1.00 0.77 C ATOM 931 O TYR A 532 11.327 -4.473 -0.752 1.00 1.57 O ATOM 932 CB TYR A 532 9.779 -2.464 -1.958 1.00 0.57 C ATOM 933 CG TYR A 532 10.786 -1.626 -2.699 1.00 0.48 C ATOM 934 CD1 TYR A 532 12.141 -1.732 -2.429 1.00 1.43 C ATOM 935 CD2 TYR A 532 10.374 -0.737 -3.673 1.00 1.15 C ATOM 936 CE1 TYR A 532 13.064 -0.970 -3.118 1.00 1.48 C ATOM 937 CE2 TYR A 532 11.287 0.033 -4.367 1.00 1.24 C ATOM 938 CZ TYR A 532 12.631 -0.089 -4.086 1.00 0.77 C ATOM 939 OH TYR A 532 13.547 0.667 -4.783 1.00 1.01 O ATOM 0 H TYR A 532 8.018 -4.042 -1.242 1.00 0.37 H new ATOM 0 HA TYR A 532 9.771 -3.932 -3.529 1.00 0.50 H new ATOM 0 HB2 TYR A 532 8.793 -2.013 -2.066 1.00 0.57 H new ATOM 0 HB3 TYR A 532 10.020 -2.452 -0.895 1.00 0.57 H new ATOM 0 HD1 TYR A 532 12.480 -2.420 -1.669 1.00 1.43 H new ATOM 0 HD2 TYR A 532 9.321 -0.643 -3.895 1.00 1.15 H new ATOM 0 HE1 TYR A 532 14.118 -1.064 -2.900 1.00 1.48 H new ATOM 0 HE2 TYR A 532 10.950 0.726 -5.124 1.00 1.24 H new ATOM 0 HH TYR A 532 13.078 1.235 -5.429 1.00 1.01 H new ATOM 1027 N ALA A 540 14.565 1.447 0.434 1.00 0.59 N ATOM 1028 CA ALA A 540 13.294 1.771 -0.192 1.00 0.51 C ATOM 1029 C ALA A 540 12.976 3.254 -0.048 1.00 0.47 C ATOM 1030 O ALA A 540 13.023 3.806 1.054 1.00 0.51 O ATOM 1031 CB ALA A 540 12.180 0.930 0.411 1.00 0.47 C ATOM 0 HA ALA A 540 13.371 1.543 -1.255 1.00 0.51 H new ATOM 0 HB1 ALA A 540 11.234 1.183 -0.067 1.00 0.47 H new ATOM 0 HB2 ALA A 540 12.395 -0.127 0.253 1.00 0.47 H new ATOM 0 HB3 ALA A 540 12.111 1.130 1.480 1.00 0.47 H new ATOM 1037 N PRO A 541 12.675 3.920 -1.170 1.00 0.46 N ATOM 1038 CA PRO A 541 12.304 5.332 -1.189 1.00 0.45 C ATOM 1039 C PRO A 541 10.807 5.530 -0.957 1.00 0.45 C ATOM 1040 O PRO A 541 10.038 4.568 -0.941 1.00 0.60 O ATOM 1041 CB PRO A 541 12.693 5.748 -2.602 1.00 0.49 C ATOM 1042 CG PRO A 541 12.419 4.536 -3.422 1.00 0.53 C ATOM 1043 CD PRO A 541 12.684 3.348 -2.530 1.00 0.52 C ATOM 0 HA PRO A 541 12.788 5.913 -0.404 1.00 0.45 H new ATOM 0 HB2 PRO A 541 12.107 6.601 -2.943 1.00 0.49 H new ATOM 0 HB3 PRO A 541 13.742 6.039 -2.658 1.00 0.49 H new ATOM 0 HG2 PRO A 541 11.389 4.532 -3.777 1.00 0.53 H new ATOM 0 HG3 PRO A 541 13.060 4.510 -4.303 1.00 0.53 H new ATOM 