USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 487 GLN : amide:sc= -1.81 X(o=-1.8,f=-2.2!) USER MOD Set 1.2: A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 151:sc= -0.121 (180deg=-1.21) USER MOD Single : A 503 HIS : no HD1:sc= -1.69 X(o=-1.7,f=-1.8) USER MOD Single : A 510 ASN : amide:sc= -0.0296 X(o=-0.03,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot -58:sc= 0.662 USER MOD Single : A 521 ASN :FLIP amide:sc=-0.00574 F(o=-1.3,f=-0.0057) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HE2:sc= -0.704 K(o=-0.7,f=-2) USER MOD Single : A 529 SER OG : rot -87:sc= -0.0413 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.944 K(o=-0.94,f=-2.1) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= -0.0372 USER MOD Single : A 552 ASN :FLIP amide:sc= -1.22 F(o=-4.5!,f=-1.2) USER MOD Single : A 553 LYS NZ :NH3+ 166:sc= -0.0294 (180deg=-0.137) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.012) USER MOD Single : A 557 MET CE :methyl 151:sc= -0.194 (180deg=-2.26) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 564 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 -0.213 -0.009 -1.969 1.00 52.23 N ATOM 2 CA MET A 480 1.169 0.337 -2.278 1.00 44.30 C ATOM 3 C MET A 480 2.016 -0.918 -2.460 1.00 64.23 C ATOM 4 O MET A 480 3.217 -0.913 -2.189 1.00 33.10 O ATOM 5 CB MET A 480 1.760 1.208 -1.167 1.00 51.13 C ATOM 6 CG MET A 480 2.074 0.439 0.106 1.00 43.04 C ATOM 7 SD MET A 480 2.178 1.507 1.555 1.00 62.04 S ATOM 8 CE MET A 480 3.791 2.248 1.314 1.00 21.22 C ATOM 0 HA MET A 480 1.176 0.898 -3.213 1.00 44.30 H new ATOM 0 HB2 MET A 480 2.673 1.678 -1.532 1.00 51.13 H new ATOM 0 HB3 MET A 480 1.060 2.010 -0.934 1.00 51.13 H new ATOM 0 HG2 MET A 480 1.304 -0.315 0.270 1.00 43.04 H new ATOM 0 HG3 MET A 480 3.018 -0.091 -0.018 1.00 43.04 H new ATOM 0 HE1 MET A 480 4.001 2.937 2.132 1.00 21.22 H new ATOM 0 HE2 MET A 480 4.551 1.467 1.293 1.00 21.22 H new ATOM 0 HE3 MET A 480 3.804 2.792 0.370 1.00 21.22 H new ATOM 18 N ALA A 481 1.383 -1.992 -2.921 1.00 22.10 N ATOM 19 CA ALA A 481 2.079 -3.254 -3.141 1.00 4.32 C ATOM 20 C ALA A 481 2.739 -3.284 -4.515 1.00 64.31 C ATOM 21 O ALA A 481 2.793 -2.270 -5.211 1.00 73.44 O ATOM 22 CB ALA A 481 1.116 -4.421 -2.990 1.00 32.53 C ATOM 0 H ALA A 481 0.389 -2.013 -3.149 1.00 22.10 H new ATOM 0 HA ALA A 481 2.862 -3.345 -2.389 1.00 4.32 H new ATOM 0 HB1 ALA A 481 1.649 -5.357 -3.157 1.00 32.53 H new ATOM 0 HB2 ALA A 481 0.695 -4.418 -1.985 1.00 32.53 H new ATOM 0 HB3 ALA A 481 0.312 -4.326 -3.720 1.00 32.53 H new ATOM 28 N ASP A 482 3.241 -4.453 -4.899 1.00 43.21 N ATOM 29 CA ASP A 482 3.898 -4.615 -6.191 1.00 71.31 C ATOM 30 C ASP A 482 2.902 -5.072 -7.253 1.00 25.41 C ATOM 31 O ASP A 482 3.092 -4.825 -8.444 1.00 12.11 O ATOM 32 CB ASP A 482 5.044 -5.622 -6.082 1.00 30.24 C ATOM 33 CG ASP A 482 6.232 -5.244 -6.945 1.00 14.24 C ATOM 34 OD1 ASP A 482 6.069 -5.178 -8.181 1.00 11.42 O ATOM 35 OD2 ASP A 482 7.324 -5.015 -6.384 1.00 11.30 O ATOM 0 H ASP A 482 3.205 -5.302 -4.334 1.00 43.21 H new ATOM 0 HA ASP A 482 4.302 -3.648 -6.489 1.00 71.31 H new ATOM 0 HB2 ASP A 482 5.363 -5.694 -5.042 1.00 30.24 H new ATOM 0 HB3 ASP A 482 4.686 -6.609 -6.375 1.00 30.24 H new ATOM 40 N VAL A 483 1.842 -5.742 -6.813 1.00 73.01 N ATOM 41 CA VAL A 483 0.816 -6.234 -7.725 1.00 62.03 C ATOM 42 C VAL A 483 -0.564 -6.181 -7.080 1.00 72.32 C ATOM 43 O VAL A 483 -1.545 -5.802 -7.718 1.00 72.15 O ATOM 44 CB VAL A 483 1.108 -7.679 -8.171 1.00 33.44 C ATOM 45 CG1 VAL A 483 1.311 -8.580 -6.962 1.00 4.01 C ATOM 46 CG2 VAL A 483 -0.017 -8.202 -9.052 1.00 23.02 C ATOM 0 H VAL A 483 1.671 -5.957 -5.831 1.00 73.01 H new ATOM 0 HA VAL A 483 0.830 -5.582 -8.599 1.00 62.03 H new ATOM 0 HB VAL A 483 2.028 -7.682 -8.755 1.00 33.44 H new ATOM 0 HG11 VAL A 