USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 354 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: C 483 THR OG1 : rot -120:sc= 1.17 USER MOD Set 1.2: C 489 THR OG1 : rot -55:sc= 1.26 USER MOD Set 2.1: C 462 HIS : no HD1:sc= -1.04 K(o=-1.7,f=0.094) USER MOD Set 2.2: C 463 GLN : amide:sc= -0.937 K(o=-1.7,f=0.045) USER MOD Set 2.3: C 473 TYR OH : rot 58:sc= 0.302 USER MOD Single : C 456 GLN : amide:sc= -0.0404 K(o=-0.04,f=-1.1!) USER MOD Single : C 458 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.43) USER MOD Single : C 460 MET CE :methyl 161:sc= -3.57! (180deg=-4.26!) USER MOD Single : C 465 GLN : amide:sc= -0.335 K(o=-0.34,f=-1.6) USER MOD Single : C 467 MET CE :methyl -177:sc= -0.845 (180deg=-0.882) USER MOD Single : C 470 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 478 GLN : amide:sc= -1.32! K(o=-1.3!,f=-0.0067) USER MOD Single : C 481 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : C 485 SER OG : rot 160:sc= -0.311 USER MOD Single : C 490 THR OG1 : rot 75:sc= 1.25 USER MOD Single : C 492 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.850 -1.341 10.019 1.00 0.00 N ATOM 40 CA GLN C 456 -11.724 -2.190 10.826 1.00 0.00 C ATOM 41 C GLN C 456 -12.275 -3.355 10.005 1.00 0.00 C ATOM 42 O GLN C 456 -12.563 -4.419 10.550 1.00 0.00 O ATOM 43 CB GLN C 456 -12.878 -1.386 11.436 1.00 0.00 C ATOM 44 CG GLN C 456 -13.733 -0.644 10.423 1.00 0.00 C ATOM 45 CD GLN C 456 -15.035 -0.142 11.024 1.00 0.00 C ATOM 46 OE1 GLN C 456 -15.597 -0.763 11.928 1.00 0.00 O ATOM 47 NE2 GLN C 456 -15.517 0.978 10.536 1.00 0.00 N ATOM 0 HA GLN C 456 -11.119 -2.593 11.638 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -13.516 -2.063 12.004 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.468 -0.666 12.144 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -13.170 0.200 10.025 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -13.953 -1.304 9.584 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -15.022 1.463 9.787 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -16.386 1.363 10.906 1.00 0.00 H new ATOM 56 N LEU C 457 -12.402 -3.151 8.691 1.00 0.00 N ATOM 57 CA LEU C 457 -12.902 -4.187 7.796 1.00 0.00 C ATOM 58 C LEU C 457 -12.037 -5.431 7.891 1.00 0.00 C ATOM 59 O LEU C 457 -12.544 -6.553 7.883 1.00 0.00 O ATOM 60 CB LEU C 457 -12.921 -3.687 6.349 1.00 0.00 C ATOM 61 CG LEU C 457 -13.831 -2.493 6.061 1.00 0.00 C ATOM 62 CD1 LEU C 457 -13.714 -2.091 4.611 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.267 -2.832 6.380 1.00 0.00 C ATOM 0 H LEU C 457 -12.164 -2.275 8.227 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.920 -4.433 8.099 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -11.903 -3.419 6.066 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.224 -4.512 5.705 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.518 -1.661 6.692 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -14.366 -1.240 4.416 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -12.682 -1.816 4.392 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.009 -2.927 3.977 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.900 -1.970 6.169 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.586 -3.675 5.768 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.353 -3.096 7.434 1.00 0.00 H new ATOM 75 N ASN C 458 -10.733 -5.218 8.009 1.00 0.00 N ATOM 76 CA ASN C 458 -9.773 -6.307 8.088 1.00 0.00 C ATOM 77 C ASN C 458 -10.050 -7.169 9.301 1.00 0.00 C ATOM 78 O ASN C 458 -10.169 -8.382 9.186 1.00 0.00 O ATOM 79 CB ASN C 458 -8.339 -5.766 8.156 1.00 0.00 C ATOM 80 CG ASN C 458 -7.981 -4.885 6.974 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.493 -5.064 5.870 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.111 -3.925 7.200 1.00 0.00 N ATOM 0 H ASN C 458 -10.314 -4.289 8.052 1.00 0.00 H new ATOM 0 HA ASN C 458 -9.877 -6.912 7.188 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.215 -5.197 9.077 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.643 -6.603 8.202 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -6.838 -3.296 6.445 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -6.709 -3.810 8.130 1.00 0.00 H new ATOM 89 N ALA C 459 -10.173 -6.529 10.458 1.00 0.00 N ATOM 90 CA ALA C 459 -10.432 -7.233 11.709 1.00 0.00 C ATOM 91 C ALA C 459 -11.791 -7.919 11.691 1.00 0.00 C ATOM 92 O ALA C 459 -11.904 -9.088 12.065 1.00 0.00 O ATOM 93 CB ALA C 459 -10.340 -6.272 12.881 1.00 0.00 C ATOM 0 H ALA C 459 -10.097 -5.517 10.556 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.672 -8.006 11.822 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -10.535 -6.810 13.809 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -9.341 -5.837 12.917 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -11.077 -5.478 12.760 1.00 0.00 H new ATOM 99 N MET C 460 -12.821 -7.199 11.242 1.00 0.00 N ATOM 100 CA MET C 460 -14.168 -7.754 11.197 1.00 0.00 C ATOM 101 C MET C 460 -14.211 -9.002 10.325 1.00 0.00 C ATOM 102 O MET C 460 -14.746 -10.032 10.729 1.00 0.00 O ATOM 103 CB MET C 460 -15.185 -6.718 10.702 1.00 0.00 C ATOM 104 CG MET C 460 -15.245 -5.453 11.551 1.00 0.00 C ATOM 105 SD MET C 460 -16.720 -4.461 11.236 1.00 0.00 S ATOM 106 CE MET C 460 -16.417 -3.938 9.562 1.00 0.00 C ATOM 0 H MET C 460 -12.746 -6.238 10.908 1.00 0.00 H new ATOM 0 HA MET C 460 -14.442 -8.033 12.214 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.939 -6.443 9.676 1.00 0.00 H new ATOM 0 HB3 MET C 460 -16.174 -7.176 10.681 1.00 0.00 H new ATOM 0 HG2 MET C 460 -15.217 -5.728 12.605 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.359 -4.849 11.356 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.353 -3.614 9.107 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.708 -3.110 9.562 