0 HD2 PRO A 541 11.918 2.581 -2.647 1.00 0.52 H new ATOM 0 HD3 PRO A 541 13.641 2.880 -2.761 1.00 0.52 H new ATOM 1051 N LEU A 542 10.394 6.775 -0.777 1.00 0.37 N ATOM 1052 CA LEU A 542 8.994 7.072 -0.521 1.00 0.38 C ATOM 1053 C LEU A 542 8.484 8.120 -1.506 1.00 0.35 C ATOM 1054 O LEU A 542 8.945 9.260 -1.509 1.00 0.43 O ATOM 1055 CB LEU A 542 8.820 7.555 0.922 1.00 0.49 C ATOM 1056 CG LEU A 542 7.376 7.621 1.425 1.00 0.58 C ATOM 1057 CD1 LEU A 542 6.702 6.267 1.276 1.00 0.60 C ATOM 1058 CD2 LEU A 542 7.338 8.075 2.876 1.00 1.40 C ATOM 0 H LEU A 542 11.005 7.592 -0.803 1.00 0.37 H new ATOM 0 HA LEU A 542 8.407 6.164 -0.658 1.00 0.38 H new ATOM 0 HB2 LEU A 542 9.385 6.894 1.579 1.00 0.49 H new ATOM 0 HB3 LEU A 542 9.263 8.547 1.011 1.00 0.49 H new ATOM 0 HG LEU A 542 6.833 8.348 0.822 1.00 0.58 H new ATOM 0 HD11 LEU A 542 5.676 6.330 1.638 1.00 0.60 H new ATOM 0 HD12 LEU A 542 6.699 5.976 0.226 1.00 0.60 H new ATOM 0 HD13 LEU A 542 7.247 5.523 1.857 1.00 0.60 H new ATOM 0 HD21 LEU A 542 6.304 8.116 3.217 1.00 1.40 H new ATOM 0 HD22 LEU A 542 7.896 7.370 3.493 1.00 1.40 H new ATOM 0 HD23 LEU A 542 7.787 9.065 2.960 1.00 1.40 H new ATOM 1070 N HIS A 543 7.543 7.717 -2.353 1.00 0.31 N ATOM 1071 CA HIS A 543 6.977 8.613 -3.361 1.00 0.32 C ATOM 1072 C HIS A 543 5.990 9.589 -2.733 1.00 0.29 C ATOM 1073 O HIS A 543 5.425 9.316 -1.676 1.00 0.33 O ATOM 1074 CB HIS A 543 6.267 7.813 -4.461 1.00 0.43 C ATOM 1075 CG HIS A 543 7.187 7.183 -5.461 1.00 0.62 C ATOM 1076 ND1 HIS A 543 6.755 6.716 -6.685 1.00 0.69 N ATOM 1077 CD2 HIS A 543 8.517 6.935 -5.418 1.00 1.25 C ATOM 1078 CE1 HIS A 543 7.776 6.210 -7.348 1.00 1.06 C ATOM 1079 NE2 HIS A 543 8.856 6.330 -6.602 1.00 1.47 N ATOM 0 H HIS A 543 7.154 6.774 -2.363 1.00 0.31 H new ATOM 0 HA HIS A 543 7.802 9.175 -3.799 1.00 0.32 H new ATOM 0 HB2 HIS A 543 5.667 7.031 -3.995 1.00 0.43 H new ATOM 0 HB3 HIS A 543 5.577 8.474 -4.986 1.00 0.43 H new ATOM 0 HD1 HIS A 543 5.794 6.756 -7.025 1.00 0.69 H new ATOM 0 HD2 HIS A 543 9.186 7.170 -4.604 1.00 1.25 H new ATOM 0 HE1 HIS A 543 7.735 5.772 -8.334 1.00 1.06 H new ATOM 1088 N LYS A 544 5.795 10.726 -3.384 1.00 0.35 N ATOM 1089 CA LYS A 544 4.822 11.714 -2.937 1.00 0.44 C