483 1.516 -9.597 -7.296 1.00 4.01 H new ATOM 0 HG12 VAL A 483 2.153 -8.215 -6.373 1.00 4.01 H new ATOM 0 HG13 VAL A 483 0.410 -8.575 -6.349 1.00 4.01 H new ATOM 0 HG21 VAL A 483 0.206 -9.224 -9.358 1.00 23.02 H new ATOM 0 HG22 VAL A 483 -0.953 -8.186 -8.494 1.00 23.02 H new ATOM 0 HG23 VAL A 483 -0.110 -7.571 -9.936 1.00 23.02 H new ATOM 56 N GLY A 484 -0.632 -6.564 -5.809 1.00 35.42 N ATOM 57 CA GLY A 484 -1.897 -6.553 -5.097 1.00 74.15 C ATOM 58 C GLY A 484 -2.260 -7.914 -4.537 1.00 25.01 C ATOM 59 O GLY A 484 -3.435 -8.273 -4.471 1.00 14.34 O ATOM 0 H GLY A 484 0.166 -6.882 -5.259 1.00 35.42 H new ATOM 0 HA2 GLY A 484 -1.845 -5.831 -4.282 1.00 74.15 H new ATOM 0 HA3 GLY A 484 -2.686 -6.218 -5.770 1.00 74.15 H new ATOM 63 N ASP A 485 -1.248 -8.674 -4.134 1.00 65.40 N ATOM 64 CA ASP A 485 -1.465 -10.004 -3.577 1.00 20.42 C ATOM 65 C ASP A 485 -2.293 -9.929 -2.298 1.00 75.11 C ATOM 66 O ASP A 485 -1.756 -9.724 -1.210 1.00 53.52 O ATOM 67 CB ASP A 485 -0.126 -10.687 -3.292 1.00 40.42 C ATOM 68 CG ASP A 485 -0.175 -12.182 -3.537 1.00 24.03 C ATOM 69 OD1 ASP A 485 -0.855 -12.888 -2.763 1.00 25.42 O ATOM 70 OD2 ASP A 485 0.466 -12.646 -4.503 1.00 25.05 O ATOM 0 H ASP A 485 -0.269 -8.392 -4.183 1.00 65.40 H new ATOM 0 HA ASP A 485 -2.015 -10.592 -4.311 1.00 20.42 H new ATOM 0 HB2 ASP A 485 0.646 -10.244 -3.921 1.00 40.42 H new ATOM 0 HB3 ASP A 485 0.161 -10.501 -2.257 1.00 40.42 H new ATOM 75 N MET A 486 -3.605 -10.096 -2.438 1.00 4.21 N ATOM 76 CA MET A 486 -4.507 -10.047 -1.293 1.00 51.45 C ATOM 77 C MET A 486 -5.317 -11.334 -1.184 1.00 73.44 C ATOM 78 O MET A 486 -6.066 -11.685 -2.096 1.00 31.42 O ATOM 79 CB MET A 486 -5.449 -8.846 -1.410 1.00 65.44 C ATOM 80 CG MET A 486 -5.507 -7.995 -0.153 1.00 3.14 C ATOM 81 SD MET A 486 -5.445 -6.228 -0.506 1.00 51.15 S ATOM 82 CE MET A 486 -6.632 -6.109 -1.843 1.00 1.34 C ATOM 0 H MET A 486 -4.066 -10.266 -3.332 1.00 4.21 H new ATOM 0 HA MET A 486 -3.904 -9.941 -0.391 1.00 51.45 H new ATOM 0 HB2 MET A 486 -5.129 -8.224 -2.246 1.00 65.44 H new ATOM 0 HB3 MET A 486 -6.452 -9.203 -1.644 1.00 65.44 H new ATOM 0 HG2 MET A 486 -6.424 -8.221 0.392 1.00 3.14 H new ATOM 0 HG3 MET A 486 -4.675 -8.260 0.499 1.00 3.14 H new ATOM 0 HE1 MET A 486 -7.092 -5.121 -1.835 1.00 1.34 H new ATOM 0 HE2 MET A 486 -6.125 -6.265 -2.795 1.00 1.34 H new ATOM 0 HE3 MET A 486 -7.403 -6.869 -1.714 1.00 1.34 H new ATOM 92 N GLN A 487 -5.162 -12.033 -0.065 1.00 25.33 N ATOM 93 CA GLN A 487 -5.879 -13.283 0.161 1.00 4.34 C ATOM 94 C GLN A 487 -6.142 -13.498 1.648 1.00 2.22 C ATOM 95 O GLN A 487 -5.673 -12.731 2.490 1.00 42.51 O ATOM 96 CB GLN A 487 -5.084 -14.461 -0.404 1.00 5.03 C ATOM 97 CG GLN A 487 -4.506 -14.198 -1.785 1.00 25.41 C ATOM 98 CD GLN A 487 -3.650 -15.345 -2.287 1.00 51.22 C ATOM 99 OE1 GLN A 487 -2.819 -15.882 -1.554 1.00 74.21 O ATOM 100 NE2 GLN A 487 -3.849 -15.726 -3.543 1.00 71.05 N ATOM 0 H GLN A 487 -4.547 -11.756 0.700 1.00 25.33 H new ATOM 0 HA GLN A 487 -6.838 -13.221 -0.354 1.00 4.34 H new ATOM 0 HB2 GLN A 487 -4.271 -14.702 0.281 1.00 5.03 H new ATOM 0 HB3 GLN A 487 -5.732 -15.337 -0.451 1.00 5.03 H new ATOM 0 HG2 GLN A 487 -5.320 -14.022 -2.488 1.00 25.41 H new ATOM 0 HG3 GLN A 487 -3.907 -13.288 -1.757 1.00 25.41 H new ATOM 0 HE21 GLN A 487 -4.549 -15.253 -4.115 1.00 71.05 H new ATOM 0 HE22 GLN A 487 -3.302 -16.492 -3.936 1.00 71.05 H new ATOM 109 N LEU A 488 -6.895 -14.545 1.965 1.00 64.51 N ATOM 110 CA LEU A 488 -7.221 -14.862 3.351 1.00 0.01 C ATOM 111 C LEU A 488 -6.452 -16.091 3.825 1.00 45.13 C ATOM 112 O LEU A 488 -6.739 -17.214 3.409 1.00 5.23 O ATOM 113 CB LEU A 488 -8.725 -15.099 3.500 1.00 2.03 C ATOM 114 CG LEU A 488 -9.270 -15.073 4.929 1.00 61.13 C ATOM 115 CD1 LEU A 488 -9.192 -13.668 5.504 1.00 11.44 C ATOM 116 CD2 LEU A 