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.005 -4.769 8.990 1.00 0.00 H new ATOM 116 N ALA C 461 -13.621 -8.914 9.139 1.00 0.00 N ATOM 117 CA ALA C 461 -13.574 -10.047 8.229 1.00 0.00 C ATOM 118 C ALA C 461 -12.669 -11.140 8.780 1.00 0.00 C ATOM 119 O ALA C 461 -12.910 -12.329 8.570 1.00 0.00 O ATOM 120 CB ALA C 461 -13.088 -9.604 6.860 1.00 0.00 C ATOM 0 H ALA C 461 -13.169 -8.070 8.787 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.582 -10.450 8.130 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.058 -10.463 6.189 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.768 -8.853 6.458 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.089 -9.178 6.949 1.00 0.00 H new ATOM 126 N HIS C 462 -11.635 -10.722 9.496 1.00 0.00 N ATOM 127 CA HIS C 462 -10.674 -11.639 10.090 1.00 0.00 C ATOM 128 C HIS C 462 -11.363 -12.575 11.075 1.00 0.00 C ATOM 129 O HIS C 462 -11.268 -13.785 10.945 1.00 0.00 O ATOM 130 CB HIS C 462 -9.555 -10.847 10.784 1.00 0.00 C ATOM 131 CG HIS C 462 -8.413 -11.677 11.276 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.409 -12.142 10.457 1.00 0.00 N ATOM 133 CD2 HIS C 462 -8.115 -12.117 12.514 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.548 -12.835 11.174 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.953 -12.833 12.426 1.00 0.00 N ATOM 0 H HIS C 462 -11.439 -9.738 9.681 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.234 -12.247 9.300 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.171 -10.102 10.088 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.982 -10.305 11.628 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.688 -11.937 13.411 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -5.660 -13.322 10.798 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -6.478 -13.291 13.204 1.00 0.00 H new ATOM 144 N GLN C 463 -12.079 -12.000 12.041 1.00 0.00 N ATOM 145 CA GLN C 463 -12.786 -12.793 13.056 1.00 0.00 C ATOM 146 C GLN C 463 -13.767 -13.770 12.420 1.00 0.00 C ATOM 147 O GLN C 463 -13.902 -14.909 12.877 1.00 0.00 O ATOM 148 CB GLN C 463 -13.522 -11.891 14.052 1.00 0.00 C ATOM 149 CG GLN C 463 -12.697 -11.474 15.267 1.00 0.00 C ATOM 150 CD GLN C 463 -11.496 -10.622 14.919 1.00 0.00 C ATOM 151 OE1 GLN C 463 -11.585 -9.398 14.865 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.364 -11.256 14.702 1.00 0.00 N ATOM 0 H GLN C 463 -12.187 -10.991 12.145 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.030 -13.365 13.594 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.855 -10.993 13.531 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.416 -12.409 14.398 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.335 -10.923 15.958 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.358 -12.368 15.790 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.331 -12.274 14.756 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.519 -10.730 14.480 1.00 0.00 H new ATOM 161 N ILE C 464 -14.442 -13.329 11.366 1.00 0.00 N ATOM 162 CA ILE C 464 -15.396 -14.177 10.667 1.00 0.00 C ATOM 163 C ILE C 464 -14.683 -15.320 9.961 1.00 0.00 C ATOM 164 O ILE C 464 -15.082 -16.472 10.083 1.00 0.00 O ATOM 165 CB ILE C 464 -16.222 -13.384 9.637 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.941 -12.224 10.320 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.227 -14.300 8.948 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.683 -11.315 9.366 1.00 0.00 C ATOM 0 H ILE C 464 -14.346 -12.391 10.978 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.075 -14.577 11.420 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.547 -12.980 8.882 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.647 -12.625 11.047 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.212 -11.634 10.875 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.804 -13.727 8.223 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.696 -15.103 8.436 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.900 -14.726 9.692 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.167 -10.516 9.927 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.980 -10.883 8.654 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.437 -11.890 8.828 1.00 0.00 H new ATOM 180 N GLN C 465 -13.616 -14.998 9.240 1.00 0.00 N ATOM 181 CA GLN C 465 -12.839 -16.003 8.515 1.00 0.00 C ATOM 182 C GLN C 465 -12.245 -17.020 9.498 1.00 0.00 C ATOM 183 O GLN C 465 -12.125 -18.207 9.190 1.00 0.00 O ATOM 184 CB GLN C 465 -11.736 -15.317 7.688 1.00 0.00 C ATOM 185 CG GLN C 465 -11.111 -16.193 6.598 1.00 0.00 C ATOM 186 CD GLN C 465 -10.058 -17.146 7.124 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.367 -16.851 8.097 1.00 0.00 O ATOM 188 NE2 GLN C 465 -9.929 -18.288 6.484 1.00 0.00 N ATOM 0 H GLN C 465 -13.266 -14.045 9.140 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.494 -16.540 7.829 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.153 -14.424 7.222 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.948 -14.985 8.364 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -11.897 -16.767 6.108 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.664 -15.552 5.839 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -10.524 -18.492 5.681 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -9.235 -18.969 6.791 1.00 0.00 H new ATOM 197 N GLU C 466 -11.888 -16.537 10.686 1.00 0.00 N ATOM 198 CA GLU C 466 -11.365 -17.387 11.750 1.00 0.00 C ATOM 199 C GLU C 466 -12.400 -18.435 12.165 1.00 0.00 C ATOM 200 O GLU C 466 -12.055 -19.566 12.519 1.00 0.00 O ATOM 201 CB GLU C 466 -10.992 -16.529 12.962 1.00 0.00 C ATOM 202 CG GLU C 466 -9.801 -15.618 12.743 1.00 0.00 C ATOM 203 CD GLU C 466 -8.514 -16.380 12.562 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.021 -16.956 13.546 