ATOM 1090 C LYS A 544 3.513 11.544 -3.697 1.00 0.43 C ATOM 1091 O LYS A 544 3.513 11.373 -4.914 1.00 0.61 O ATOM 1092 CB LYS A 544 5.364 13.133 -3.157 1.00 0.67 C ATOM 1093 CG LYS A 544 4.345 14.230 -2.875 1.00 1.35 C ATOM 1094 CD LYS A 544 4.805 15.579 -3.407 1.00 1.77 C ATOM 1095 CE LYS A 544 5.959 16.149 -2.597 1.00 2.62 C ATOM 1096 NZ LYS A 544 5.541 16.523 -1.221 1.00 3.40 N ATOM 0 H LYS A 544 6.301 10.989 -4.230 1.00 0.35 H new ATOM 0 HA LYS A 544 4.641 11.563 -1.873 1.00 0.44 H new ATOM 0 HB2 LYS A 544 6.233 13.284 -2.516 1.00 0.67 H new ATOM 0 HB3 LYS A 544 5.708 13.225 -4.187 1.00 0.67 H new ATOM 0 HG2 LYS A 544 3.391 13.966 -3.331 1.00 1.35 H new ATOM 0 HG3 LYS A 544 4.176 14.302 -1.801 1.00 1.35 H new ATOM 0 HD2 LYS A 544 5.111 15.473 -4.448 1.00 1.77 H new ATOM 0 HD3 LYS A 544 3.970 16.279 -3.390 1.00 1.77 H new ATOM 0 HE2 LYS A 544 6.763 15.415 -2.545 1.00 2.62 H new ATOM 0 HE3 LYS A 544 6.360 17.026 -3.105 1.00 2.62 H new ATOM 0 HZ1 LYS A 544 6.275 17.116 -0.784 1.00 3.40 H new ATOM 0 HZ2 LYS A 544 4.647 17.052 -1.262 1.00 3.40 H new ATOM 0 HZ3 LYS A 544 5.408 15.662 -0.653 1.00 3.40 H new ATOM 1110 N LEU A 545 2.399 11.589 -2.981 1.00 0.44 N ATOM 1111 CA LEU A 545 1.094 11.533 -3.622 1.00 0.58 C ATOM 1112 C LEU A 545 0.587 12.941 -3.909 1.00 0.66 C ATOM 1113 O LEU A 545 -0.435 13.366 -3.377 1.00 1.04 O ATOM 1114 CB LEU A 545 0.077 10.775 -2.764 1.00 1.01 C ATOM 1115 CG LEU A 545 0.319 9.270 -2.615 1.00 0.53 C ATOM 1116 CD1 LEU A 545 -0.806 8.629 -1.818 1.00 0.85 C ATOM 1117 CD2 LEU A 545 0.448 8.605 -3.977 1.00 0.67 C ATOM 0 H LEU A 545 2.372 11.664 -1.964 1.00 0.44 H new ATOM 0 HA LEU A 545 1.210 10.992 -4.561 1.00 0.58 H new ATOM 0 HB2 LEU A 545 0.064 11.222 -1.770 1.00 1.01 H new ATOM 0 HB3 LEU A 545 -0.914 10.924 -3.193 1.00 1.01 H new ATOM 0 HG LEU A 545 1.255 9.127 -2.076 1.00 0.53 H new ATOM 0 HD11 LEU A 545 -0.619 7.559 -1.721 1.00 0.85 H new ATOM 0 HD12 LEU A 545 -0.853 9.081 -0.827 1.00 0.85 H new ATOM 0 HD13 LEU A 545 -1.753 8.787 -2.334 1.00 0.85 H new ATOM 0 HD21 LEU A 545 0.619 7.537 -3.845 1.00 0.67 H new ATOM 0 HD22 LEU A 545 -0.470 8.758 -4.545 1.00 0.67 H new ATOM 0 HD23 LEU A 545 1.287 9.043 -4.518 1.00 0.67 H new