488 -10.702 -15.587 4.962 1.00 1.35 C ATOM 0 H LEU A 488 -7.292 -15.189 1.281 1.00 64.51 H new ATOM 0 HA LEU A 488 -6.929 -14.013 3.970 1.00 0.01 H new ATOM 0 HB2 LEU A 488 -9.251 -14.342 2.918 1.00 2.03 H new ATOM 0 HB3 LEU A 488 -8.966 -16.066 3.058 1.00 2.03 H new ATOM 0 HG LEU A 488 -8.655 -15.729 5.545 1.00 61.13 H new ATOM 0 HD11 LEU A 488 -9.584 -13.669 6.521 1.00 11.44 H new ATOM 0 HD12 LEU A 488 -8.154 -13.337 5.516 1.00 11.44 H new ATOM 0 HD13 LEU A 488 -9.782 -12.990 4.888 1.00 11.44 H new ATOM 0 HD21 LEU A 488 -11.074 -15.562 5.986 1.00 1.35 H new ATOM 0 HD22 LEU A 488 -11.330 -14.956 4.332 1.00 1.35 H new ATOM 0 HD23 LEU A 488 -10.729 -16.612 4.591 1.00 1.35 H new ATOM 128 N TYR A 489 -5.475 -15.871 4.698 1.00 42.44 N ATOM 129 CA TYR A 489 -4.664 -16.960 5.228 1.00 44.10 C ATOM 130 C TYR A 489 -5.035 -17.260 6.677 1.00 5.42 C ATOM 131 O TYR A 489 -4.843 -16.427 7.564 1.00 64.14 O ATOM 132 CB TYR A 489 -3.178 -16.611 5.132 1.00 45.31 C ATOM 133 CG TYR A 489 -2.832 -15.759 3.931 1.00 30.03 C ATOM 134 CD1 TYR A 489 -2.815 -14.373 4.020 1.00 42.31 C ATOM 135 CD2 TYR A 489 -2.522 -16.341 2.708 1.00 22.24 C ATOM 136 CE1 TYR A 489 -2.500 -13.591 2.925 1.00 14.24 C ATOM 137 CE2 TYR A 489 -2.205 -15.567 1.609 1.00 63.22 C ATOM 138 CZ TYR A 489 -2.196 -14.193 1.722 1.00 1.42 C ATOM 139 OH TYR A 489 -1.881 -13.417 0.630 1.00 61.32 O ATOM 0 H TYR A 489 -5.226 -14.948 5.053 1.00 42.44 H new ATOM 0 HA TYR A 489 -4.861 -17.850 4.630 1.00 44.10 H new ATOM 0 HB2 TYR A 489 -2.878 -16.085 6.038 1.00 45.31 H new ATOM 0 HB3 TYR A 489 -2.599 -17.533 5.092 1.00 45.31 H new ATOM 0 HD1 TYR A 489 -3.052 -13.898 4.961 1.00 42.31 H new ATOM 0 HD2 TYR A 489 -2.529 -17.417 2.615 1.00 22.24 H new ATOM 0 HE1 TYR A 489 -2.492 -12.514 3.011 1.00 14.24 H new ATOM 0 HE2 TYR A 489 -1.965 -16.036 0.666 1.00 63.22 H new ATOM 0 HH TYR A 489 -1.691 -13.995 -0.138 1.00 61.32 H new ATOM 149 N ARG A 490 -5.566 -18.455 6.910 1.00 74.11 N ATOM 150 CA ARG A 490 -5.965 -18.866 8.251 1.00 72.14 C ATOM 151 C ARG A 490 -4.919 -19.787 8.871 1.00 65.12 C ATOM 152 O ARG A 490 -4.467 -20.744 8.240 1.00 54.51 O ATOM 153 CB ARG A 490 -7.321 -19.573 8.208 1.00 32.02 C ATOM 154 CG ARG A 490 -7.276 -20.938 7.541 1.00 22.13 C ATOM 155 CD ARG A 490 -7.306 -22.060 8.567 1.00 63.42 C ATOM 156 NE ARG A 490 -8.063 -23.215 8.092 1.00 32.43 N ATOM 157 CZ ARG A 490 -9.389 -23.241 8.008 1.00 3.21 C ATOM 158 NH1 ARG A 490 -10.099 -22.180 8.364 1.00 13.42 N ATOM 159 NH2 ARG A 490 -10.006 -24.329 7.566 1.00 21.13 N ATOM 0 H ARG A 490 -5.730 -19.156 6.188 1.00 74.11 H new ATOM 0 HA ARG A 490 -6.048 -17.972 8.868 1.00 72.14 H new ATOM 0 HB2 ARG A 490 -7.694 -19.688 9.226 1.00 32.02 H new ATOM 0 HB3 ARG A 490 -8.033 -18.942 7.677 1.00 32.02 H new ATOM 0 HG2 ARG A 490 -8.123 -21.041 6.863 1.00 22.13 H new ATOM 0 HG3 ARG A 490 -6.372 -21.020 6.937 1.00 22.13 H new ATOM 0 HD2 ARG A 490 -6.286 -22.366 8.800 1.00 63.42 H new ATOM 0 HD3 ARG A 490 -7.748 -21.693 9.493 1.00 63.42 H new ATOM 0 HE ARG A 490 -7.546 -24.047 7.809 1.00 32.43 H new ATOM 0 HH11 ARG A 490 -9.628 -21.341 8.703 1.00 13.42 H new ATOM 0 HH12 ARG A 490 -11.117 -22.202 8.299 1.00 13.42 H new ATOM 0 HH21 ARG A 490 -9.463 -25.147 7.290 1.00 21.13 H new ATOM 0 HH22 ARG A 490 -11.024 -24.348 7.502 1.00 21.13 H new ATOM 173 N ILE A 491 -4.537 -19.492 10.109 1.00 50.53 N ATOM 174 CA ILE A 491 -3.544 -20.293 10.814 1.00 74.14 C ATOM 175 C ILE A 491 -4.206 -21.217 11.831 1.00 5.52 C ATOM 176 O ILE A 491 -5.374 -21.042 12.174 1.00 11.15 O ATOM 177 CB ILE A 491 -2.514 -19.405 11.536 1.00 62.50 C ATOM 178 CG1 ILE A 491 -3.183 -18.632 12.674 1.00 31.32 C ATOM 179 CG2 ILE A 491 -1.857 -18.448 10.552 1.00 34.25 C ATOM 180 CD1 ILE A 491 -2.216 -17.808 13.495 1.00 32.11 C ATOM 0 H ILE A 