1.00 0.00 O ATOM 205 OE2 GLU C 466 -7.984 -16.397 11.437 1.00 0.00 O ATOM 0 H GLU C 466 -11.953 -15.550 10.936 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.479 -17.900 11.377 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.853 -15.921 13.240 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.781 -17.186 13.806 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -9.979 -14.999 11.864 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.703 -14.943 13.594 1.00 0.00 H new ATOM 212 N MET C 467 -13.666 -18.052 12.108 1.00 0.00 N ATOM 213 CA MET C 467 -14.753 -18.935 12.485 1.00 0.00 C ATOM 214 C MET C 467 -15.228 -19.758 11.300 1.00 0.00 C ATOM 215 O MET C 467 -15.529 -20.943 11.435 1.00 0.00 O ATOM 216 CB MET C 467 -15.927 -18.131 13.036 1.00 0.00 C ATOM 217 CG MET C 467 -15.625 -17.365 14.308 1.00 0.00 C ATOM 218 SD MET C 467 -17.090 -16.572 15.001 1.00 0.00 S ATOM 219 CE MET C 467 -17.573 -15.490 13.653 1.00 0.00 C ATOM 0 H MET C 467 -13.965 -17.126 11.801 1.00 0.00 H new ATOM 0 HA MET C 467 -14.376 -19.608 13.255 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.258 -17.426 12.273 1.00 0.00 H new ATOM 0 HB3 MET C 467 -16.759 -18.810 13.225 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.201 -18.046 15.046 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.869 -16.607 14.101 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.435 -14.895 13.955 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.744 -14.828 13.403 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.834 -16.090 12.781 1.00 0.00 H new ATOM 229 N PHE C 468 -15.295 -19.128 10.145 1.00 0.00 N ATOM 230 CA PHE C 468 -15.801 -19.764 8.947 1.00 0.00 C ATOM 231 C PHE C 468 -14.739 -19.855 7.853 1.00 0.00 C ATOM 232 O PHE C 468 -14.636 -18.971 7.006 1.00 0.00 O ATOM 233 CB PHE C 468 -17.031 -19.008 8.430 1.00 0.00 C ATOM 234 CG PHE C 468 -18.223 -19.111 9.336 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.394 -18.220 10.385 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.169 -20.100 9.143 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.487 -18.319 11.222 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.262 -20.204 9.977 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.422 -19.312 11.018 1.00 0.00 C ATOM 0 H PHE C 468 -15.000 -18.161 10.011 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.084 -20.783 9.211 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.773 -17.957 8.300 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.298 -19.394 7.446 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.664 -17.441 10.549 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.051 -20.800 8.329 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.610 -17.620 12.036 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -20.992 -20.983 9.816 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.278 -19.392 11.672 1.00 0.00 H new ATOM 249 N PRO C 469 -13.921 -20.925 7.867 1.00 0.00 N ATOM 250 CA PRO C 469 -12.890 -21.150 6.843 1.00 0.00 C ATOM 251 C PRO C 469 -13.497 -21.392 5.457 1.00 0.00 C ATOM 252 O PRO C 469 -12.807 -21.294 4.435 1.00 0.00 O ATOM 253 CB PRO C 469 -12.174 -22.415 7.329 1.00 0.00 C ATOM 254 CG PRO C 469 -13.147 -23.082 8.227 1.00 0.00 C ATOM 255 CD PRO C 469 -13.906 -21.980 8.892 1.00 0.00 C ATOM 0 HA PRO C 469 -12.235 -20.286 6.730 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.901 -23.060 6.494 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.253 -22.169 7.857 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.816 -23.734 7.665 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.638 -23.705 8.962 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.914 -22.292 9.165 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.416 -21.647 9.807 1.00 0.00 H new ATOM 263 N GLN C 470 -14.790 -21.700 5.437 1.00 0.00 N ATOM 264 CA GLN C 470 -15.516 -21.978 4.201 1.00 0.00 C ATOM 265 C GLN C 470 -15.638 -20.737 3.312 1.00 0.00 C ATOM 266 O GLN C 470 -15.720 -20.848 2.090 1.00 0.00 O ATOM 267 CB GLN C 470 -16.911 -22.535 4.514 1.00 0.00 C ATOM 268 CG GLN C 470 -17.739 -21.651 5.439 1.00 0.00 C ATOM 269 CD GLN C 470 -19.167 -22.139 5.600 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.446 -23.333 5.494 1.00 0.00 O ATOM 271 NE2 GLN C 470 -20.076 -21.221 5.871 1.00 0.00 N ATOM 0 H GLN C 470 -15.365 -21.764 6.277 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.941 -22.724 3.652 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -17.454 -22.673 3.579 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.804 -23.520 4.969 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.262 -21.611 6.418 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.750 -20.634 5.047 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.803 -20.241 5.951 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -21.051 -21.491 6.001 1.00 0.00 H new ATOM 280 N VAL C 471 -15.637 -19.565 3.916 1.00 0.00 N ATOM 281 CA VAL C 471 -15.788 -18.335 3.159 1.00 0.00 C ATOM 282 C VAL C 471 -14.442 -17.609 2.997 1.00 0.00 C ATOM 283 O VAL C 471 -13.732 -17.371 3.976 1.00 0.00 O ATOM 284 CB VAL C 471 -16.846 -17.394 3.805 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.455 -17.002 5.222 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.079 -16.159 2.942 1.00 0.00 C ATOM 0 H VAL C 471 -15.534 -19.437 4.923 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.146 -18.609 2.167 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.783 -17.948 3.864 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.217 -16.345 5.641 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.370 -17.898 5.837 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.497 -16.482 5.204 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.823 -15.519 3.416 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.144 -15.610 2.833 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.437 -16.464 1.959 1.00 0.00 H new ATOM 296 N PRO C 472 -14.054 -17.305 1.741 1.00 0.00 N ATOM 297 CA PRO C 472 -12.813 -16.577 1.442 1.00 0.00 C ATOM 298 C PRO C 472 -12.770 -15.213 2.121 1.00 0.00 C ATOM 299 O PRO C 472 -13.761 -14.481 2.138 1.00 0.00 O ATOM 300 CB PRO C 472 -12.853 -16.406 -0.078 1.00 0.00 C ATOM 301 CG PRO C 472 -13.731 -17.503 -0.550 1.00 0.00 C ATOM 302 CD PRO C 472 -14.774 -17.671 0.515 1.00 0.00 C ATOM 0 HA PRO C 472 -11.933 -17.111 1.802 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.251 -15.430 -0.358 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -11.856 -16.480 -0.512 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -14.186 -17.256 -1.509 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -13.165 -18.424 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.634 -17.024 0.343 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.148 -18.694 0.556 1.00 0.00 H new ATOM 310 N TYR C 473 -11.603 -14.881 2.645 1.00 0.00 N ATOM 311 CA TYR C 473 -11.365 -13.642 3.391 1.00 0.00 C ATOM 312 C TYR C 473 -11.842 -12.407 2.613 1.00 0.00 C ATOM 313 O TYR C 473 -12.486 -11.516 3.172 1.00 0.00 O ATOM 314 CB TYR C 473 -9.865 -13.526 3.681 1.00 0.00 C ATOM 315 CG TYR C 473 -9.496 -12.593 4.816 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.539 -11.214 4.663 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.085 -13.104 6.036 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.183 -10.372 5.699 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.732 -12.272 7.073 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.781 -10.910 6.902 1.00 0.00 C ATOM 321 OH TYR C 473 -8.421 -10.083 7.937 1.00 0.00 O ATOM 0 H TYR C 473 -10.775 -15.471 2.567 1.00 0.00 H new ATOM 0 HA TYR C 473 -11.934 -13.681 4.320 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.478 -14.519 3.908 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.362 -13.187 2.776 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -9.855 -10.793 3.720 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.041 -14.174 6.176 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.220 -9.301 5.567 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.417 -12.688 8.019 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.168 -9.487 8.154 1.00 0.00 H new ATOM 331 N HIS C 474 -11.537 -12.372 1.330 1.00 0.00 N ATOM 332 CA HIS C 474 -11.875 -11.231 0.490 1.00 0.00 C ATOM 333 C HIS C 474 -13.379 -11.139 0.255 1.00 0.00 C ATOM 334 O HIS C 474 -13.930 -10.042 0.167 1.00 0.00 O ATOM 335 CB HIS C 474 -11.136 -11.322 -0.837 1.00 0.00 C ATOM 336 CG HIS C 474 -11.009 -10.013 -1.556 1.00 0.00 C ATOM 337 ND1 HIS C 474 -9.825 -9.317 -1.644 1.00 0.00 N ATOM 338 CD2 HIS C 474 -11.920 -9.280 -2.235 1.00 0.00 C ATOM 339 CE1 HIS C 474 -10.014 -8.218 -2.346 1.00 0.00 C ATOM 340 NE2 HIS C 474 -11.275 -8.171 -2.715 1.00 0.00 N ATOM 0 H HIS C 474 -11.052 -13.124 0.841 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.564 -10.325 1.010 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -10.139 -11.725 -0.659 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.655 -12.030 -1.482 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -12.963 -9.524 -2.373 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -9.260 -7.480 -2.579 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -11.703 -7.429 -3.269 1.00 0.00 H new ATOM 349 N LEU C 475 -14.045 -12.286 0.161 1.00 0.00 N ATOM 350 CA LEU C 475 -15.486 -12.294 -0.027 1.00 0.00 C ATOM 351 C LEU C 475 -16.171 -11.788 1.223 1.00 0.00 C ATOM 352 O LEU C 475 -17.266 -11.227 1.163 1.00 0.00 O ATOM 353 CB LEU C 475 -16.002 -13.688 -0.396 1.00 0.00 C ATOM 354 CG LEU C 475 -15.621 -14.194 -1.791 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.365 -15.475 -2.116 1.00 0.00 C ATOM 356 CD2 LEU C 475 -15.901 -13.136 -2.846 1.00 0.00 C ATOM 0 H LEU C 475 -13.614 -13.209 0.211 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.721 -11.630 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -15.630 -14.399 0.342 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.089 -13.685 -0.316 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.551 -14.404 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.081 -15.818 -3.111 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.111 -16.240 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.439 -15.289 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.622 -13.519 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -16.963 -12.889 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.319 -12.241 -2.627 1.00 0.00 H new ATOM 368 N VAL C 476 -15.508 -11.972 2.356 1.00 0.00 N ATOM 369 CA VAL C 476 -16.014 -11.469 3.613 1.00 0.00 C ATOM 370 C VAL C 476 -15.861 -9.953 3.624 1.00 0.00 C ATOM 371 O VAL C 476 -16.820 -9.225 3.850 1.00 0.00 O ATOM 372 CB VAL C 476 -15.263 -12.080 4.823 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.918 -11.667 6.126 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.209 -13.591 4.722 1.00 0.00 C ATOM 0 H VAL C 476 -14.619 -12.467 2.424 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.063 -11.752 3.705 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.242 -11.697 4.809 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.374 -12.107 6.962 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.901 -10.581 6.214 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.951 -12.016 6.141 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.677 -13.994 5.583 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.223 -13.991 4.702 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.689 -13.876 3.808 1.00 0.00 H new ATOM 384 N LEU C 477 -14.640 -9.493 3.327 1.00 0.00 N ATOM 385 CA LEU C 477 -14.323 -8.060 3.222 1.00 0.00 C ATOM 386 C LEU C 477 -15.327 -7.347 2.321 1.00 0.00 C ATOM 387 O LEU C 477 -15.737 -6.216 2.594 1.00 0.00 O ATOM 388 CB LEU C 477 -12.916 -7.891 2.638 1.00 0.00 C ATOM 389 CG LEU C 477 -11.749 -8.170 3.579 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.442 -8.174 2.804 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.696 -7.128 4.682 1.00 0.00 C ATOM 0 H LEU C 477 -13.841 -10.103 3.152 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.372 -7.621 4.219 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.824 -8.551 1.775 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.820 -6.870 2.270 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.896 -9.150 4.032 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.615 -8.374 3.486 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.476 -8.948 2.038 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.296 -7.202 2.332 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.857 -7.342 5.345 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.568 -6.139 4.242 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.625 -7.154 5.252 1.00 0.00 H new ATOM 403 N GLN C 478 -15.710 -8.023 1.249 1.00 0.00 N ATOM 404 CA GLN C 478 -16.666 -7.511 0.296 1.00 0.00 C ATOM 405 C GLN C 478 -17.988 -7.159 0.985 1.00 0.00 C ATOM 406 O GLN C 478 -18.483 -6.037 0.861 1.00 0.00 O ATOM 407 CB GLN C 478 -16.904 -8.558 -0.788 1.00 0.00 C ATOM 408 CG GLN C 478 -17.821 -8.110 -1.901 1.00 0.00 C ATOM 409 CD GLN C 478 -18.109 -9.217 -2.902 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.307 -8.962 -4.089 1.00 0.00 O ATOM 411 NE2 GLN C 478 -18.151 -10.450 -2.427 1.00 0.00 N ATOM 0 H GLN C 478 -15.358 -8.952 1.019 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.266 -6.601 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -15.944 -8.842 -1.218 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.324 -9.452 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -18.760 -7.758 -1.474 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -17.370 -7.264 -2.420 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -17.981 -10.621 -1.436 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -18.353 -11.231 -3.052 1.00 0.00 H new ATOM 420 N ASP C 479 -18.531 -8.113 1.738 1.00 0.00 N ATOM 421 CA ASP C 479 -19.818 -7.933 2.418 1.00 0.00 C ATOM 422 C ASP C 479 -19.717 -6.895 3.520 1.00 0.00 C ATOM 423 O ASP C 479 -20.674 -6.194 3.808 1.00 0.00 O ATOM 424 CB ASP C 479 -20.306 -9.251 3.005 1.00 0.00 C ATOM 425 CG ASP C 479 -21.753 -9.184 3.474 1.00 0.00 C ATOM 426 OD1 ASP C 479 -21.999 -8.824 4.649 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.648 -9.500 2.665 1.00 0.00 O ATOM 0 H ASP C 479 -18.100 -9.024 1.895 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.534 -7.584 1.674 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.207 -10.037 2.256 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.669 -9.529 3.844 1.00 0.00 H new ATOM 432 N LEU C 480 -18.544 -6.779 4.110 1.00 0.00 N ATOM 433 CA LEU C 480 -18.320 -5.829 5.188 1.00 0.00 C ATOM 434 C LEU C 480 -18.394 -4.405 4.684 1.00 0.00 C ATOM 435 O LEU C 480 -18.579 -3.478 5.453 1.00 0.00 O ATOM 436 CB LEU C 480 -16.984 -6.080 5.893 1.00 0.00 C ATOM 437 CG LEU C 480 -17.030 -7.017 7.102 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.087 -6.568 8.088 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.302 -8.418 6.671 1.00 0.00 C ATOM 0 H LEU C 480 -17.725 -7.333 3.861 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.116 -5.977 5.918 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.284 -6.491 5.166 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.581 -5.121 6.217 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.057 -6.982 7.591 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.103 -7.248 8.940 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.858 -5.560 8.433 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.063 -6.572 7.602 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.331 -9.069 7.545 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.261 -8.460 6.155 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.513 -8.751 5.997 1.00 0.00 H new ATOM 451 N GLN C 481 -18.234 -4.238 3.398 1.00 0.00 N ATOM 452 CA GLN C 481 -18.373 -2.944 2.791 1.00 0.00 C ATOM 453 C GLN C 481 -19.820 -2.725 2.377 1.00 0.00 C ATOM 454 O GLN C 481 -20.268 -1.593 2.197 1.00 0.00 O ATOM 455 CB GLN C 481 -17.443 -2.822 1.601 1.00 0.00 C ATOM 456 CG GLN C 481 -15.985 -2.888 1.985 1.00 0.00 C ATOM 457 CD GLN C 481 -15.052 -2.845 0.799 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.358 -2.256 -0.241 1.00 0.00 O ATOM 459 NE2 GLN C 481 -13.905 -3.468 0.949 1.00 0.00 N ATOM 0 H GLN C 481 -18.005 -4.990 2.747 1.00 0.00 H new ATOM 0 HA GLN C 481 -18.099 -2.175 3.513 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.663 -3.620 0.891 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.637 -1.879 1.090 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.754 -2.056 2.651 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.806 -3.805 2.546 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.693 -3.942 1.827 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.226 -3.477 0.188 1.00 0.00 H new ATOM 468 N LEU C 482 -20.548 -3.823 2.245 1.00 0.00 N ATOM 469 CA LEU C 482 -21.939 -3.784 1.851 1.00 0.00 C ATOM 470 C LEU C 482 -22.835 -3.596 3.072 1.00 0.00 C ATOM 471 O LEU C 482 -23.698 -2.714 3.096 1.00 0.00 O ATOM 472 CB LEU C 482 -22.319 -5.087 1.139 1.00 0.00 C ATOM 473 CG LEU C 482 -21.355 -5.577 0.055 1.00 0.00 C ATOM 474 CD1 LEU