491 -4.900 -18.704 10.645 1.00 50.53 H new ATOM 0 HA ILE A 491 -3.030 -20.893 10.063 1.00 74.14 H new ATOM 0 HB ILE A 491 -1.741 -20.044 11.962 1.00 62.50 H new ATOM 0 HG12 ILE A 491 -3.945 -17.974 12.257 1.00 31.32 H new ATOM 0 HG13 ILE A 491 -3.695 -19.337 13.329 1.00 31.32 H new ATOM 0 HG21 ILE A 491 -1.132 -17.827 11.078 1.00 34.25 H new ATOM 0 HG22 ILE A 491 -1.350 -19.018 9.773 1.00 34.25 H new ATOM 0 HG23 ILE A 491 -2.618 -17.812 10.099 1.00 34.25 H new ATOM 0 HD11 ILE A 491 -2.760 -17.287 14.283 1.00 32.11 H new ATOM 0 HD12 ILE A 491 -1.468 -18.463 13.942 1.00 32.11 H new ATOM 0 HD13 ILE A 491 -1.722 -17.079 12.852 1.00 32.11 H new ATOM 192 N GLU A 492 -3.448 -22.198 12.311 1.00 33.30 N ATOM 193 CA GLU A 492 -3.961 -23.149 13.291 1.00 54.42 C ATOM 194 C GLU A 492 -3.636 -22.695 14.711 1.00 41.00 C ATOM 195 O GLU A 492 -3.112 -23.465 15.516 1.00 42.01 O ATOM 196 CB GLU A 492 -3.375 -24.539 13.041 1.00 63.51 C ATOM 197 CG GLU A 492 -4.170 -25.661 13.689 1.00 44.34 C ATOM 198 CD GLU A 492 -3.306 -26.853 14.052 1.00 74.43 C ATOM 199 OE1 GLU A 492 -2.527 -26.748 15.022 1.00 12.50 O ATOM 200 OE2 GLU A 492 -3.410 -27.892 13.366 1.00 3.12 O ATOM 0 H GLU A 492 -2.478 -22.355 12.038 1.00 33.30 H new ATOM 0 HA GLU A 492 -5.045 -23.195 13.182 1.00 54.42 H new ATOM 0 HB2 GLU A 492 -3.324 -24.715 11.966 1.00 63.51 H new ATOM 0 HB3 GLU A 492 -2.352 -24.566 13.417 1.00 63.51 H new ATOM 0 HG2 GLU A 492 -4.658 -25.284 14.588 1.00 44.34 H new ATOM 0 HG3 GLU A 492 -4.959 -25.982 13.009 1.00 44.34 H new ATOM 207 N VAL A 493 -3.950 -21.439 15.011 1.00 0.33 N ATOM 208 CA VAL A 493 -3.692 -20.881 16.334 1.00 60.44 C ATOM 209 C VAL A 493 -4.801 -19.922 16.752 1.00 62.14 C ATOM 210 O VAL A 493 -5.306 -19.148 15.939 1.00 23.52 O ATOM 211 CB VAL A 493 -2.343 -20.139 16.377 1.00 60.35 C ATOM 212 CG1 VAL A 493 -1.914 -19.893 17.815 1.00 32.30 C ATOM 213 CG2 VAL A 493 -1.280 -20.923 15.621 1.00 11.22 C ATOM 0 H VAL A 493 -4.383 -20.788 14.356 1.00 0.33 H new ATOM 0 HA VAL A 493 -3.659 -21.719 17.030 1.00 60.44 H new ATOM 0 HB VAL A 493 -2.464 -19.172 15.889 1.00 60.35 H new ATOM 0 HG11 VAL A 493 -0.959 -19.368 17.825 1.00 32.30 H new ATOM 0 HG12 VAL A 493 -2.666 -19.288 18.321 1.00 32.30 H new ATOM 0 HG13 VAL A 493 -1.809 -20.847 18.332 1.00 32.30 H new ATOM 0 HG21 VAL A 493 -0.333 -20.384 15.661 1.00 11.22 H new ATOM 0 HG22 VAL A 493 -1.159 -21.905 16.078 1.00 11.22 H new ATOM 0 HG23 VAL A 493 -1.586 -21.042 14.582 1.00 11.22 H new ATOM 223 N GLY A 494 -5.175 -19.978 18.026 1.00 33.22 N ATOM 224 CA GLY A 494 -6.222 -19.109 18.531 1.00 51.12 C ATOM 225 C GLY A 494 -6.036 -18.767 19.996 1.00 43.23 C ATOM 226 O GLY A 494 -4.995 -19.064 20.582 1.00 62.31 O ATOM 0 H GLY A 494 -4.772 -20.610 18.718 1.00 33.22 H new ATOM 0 HA2 GLY A 494 -6.240 -18.189 17.946 1.00 51.12 H new ATOM 0 HA3 GLY A 494 -7.189 -19.593 18.394 1.00 51.12 H new ATOM 230 N ARG A 495 -7.046 -18.139 20.588 1.00 1.51 N ATOM 231 CA ARG A 495 -6.987 -17.753 21.993 1.00 52.11 C ATOM 232 C ARG A 495 -6.674 -18.958 22.875 1.00 44.11 C ATOM 233 O ARG A 495 -5.914 -18.854 23.838 1.00 44.11 O ATOM 234 CB ARG A 495 -8.311 -17.121 22.426 1.00 35.21 C ATOM 235 CG ARG A 495 -9.531 -17.947 22.051 1.00 14.24 C ATOM 236 CD ARG A 495 -10.816 -17.296 22.540 1.00 50.13 C ATOM 237 NE ARG A 495 -12.000 -18.050 22.137 1.00 64.55 N ATOM 238 CZ ARG A 495 -13.237 -17.574 22.215 1.00 50.22 C ATOM 239 NH1 ARG A 495 -13.452 -16.350 22.678 1.00 25.23 N ATOM 240 NH2 ARG A 495 -14.263 -18.321 21.828 1.00 20.33 N ATOM 0 H ARG A 495 -7.915 -17.887 20.117 1.00 1.51 H new ATOM 0 HA ARG A 495 -6.187 -17.021 22.110 1.00 52.11 H new ATOM 0 HB2 ARG A 495 -8.299 -16.976 23.506 1.00 35.21 H new ATOM 0 HB3 ARG A 495 -8.398 -16.133 21.973 1.00 35.21 H new ATOM 0 HG2 ARG A 495 -9.572 -18.067 20.968 1.00 14.24 H new ATOM 0 HG3 ARG A 495 -9.442 -18.945 22.479 1.00 14.24 H new ATOM 0 HD2 ARG A 495 -10.790 -17.215 23.627 1.00 50.13 H new ATOM 0 HD3 ARG A 495 -10.881 -16.282 22.146 1.00 50.13 H new ATOM 0 HE ARG A 495 -11.869 -18.995 21.776 1.00 64.55 H new ATOM 0 HH11 ARG A 495 -12.666 -15.772 22.975 1.00 25.23 H new ATOM 0 HH12 ARG A 495 -14.403 -15.987 22.737 1.00 25.23 H new ATOM 0 HH21 ARG A 495 -14.102 -19.262 21.470 1.00 20.33 H new ATOM 0 HH22 ARG A 495 -15.213 -17.954 21.889 1.00 20.33 H new ATOM 254 N ASP A 496 -7.264 -20.100 22.539 1.00 11.44 N ATOM 255 CA ASP A 496 -7.048 -21.325 23.300 1.00 4.31 C ATOM 256 C ASP A 496 -5.612 -21.817 23.141 1.00 14.31 C ATOM 257 O ASP A 496 -5.138 -22.641 23.923 1.00 41.11 O ATOM 258 CB ASP A 496 -8.025 -22.411 22.848 1.00 51.42 C ATOM 259 CG ASP A 496 -8.429 -23.334 23.980 1.00 32.03 C ATOM 260 OD1 ASP A 496 -7.897 -24.462 24.044 1.00 0.33 O ATOM 261 OD2 ASP A 496 -9.278 -22.929 24.802 1.00 32.32 O ATOM 0 H ASP A 496 -7.896 -20.203 21.745 1.00 11.44 H new ATOM 0 HA ASP A 496 -7.224 -21.105 24.353 1.00 4.31 H new ATOM 0 HB2 ASP A 496 -8.916 -21.943 22.429 1.00 51.42 H new ATOM 0 HB3 ASP A 496 -7.568 -22.997 22.051 1.00 51.42 H new ATOM 266 N ASP A 497 -4.927 -21.307 22.124 1.00 50.32 N ATOM 267 CA ASP A 497 -3.546 -21.694 21.862 1.00 43.02 C ATOM 268 C ASP A 497 -2.574 -20.699 22.489 1.00 51.24 C ATOM 269 O ASP A 497 -1.544 -21.084 23.039 1.00 20.55 O ATOM 270 CB ASP A 497 -3.297 -21.789 20.356 1.00 51.24 C ATOM 271 CG ASP A 497 -2.192 -22.768 20.012 1.00 43.32 C ATOM 272 OD1 ASP A 497 -1.022 -22.479 20.339 1.00 63.44 O ATOM 273 OD2 ASP A 497 -2.497 -23.822 19.415 1.00 5.20 O ATOM 0 H ASP A 497 -5.306 -20.624 21.467 1.00 50.32 H new ATOM 0 HA ASP A 497 -3.378 -22.672 22.313 1.00 43.02 H new ATOM 0 HB2 ASP A 497 -4.217 -22.094 19.857 1.00 51.24 H new ATOM 0 HB3 ASP A 497 -3.038 -20.803 19.971 1.00 51.24 H new ATOM 278 N GLY A 498 -2.910 -19.415 22.399 1.00 24.22 N ATOM 279 CA GLY A 498 -2.056 -18.385 22.961 1.00 50.44 C ATOM 280 C GLY A 498 -1.838 -17.228 22.005 1.00 35.03 C ATOM 281 O GLY A 498 -0.763 -16.629 21.978 1.00 32.25 O ATOM 0 H GLY A 498 -3.757 -19.071 21.947 1.00 24.22 H new ATOM 0 HA2 GLY A 498 -2.501 -18.012 23.883 1.00 50.44 H new ATOM 0 HA3 GLY A 498 -1.092 -18.820 23.226 1.00 50.44 H new ATOM 285 N VAL A 499 -2.861 -16.913 21.217 1.00 74.21 N ATOM 286 CA VAL A 499 -2.777 -15.821 20.255 1.00 51.03 C ATOM 287 C VAL A 499 -4.038 -14.965 20.283 1.00 13.13 C ATOM 288 O VAL A 499 -5.129 -15.459 20.566 1.00 71.44 O ATOM 289 CB VAL A 499 -2.560 -16.349 18.824 1.00 14.21 C ATOM 290 CG1 VAL A 499 -3.871 -16.847 18.234 1.00 21.24 C ATOM 291 CG2 VAL A 499 -1.947 -15.269 17.945 1.00 14.14 C ATOM 0 H VAL A 499 -3.758 -17.399 21.226 1.00 74.21 H new ATOM 0 HA VAL A 499 -1.921 -15.211 20.543 1.00 51.03 H new ATOM 0 HB VAL A 499 -1.866 -17.188 18.866 1.00 14.21 H new ATOM 0 HG11 VAL A 499 -3.698 -17.216 17.223 1.00 21.24 H new ATOM 0 HG12 VAL A 499 -4.265 -17.654 18.852 1.00 21.24 H new ATOM 0 HG13 VAL A 499 -4.590 -16.029 18.203 1.00 21.24 H new ATOM 0 HG21 VAL A 499 -1.801 -15.659 16.938 1.00 14.14 H new ATOM 0 HG22 VAL A 499 -2.615 -14.408 17.907 1.00 14.14 H new ATOM 0 HG23 VAL A 499 -0.986 -14.965 18.359 1.00 14.14 H new ATOM 301 N GLU A 500 -3.880 -13.678 19.988 1.00 35.34 N ATOM 302 CA GLU A 500 -5.008 -12.753 19.981 1.00 63.22 C ATOM 303 C GLU A 500 -5.090 -12.007 18.652 1.00 2.45 C ATOM 304 O GLU A 500 -4.351 -12.304 17.714 1.00 40.14 O ATOM 305 CB GLU A 500 -4.884 -11.754 21.133 1.00 21.11 C ATOM 306 CG GLU A 500 -4.424 -12.383 22.437 1.00 21.34 C ATOM 307 CD GLU A 500 -5.037 -11.718 23.654 1.00 34.22 C ATOM 308 OE1 GLU A 500 -5.602 -10.615 23.506 1.00 13.53 O ATOM 309 OE2 GLU A 500 -4.952 -12.302 24.755 1.00 74.41 O ATOM 0 H GLU A 500 -2.984 -13.253 19.751 1.00 35.34 H new ATOM 0 HA GLU A 500 -5.922 -13.333 20.110 1.00 63.22 H new ATOM 0 HB2 GLU A 500 -4.181 -10.971 20.849 1.00 21.11 H new ATOM 0 HB3 GLU A 500 -5.849 -11.274 21.292 1.00 21.11 H new ATOM 0 HG2 GLU A 500 -4.684 -13.442 22.437 1.00 21.34 H new ATOM 0 HG3 GLU A 500 -3.338 -12.321 22.502 1.00 21.34 H new ATOM 316 N VAL A 501 -5.995 -11.035 18.581 1.00 24.42 N ATOM 317 CA VAL A 501 -6.174 -10.245 17.369 1.00 31.31 C ATOM 318 C VAL A 501 -5.058 -9.218 17.212 1.00 34.23 C ATOM 319 O VAL A 501 -4.672 -8.872 16.096 1.00 64.41 O ATOM 320 CB VAL A 501 -7.531 -9.517 17.370 1.00 52.32 C ATOM 321 CG1 VAL A 501 -7.673 -8.650 16.128 1.00 71.54 C ATOM 322 CG2 VAL A 501 -8.673 -10.518 17.465 1.00 3.31 C ATOM 0 H VAL A 501 -6.615 -10.776 19.349 1.00 24.42 H new ATOM 0 HA VAL A 501 -6.144 -10.940 16.530 1.00 31.31 H new ATOM 0 HB VAL A 501 -7.574 -8.867 18.244 1.00 52.32 H new ATOM 0 HG11 VAL A 501 -8.638 -8.143 16.146 1.00 71.54 H new ATOM 0 HG12 VAL A 501 -6.874 -7.909 16.109 1.00 71.54 H new ATOM 0 HG13 VAL A 501 -7.609 -9.276 15.238 1.00 71.54 H new ATOM 0 HG21 VAL A 501 -9.624 -9.986 17.464 1.00 3.31 H new ATOM 0 HG22 VAL A 501 -8.635 -11.195 16.612 1.00 3.31 H new ATOM 0 HG23 VAL A 501 -8.579 -11.091 18.387 1.00 3.31 H new ATOM 332 N ARG A 502 -4.545 -8.734 18.338 1.00 24.44 N ATOM 333 CA ARG A 502 -3.473 -7.746 18.326 1.00 11.24 C ATOM 334 C ARG A 502 -2.107 -8.425 18.294 1.00 31.01 C ATOM 335 O ARG A 502 -1.072 -7.760 18.238 1.00 53.33 O ATOM 336 CB ARG A 502 -3.574 -6.838 19.553 1.00 12.24 C ATOM 337 CG ARG A 502 -3.631 -7.596 20.869 1.00 23.33 C ATOM 338 CD ARG A 502 -3.318 -6.689 22.049 1.00 24.30 C ATOM 339 NE ARG A 502 -4.432 -5.801 22.367 1.00 12.23 N ATOM 340 CZ ARG A 502 -4.561 -5.170 23.529 1.00 25.02 C ATOM 341 NH1 ARG A 502 -3.648 -5.329 24.478 1.00 51.00 N ATOM 342 NH2 ARG A 502 -5.603 -4.378 23.744 1.00 52.21 N ATOM 0 H ARG A 502 -4.854 -9.010 19.270 1.00 24.44 H new ATOM 0 HA ARG A 502 -3.580 -7.142 17.425 1.00 11.24 H new ATOM 0 HB2 ARG A 502 -2.717 -6.165 19.568 1.00 12.24 H new ATOM 0 HB3 ARG A 502 -4.465 -6.217 19.462 1.00 12.24 H new ATOM 0 HG2 ARG A 502 -4.622 -8.032 20.996 1.00 23.33 H new ATOM 0 HG3 ARG A 502 -2.920 -8.422 20.845 1.00 23.33 H new ATOM 0 HD2 ARG A 502 -3.080 -7.298 22.921 1.00 24.30 H new ATOM 0 HD3 ARG A 502 -2.433 -6.094 21.824 1.00 24.30 H new ATOM 0 HE ARG A 502 -5.151 -5.657 21.658 1.00 12.23 H new ATOM 0 HH11 ARG A 502 -2.845 -5.937 24.316 1.00 51.00 H new ATOM 0 HH12 ARG A 502 -3.749 -4.844 25.369 1.00 51.00 H new ATOM 0 HH21 ARG A 502 -6.307 -4.253 23.017 1.00 52.21 H new ATOM 0 HH22 ARG A 502 -5.700 -3.894 24.637 1.00 52.21 H new ATOM 356 N HIS A 503 -2.112 -9.754 18.331 1.00 44.21 N ATOM 357 CA HIS A 503 -0.873 -10.523 18.306 1.00 62.51 C ATOM 358 C HIS A 503 -0.385 -10.722 16.874 1.00 51.42 C ATOM 359 O HIS A 503 0.734 -10.340 16.531 1.00 25.41 O ATOM 360 CB HIS A 503 -1.077 -11.881 18.980 1.00 51.33 C ATOM 361 CG HIS A 503 0.168 -12.434 19.601 1.00 61.40 C ATOM 362 ND1 HIS A 503 0.152 -13.338 20.642 1.00 32.32 N ATOM 363 CD2 HIS A 503 1.473 -12.209 19.321 1.00 50.20 C ATOM 364 CE1 HIS A 503 1.393 -13.643 20.977 1.00 72.30 C ATOM 365 NE2 HIS A 503 2.214 -12.972 20.190 1.00 52.50 N ATOM 0 H HIS A 503 -2.959 -10.320 18.378 1.00 44.21 H new ATOM 0 HA HIS A 503 -0.116 -9.963 18.855 1.00 62.51 H new ATOM 0 HB2 HIS A 503 -1.844 -11.785 19.748 1.00 51.33 H new ATOM 0 HB3 HIS A 503 -1.452 -12.591 18.243 1.00 51.33 H new ATOM 0 HD2 HIS A 503 1.860 -11.552 18.556 1.00 50.20 H new ATOM 0 HE1 HIS A 503 1.686 -14.325 21.761 1.00 72.30 H new ATOM 0 HE2 HIS A 503 3.233 -13.014 20.222 1.00 52.50 H new ATOM 373 N ILE A 504 -1.232 -11.320 16.043 1.00 21.21 N ATOM 374 CA ILE A 