C 482 -21.926 -6.780 -0.668 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.019 -4.468 -0.923 1.00 0.00 C ATOM 0 H LEU C 482 -20.187 -4.763 2.409 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.080 -2.943 1.173 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.415 -5.871 1.890 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.302 -4.955 0.688 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.429 -5.881 0.544 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.224 -7.111 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.093 -7.587 0.045 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -22.872 -6.508 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.333 -4.847 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -21.932 -4.117 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.550 -3.642 -0.389 1.00 0.00 H new ATOM 487 N THR C 483 -22.630 -4.422 4.085 1.00 0.00 N ATOM 488 CA THR C 483 -23.441 -4.368 5.280 1.00 0.00 C ATOM 489 C THR C 483 -22.767 -3.559 6.372 1.00 0.00 C ATOM 490 O THR C 483 -23.442 -2.965 7.217 1.00 0.00 O ATOM 491 CB THR C 483 -23.742 -5.780 5.808 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.513 -6.490 6.015 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.615 -6.541 4.826 1.00 0.00 C ATOM 0 H THR C 483 -21.905 -5.139 4.099 1.00 0.00 H new ATOM 0 HA THR C 483 -24.376 -3.880 5.007 1.00 0.00 H new ATOM 0 HB THR C 483 -24.276 -5.693 6.754 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.500 -7.292 5.452 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.818 -7.538 5.216 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.555 -6.008 4.686 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.099 -6.624 3.869 1.00 0.00 H new ATOM 501 N ARG C 484 -21.424 -3.543 6.354 1.00 0.00 N ATOM 502 CA ARG C 484 -20.632 -2.822 7.349 1.00 0.00 C ATOM 503 C ARG C 484 -20.824 -3.428 8.735 1.00 0.00 C ATOM 504 O ARG C 484 -20.494 -2.811 9.745 1.00 0.00 O ATOM 505 CB ARG C 484 -20.995 -1.332 7.357 1.00 0.00 C ATOM 506 CG ARG C 484 -20.792 -0.635 6.021 1.00 0.00 C ATOM 507 CD ARG C 484 -19.319 -0.440 5.707 1.00 0.00 C ATOM 508 NE ARG C 484 -19.113 0.013 4.333 1.00 0.00 N ATOM 509 CZ ARG C 484 -17.934 0.373 3.823 1.00 0.00 C ATOM 510 NH1 ARG C 484 -16.852 0.404 4.592 1.00 0.00 N ATOM 511 NH2 ARG C 484 -17.842 0.712 2.542 1.00 0.00 N ATOM 0 H ARG C 484 -20.865 -4.028 5.652 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.581 -2.916 7.077 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -22.038 -1.225 7.655 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -20.394 -0.827 8.113 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -21.258 -1.222 5.230 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -21.292 0.333 6.036 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -18.893 0.288 6.398 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -18.786 -1.378 5.864 1.00 0.00 H new ATOM 0 HE ARG C 484 -19.928 0.057 3.721 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -16.920 0.152 5.578 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -15.953 0.680 4.197 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -18.672 0.697 1.950 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -16.941 0.987 2.151 1.00 0.00 H new ATOM 525 N SER C 485 -21.332 -4.652 8.772 1.00 0.00 N ATOM 526 CA SER C 485 -21.601 -5.319 10.022 1.00 0.00 C ATOM 527 C SER C 485 -21.167 -6.767 9.970 1.00 0.00 C ATOM 528 O SER C 485 -21.790 -7.581 9.291 1.00 0.00 O ATOM 529 CB SER C 485 -23.088 -5.251 10.345 1.00 0.00 C ATOM 530 OG SER C 485 -23.368 -5.845 11.606 1.00 0.00 O ATOM 0 H SER C 485 -21.564 -5.199 7.943 1.00 0.00 H new ATOM 0 HA SER C 485 -21.033 -4.810 10.801 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.415 -4.211 10.349 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.656 -5.760 9.566 1.00 0.00 H new ATOM 0 HG SER C 485 -24.231 -5.519 11.937 1.00 0.00 H new ATOM 536 N VAL C 486 -20.098 -7.087 10.692 1.00 0.00 N ATOM 537 CA VAL C 486 -19.608 -8.461 10.782 1.00 0.00 C ATOM 538 C VAL C 486 -20.717 -9.399 11.276 1.00 0.00 C ATOM 539 O VAL C 486 -20.815 -10.553 10.840 1.00 0.00 O ATOM 540 CB VAL C 486 -18.333 -8.567 11.696 1.00 0.00 C ATOM 541 CG1 VAL C 486 -18.174 -7.329 12.552 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.360 -9.808 12.580 1.00 0.00 C ATOM 0 H VAL C 486 -19.551 -6.411 11.226 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.314 -8.772 9.780 1.00 0.00 H new ATOM 0 HB VAL C 486 -17.476 -8.651 11.028 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -17.285 -7.429 13.174 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -18.072 -6.454 11.910 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -19.051 -7.212 13.189 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.459 -9.838 13.193 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.237 -9.776 13.226 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -18.403 -10.700 11.954 1.00 0.00 H new ATOM 552 N GLU C 487 -21.565 -8.884 12.157 1.00 0.00 N ATOM 553 CA GLU C 487 -22.680 -9.646 12.684 1.00 0.00 C ATOM 554 C GLU C 487 -23.644 -10.042 11.574 1.00 0.00 C ATOM 555 O GLU C 487 -24.109 -11.192 11.521 1.00 0.00 O ATOM 556 CB GLU C 487 -23.399 -8.857 13.769 1.00 0.00 C ATOM 557 CG GLU C 487 -22.589 -8.725 15.039 1.00 0.00 C ATOM 558 CD GLU C 487 -22.278 -10.071 15.653 1.00 0.00 C ATOM 559 OE1 GLU C 487 -23.094 -10.560 16.462 1.00 0.00 O ATOM 560 OE2 GLU C 487 -21.223 -10.658 15.322 1.00 0.00 O ATOM 0 H GLU C 487 -21.497 -7.934 12.521 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.287 -10.561 13.127 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -23.636 -7.863 13.391 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.346 -9.345 13.998 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -21.658 -8.201 14.823 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -23.138 -8.116 15.758 1.00 0.00 H new ATOM 567 N ILE C 488 -23.941 -9.102 10.680 1.00 0.00 N ATOM 568 CA ILE C 488 -24.808 -9.396 9.552 1.00 0.00 C ATOM 569 C ILE C 488 -24.093 -10.323 8.595 1.00 0.00 C ATOM 570 O ILE C 488 -24.615 -11.340 8.241 1.00 0.00 O ATOM 571 CB ILE C 488 -25.254 -8.130 8.791 1.00 0.00 C ATOM 572 CG1 ILE C 488 -25.923 -7.136 9.748 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.211 -8.504 7.660 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.395 -5.860 9.078 1.00 0.00 C ATOM 0 H ILE C 488 -23.597 -8.143 10.717 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.705 -9.867 9.954 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.372 -7.655 8.361 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.775 -7.622 10.223 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.220 -6.880 10.540 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.519 -7.602 7.131 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.709 -9.179 6.967 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.089 -8.998 8.075 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.857 -5.209 9.820 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.544 -5.350 8.627 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.124 -6.103 8.305 1.00 0.00 H new ATOM 586 N THR C 489 -22.883 -9.942 8.200 1.00 0.00 N ATOM 587 CA THR C 489 -22.030 -10.733 7.321 1.00 0.00 C ATOM 588 C THR C 489 -21.977 -12.215 7.740 1.00 0.00 C ATOM 589 O THR C 489 -22.091 -13.101 6.899 1.00 0.00 O ATOM 590 CB THR C 489 -20.610 -10.149 7.313 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.674 -8.759 6.991 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.724 -10.853 6.300 1.00 0.00 C ATOM 0 H THR C 489 -22.460 -9.059 8.487 1.00 0.00 H new ATOM 0 HA THR C 489 -22.460 -10.688 6.321 1.00 0.00 H new ATOM 0 HB THR C 489 -20.179 -10.293 8.304 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.157 -8.641 6.147 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.727 -10.414 6.322 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.659 -11.913 6.547 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.149 -10.738 5.303 1.00 0.00 H new ATOM 600 N THR C 490 -21.825 -12.475 9.036 1.00 0.00 N ATOM 601 CA THR C 490 -21.779 -13.846 9.527 1.00 0.00 C ATOM 602 C THR C 490 -23.115 -14.550 9.266 1.00 0.00 C ATOM 603 O THR C 490 -23.153 -15.682 8.773 1.00 0.00 O ATOM 604 CB THR C 490 -21.451 -13.898 11.037 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.268 -13.130 11.310 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.224 -15.334 11.480 1.00 0.00 C ATOM 0 H THR C 490 -21.732 -11.760 9.758 1.00 0.00 H new ATOM 0 HA THR C 490 -20.984 -14.361 8.987 1.00 0.00 H new ATOM 0 HB THR C 490 -22.295 -13.480 11.586 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.481 -12.174 11.266 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.994 -15.354 12.545 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.124 -15.919 11.292 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.391 -15.760 10.921 1.00 0.00 H new ATOM 614 N ASP C 491 -24.206 -13.856 9.569 1.00 0.00 N ATOM 615 CA ASP C 491 -25.552 -14.388 9.338 1.00 0.00 C ATOM 616 C ASP C 491 -25.802 -14.481 7.846 1.00 0.00 C ATOM 617 O ASP C 491 -26.449 -15.405 7.362 1.00 0.00 O ATOM 618 CB ASP C 491 -26.598 -13.480 9.993 1.00 0.00 C ATOM 619 CG ASP C 491 -28.010 -14.007 9.843 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.350 -15.005 10.514 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.799 -13.406 9.077 1.00 0.00 O ATOM 0 H ASP C 491 -24.189 -12.921 9.976 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.631 -15.381 9.781 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.366 -13.372 11.053 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.537 -12.486 9.551 1.00 0.00 H new ATOM 626 N ASN C 492 -25.259 -13.514 7.133 1.00 0.00 N ATOM 627 CA ASN C 492 -25.327 -13.447 5.696 1.00 0.00 C ATOM 628 C ASN C 492 -24.757 -14.722 5.087 1.00 0.00 C ATOM 629 O ASN C 492 -25.392 -15.367 4.258 1.00 0.00 O ATOM 630 CB ASN C 492 -24.552 -12.209 5.188 1.00 0.00 C ATOM 631 CG ASN C 492 -25.454 -11.037 4.878 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.649 -11.202 4.631 1.00 0.00 O ATOM 633 ND2 ASN C 492 -24.881 -9.851 4.845 1.00 0.00 N ATOM 0 H ASN C 492 -24.747 -12.737 7.552 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.369 -13.353 5.391 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.822 -11.910 5.940 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -23.994 -12.479 4.291 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.431 -9.025 4.608 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -23.887 -9.759 5.057 1.00 0.00 H new ATOM 640 N ILE C 493 -23.561 -15.091 5.526 1.00 0.00 N ATOM 641 CA ILE C 493 -22.910 -16.312 5.069 1.00 0.00 C ATOM 642 C ILE C 493 -23.787 -17.529 5.367 1.00 0.00 C ATOM 643 O ILE C 493 -24.019 -18.372 4.501 1.00 0.00 O ATOM 644 CB ILE C 493 -21.546 -16.511 5.773 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.629 -15.334 5.504 1.00 0.00 C ATOM 646 CG2 ILE C 493 -20.885 -17.800 5.312 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.441 -15.273 6.433 1.00 0.00 C ATOM 0 H ILE C 493 -23.018 -14.557 6.204 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.755 -16.216 3.994 1.00 0.00 H new ATOM 0 HB ILE C 493 -21.728 -16.576 6.846 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.273 -15.388 4.475 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.200 -14.410 5.596 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -19.928 -17.920 5.819 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.530 -18.645 5.551 