504 -0.887 -11.568 14.649 1.00 63.12 C ATOM 375 C ILE A 504 -0.835 -10.267 13.855 1.00 13.14 C ATOM 376 O ILE A 504 -0.144 -10.172 12.841 1.00 31.50 O ATOM 377 CB ILE A 504 -1.893 -12.524 13.981 1.00 1.11 C ATOM 378 CG1 ILE A 504 -3.181 -11.778 13.627 1.00 1.43 C ATOM 379 CG2 ILE A 504 -2.191 -13.702 14.896 1.00 34.30 C ATOM 380 CD1 ILE A 504 -4.010 -11.398 14.834 1.00 12.10 C ATOM 0 H ILE A 504 -2.162 -11.642 16.311 1.00 21.21 H new ATOM 0 HA ILE A 504 0.099 -12.032 14.646 1.00 63.12 H new ATOM 0 HB ILE A 504 -1.452 -12.906 13.060 1.00 1.11 H new ATOM 0 HG12 ILE A 504 -2.927 -10.875 13.072 1.00 1.43 H new ATOM 0 HG13 ILE A 504 -3.782 -12.401 12.965 1.00 1.43 H new ATOM 0 HG21 ILE A 504 -2.903 -14.369 14.410 1.00 34.30 H new ATOM 0 HG22 ILE A 504 -1.269 -14.245 15.103 1.00 34.30 H new ATOM 0 HG23 ILE A 504 -2.615 -13.338 15.832 1.00 34.30 H new ATOM 0 HD11 ILE A 504 -4.908 -10.873 14.508 1.00 12.10 H new ATOM 0 HD12 ILE A 504 -4.294 -12.299 15.378 1.00 12.10 H new ATOM 0 HD13 ILE A 504 -3.426 -10.749 15.487 1.00 12.10 H new ATOM 392 N VAL A 505 -1.570 -9.264 14.326 1.00 73.04 N ATOM 393 CA VAL A 505 -1.607 -7.966 13.662 1.00 24.21 C ATOM 394 C VAL A 505 -0.377 -7.135 14.013 1.00 74.35 C ATOM 395 O VAL A 505 0.373 -6.716 13.132 1.00 11.24 O ATOM 396 CB VAL A 505 -2.873 -7.176 14.043 1.00 24.24 C ATOM 397 CG1 VAL A 505 -2.776 -5.741 13.547 1.00 34.45 C ATOM 398 CG2 VAL A 505 -4.114 -7.859 13.488 1.00 5.22 C ATOM 0 H VAL A 505 -2.148 -9.325 15.164 1.00 73.04 H new ATOM 0 HA VAL A 505 -1.618 -8.159 12.589 1.00 24.21 H new ATOM 0 HB VAL A 505 -2.954 -7.154 15.130 1.00 24.24 H new ATOM 0 HG11 VAL A 505 -3.679 -5.198 13.825 1.00 34.45 H new ATOM 0 HG12 VAL A 505 -1.909 -5.258 13.998 1.00 34.45 H new ATOM 0 HG13 VAL A 505 -2.670 -5.737 12.462 1.00 34.45 H new ATOM 0 HG21 VAL A 505 -4.999 -7.287 13.767 1.00 5.22 H new ATOM 0 HG22 VAL A 505 -4.044 -7.913 12.402 1.00 5.22 H new ATOM 0 HG23 VAL A 505 -4.189 -8.866 13.898 1.00 5.22 H new ATOM 408 N GLY A 506 -0.177 -6.901 15.306 1.00 30.20 N ATOM 409 CA GLY A 506 0.963 -6.121 15.751 1.00 62.42 C ATOM 410 C GLY A 506 2.285 -6.753 15.362 1.00 30.42 C ATOM 411 O GLY A 506 3.313 -6.079 15.316 1.00 63.01 O ATOM 0 H GLY A 506 -0.784 -7.238 16.053 1.00 30.20 H new ATOM 0 HA2 GLY A 506 0.903 -5.120 15.325 1.00 62.42 H new ATOM 0 HA3 GLY A 506 0.922 -6.009 16.834 1.00 62.42 H new ATOM 415 N ALA A 507 2.259 -8.053 15.084 1.00 53.32 N ATOM 416 CA ALA A 507 3.464 -8.776 14.697 1.00 12.41 C ATOM 417 C ALA A 507 3.861 -8.452 13.261 1.00 43.10 C ATOM 418 O ALA A 507 4.953 -7.941 13.009 1.00 11.35 O ATOM 419 CB ALA A 507 3.257 -10.274 14.865 1.00 43.32 C ATOM 0 H ALA A 507 1.416 -8.627 15.120 1.00 53.32 H new ATOM 0 HA ALA A 507 4.276 -8.457 15.351 1.00 12.41 H new ATOM 0 HB1 ALA A 507 4.165 -10.802 14.572 1.00 43.32 H new ATOM 0 HB2 ALA A 507 3.029 -10.495 15.908 1.00 43.32 H new ATOM 0 HB3 ALA A 507 2.429 -10.600 14.235 1.00 43.32 H new ATOM 425 N ILE A 508 2.970 -8.753 12.323 1.00 34.31 N ATOM 426 CA ILE A 508 3.228 -8.494 10.912 1.00 2.43 C ATOM 427 C ILE A 508 3.272 -6.996 10.628 1.00 21.00 C ATOM 428 O ILE A 508 3.986 -6.545 9.733 1.00 12.50 O ATOM 429 CB ILE A 508 2.159 -9.144 10.015 1.00 52.11 C ATOM 430 CG1 ILE A 508 0.775 -8.576 10.340 1.00 65.44 C ATOM 431 CG2 ILE A 508 2.171 -10.655 10.187 1.00 71.50 C ATOM 432 CD1 ILE A 508 0.344 -7.467 9.407 1.00 54.51 C ATOM 0 H ILE A 508 2.062 -9.177 12.515 1.00 34.31 H new ATOM 0 HA ILE A 508 4.198 -8.934 10.683 1.00 2.43 H new ATOM 0 HB ILE A 508 2.390 -8.915 8.975 1.00 52.11 H new ATOM 0 HG12 ILE A 508 0.041 -9.381 10.298 1.00 65.44 H new ATOM 0 HG13 ILE A 508 0.777 -8.199 11.363 1.00 65.44 H new ATOM 0 HG21 ILE A 508 1.410 -11.100 9.546 1.00 71.50 H new ATOM 0 HG22 ILE A 508 3.151 -11.045 9.911 1.00 