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.722 -17.760 4.235 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.828 -14.407 6.184 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -19.788 -15.188 7.463 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -18.847 -16.181 6.325 1.00 0.00 H new ATOM 659 N LEU C 494 -24.270 -17.595 6.597 1.00 0.00 N ATOM 660 CA LEU C 494 -25.102 -18.699 7.065 1.00 0.00 C ATOM 661 C LEU C 494 -26.383 -18.847 6.242 1.00 0.00 C ATOM 662 O LEU C 494 -26.793 -19.962 5.916 1.00 0.00 O ATOM 663 CB LEU C 494 -25.426 -18.500 8.544 1.00 0.00 C ATOM 664 CG LEU C 494 -24.233 -18.652 9.488 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.557 -18.100 10.860 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.820 -20.113 9.588 1.00 0.00 C ATOM 0 H LEU C 494 -24.097 -16.882 7.305 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.540 -19.624 6.936 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -25.853 -17.506 8.677 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.194 -19.218 8.833 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.400 -18.080 9.079 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.693 -18.220 11.514 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.806 -17.042 10.777 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.406 -18.641 11.278 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -22.970 -20.205 10.264 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.654 -20.701 9.972 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.541 -20.481 8.601 1.00 0.00 H new ATOM 678 N GLU C 495 -27.000 -17.727 5.896 1.00 0.00 N ATOM 679 CA GLU C 495 -28.221 -17.740 5.095 1.00 0.00 C ATOM 680 C GLU C 495 -27.934 -18.128 3.648 1.00 0.00 C ATOM 681 O GLU C 495 -28.831 -18.559 2.917 1.00 0.00 O ATOM 682 CB GLU C 495 -28.903 -16.377 5.133 1.00 0.00 C ATOM 683 CG GLU C 495 -29.548 -16.047 6.464 1.00 0.00 C ATOM 684 CD GLU C 495 -30.639 -17.023 6.840 1.00 0.00 C ATOM 685 OE1 GLU C 495 -31.422 -17.418 5.952 1.00 0.00 O ATOM 686 OE2 GLU C 495 -30.731 -17.385 8.031 1.00 0.00 O ATOM 0 H GLU C 495 -26.677 -16.795 6.156 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.886 -18.488 5.527 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.168 -15.608 4.897 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.664 -16.341 4.353 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.785 -16.044 7.242 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -29.965 -15.041 6.422 1.00 0.00 H new ATOM 693 N GLY C 496 -26.686 -17.980 3.246 1.00 0.00 N ATOM 694 CA GLY C 496 -26.308 -18.288 1.888 1.00 0.00 C ATOM 695 C GLY C 496 -26.241 -17.049 1.032 1.00 0.00 C ATOM 696 O GLY C 496 -26.337 -17.121 -0.194 1.00 0.00 O ATOM 0 H GLY C 496 -25.924 -17.650 3.839 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.338 -18.785 1.884 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.026 -18.987 1.460 1.00 0.00 H new ATOM 700 N ARG C 497 -26.092 -15.906 1.680 1.00 0.00 N ATOM 701 CA ARG C 497 -25.984 -14.632 0.988 1.00 0.00 C ATOM 702 C ARG C 497 -24.660 -14.561 0.259 1.00 0.00 C ATOM 703 O ARG C 497 -24.573 -14.064 -0.864 1.00 0.00 O ATOM 704 CB ARG C 497 -26.082 -13.482 1.991 1.00 0.00 C ATOM 705 CG ARG C 497 -26.059 -12.103 1.362 1.00 0.00 C ATOM 706 CD ARG C 497 -27.254 -11.891 0.456 1.00 0.00 C ATOM 707 NE ARG C 497 -28.519 -12.057 1.171 1.00 0.00 N ATOM 708 CZ ARG C 497 -29.723 -11.955 0.608 1.00 0.00 C ATOM 709 NH1 ARG C 497 -29.838 -11.668 -0.682 1.00 0.00 N ATOM 710 NH2 ARG C 497 -30.813 -12.145 1.342 1.00 0.00 N ATOM 0 H ARG C 497 -26.043 -15.834 2.696 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.799 -14.547 0.269 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -27.003 -13.592 2.564 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -25.256 -13.560 2.698 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -26.054 -11.344 2.144 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -25.140 -11.977 0.790 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -27.210 -10.891 0.025 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.211 -12.597 -0.373 1.00 0.00 H new ATOM 0 HE ARG C 497 -28.477 -12.265 2.169 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -29.002 -11.524 -1.249 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -30.762 -11.591 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -30.728 -12.368 2.334 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -31.736 -12.068 0.914 1.00 0.00 H new ATOM 724 N ILE C 498 -23.637 -15.070 0.906 1.00 0.00 N ATOM 725 CA ILE C 498 -22.314 -15.099 0.340 1.00 0.00 C ATOM 726 C ILE C 498 -22.023 -16.493 -0.168 1.00 0.00 C ATOM 727 O ILE C 498 -22.044 -17.461 0.597 1.00 0.00 O ATOM 728 CB ILE C 498 -21.243 -14.678 1.373 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.567 -13.287 1.924 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.856 -14.693 0.741 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.627 -12.815 3.009 1.00 0.00 C ATOM 0 H ILE C 498 -23.702 -15.475 1.840 1.00 0.00 H new ATOM 0 HA ILE C 498 -22.275 -14.385 -0.483 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.250 -15.392 2.197 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -21.546 -12.570 1.104 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.584 -13.292 2.317 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -19.115 -14.394 1.482 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.629 -15.698 0.386 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.831 -13.997 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.927 -11.822 3.344 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.664 -13.508 3.850 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.611 -12.774 2.617 1.00 0.00 H new