71.50 H new ATOM 0 HG23 ILE A 508 1.961 -10.904 11.227 1.00 71.50 H new ATOM 0 HD11 ILE A 508 -0.645 -7.112 9.696 1.00 54.51 H new ATOM 0 HD12 ILE A 508 1.056 -6.644 9.466 1.00 54.51 H new ATOM 0 HD13 ILE A 508 0.310 -7.844 8.385 1.00 54.51 H new ATOM 444 N ALA A 509 2.505 -6.231 11.397 1.00 1.45 N ATOM 445 CA ALA A 509 2.459 -4.783 11.231 1.00 22.22 C ATOM 446 C ALA A 509 3.745 -4.132 11.730 1.00 71.30 C ATOM 447 O ALA A 509 4.120 -3.051 11.279 1.00 73.05 O ATOM 448 CB ALA A 509 1.256 -4.206 11.961 1.00 35.03 C ATOM 0 H ALA A 509 1.907 -6.589 12.141 1.00 1.45 H new ATOM 0 HA ALA A 509 2.362 -4.567 10.167 1.00 22.22 H new ATOM 0 HB1 ALA A 509 1.234 -3.124 11.828 1.00 35.03 H new ATOM 0 HB2 ALA A 509 0.342 -4.640 11.555 1.00 35.03 H new ATOM 0 HB3 ALA A 509 1.328 -4.440 13.023 1.00 35.03 H new ATOM 454 N ASN A 510 4.416 -4.798 12.664 1.00 11.04 N ATOM 455 CA ASN A 510 5.660 -4.283 13.225 1.00 15.25 C ATOM 456 C ASN A 510 6.866 -4.846 12.481 1.00 5.31 C ATOM 457 O ASN A 510 7.937 -4.239 12.466 1.00 12.14 O ATOM 458 CB ASN A 510 5.755 -4.631 14.712 1.00 4.13 C ATOM 459 CG ASN A 510 6.913 -3.930 15.397 1.00 51.02 C ATOM 460 OD1 ASN A 510 7.797 -4.574 15.962 1.00 73.32 O ATOM 461 ND2 ASN A 510 6.912 -2.603 15.349 1.00 3.11 N ATOM 0 H ASN A 510 4.119 -5.695 13.048 1.00 11.04 H new ATOM 0 HA ASN A 510 5.660 -3.199 13.112 1.00 15.25 H new ATOM 0 HB2 ASN A 510 4.823 -4.356 15.207 1.00 4.13 H new ATOM 0 HB3 ASN A 510 5.869 -5.709 14.823 1.00 4.13 H new ATOM 0 HD21 ASN A 510 7.665 -2.076 15.792 1.00 3.11 H new ATOM 0 HD22 ASN A 510 6.158 -2.111 14.869 1.00 3.11 H new ATOM 468 N GLU A 511 6.685 -6.009 11.864 1.00 34.21 N ATOM 469 CA GLU A 511 7.759 -6.654 11.118 1.00 0.41 C ATOM 470 C GLU A 511 8.125 -5.841 9.879 1.00 12.24 C ATOM 471 O GLU A 511 9.300 -5.604 9.604 1.00 61.03 O ATOM 472 CB GLU A 511 7.348 -8.070 10.709 1.00 1.33 C ATOM 473 CG GLU A 511 7.574 -9.107 11.796 1.00 2.24 C ATOM 474 CD GLU A 511 9.043 -9.308 12.114 1.00 22.02 C ATOM 475 OE1 GLU A 511 9.683 -10.154 11.455 1.00 10.12 O ATOM 476 OE2 GLU A 511 9.553 -8.619 13.022 1.00 11.44 O ATOM 0 H GLU A 511 5.805 -6.524 11.866 1.00 34.21 H new ATOM 0 HA GLU A 511 8.633 -6.711 11.766 1.00 0.41 H new ATOM 0 HB2 GLU A 511 6.293 -8.068 10.434 1.00 1.33 H new ATOM 0 HB3 GLU A 511 7.909 -8.360 9.820 1.00 1.33 H new ATOM 0 HG2 GLU A 511 7.049 -8.800 12.701 1.00 2.24 H new ATOM 0 HG3 GLU A 511 7.141 -10.057 11.483 1.00 2.24 H new ATOM 483 N GLY A 512 7.108 -5.416 9.135 1.00 34.54 N ATOM 484 CA GLY A 512 7.342 -4.636 7.935 1.00 52.23 C ATOM 485 C GLY A 512 6.736 -3.249 8.018 1.00 53.14 C ATOM 486 O GLY A 512 6.775 -2.609 9.068 1.00 2.43 O ATOM 0 H GLY A 512 6.126 -5.598 9.343 1.00 34.54 H new ATOM 0 HA2 GLY A 512 8.415 -4.551 7.764 1.00 52.23 H new ATOM 0 HA3 GLY A 512 6.923 -5.161 7.077 1.00 52.23 H new ATOM 490 N ASP A 513 6.175 -2.783 6.907 1.00 0.11 N ATOM 491 CA ASP A 513 5.558 -1.462 6.858 1.00 25.20 C ATOM 492 C ASP A 513 4.054 -1.556 7.092 1.00 51.12 C ATOM 493 O ASP A 513 3.393 -0.551 7.354 1.00 0.43 O ATOM 494 CB ASP A 513 5.837 -0.796 5.510 1.00 42.40 C ATOM 495 CG ASP A 513 7.100 0.043 5.529 1.00 60.01 C ATOM 496 OD1 ASP A 513 7.147 1.060 4.807 1.00 51.52 O ATOM 497 OD2 ASP A 513 8.042 -0.319 6.265 1.00 11.32 O ATOM 0 H ASP A 513 6.135 -3.300 6.029 1.00 0.11 H new ATOM 0 HA ASP A 513 5.993 -0.855 7.652 1.00 25.20 H new ATOM 0 HB2 ASP A 513 5.925 -1.563 4.741 1.00 42.40 H new ATOM 0 HB3 ASP A 513 4.990 -0.166 5.237 1.00 42.40 H new ATOM 502 N ILE A 514 3.519 -2.768 6.994 1.00 64.45 N ATOM 503 CA ILE A 514 2.093 -2.993 7.194 1.00 2.43 C ATOM 504 C ILE A 514 1.618 -2.372 8.504 1.00 62.22 C ATOM 505 O ILE A 514 2.340 -2.373 9.501 1.00 62.02 O ATOM 506 CB ILE A 514 1.755 -4.495 7.198 1.00 14.04 C ATOM 507 CG1 ILE A 514 2.162 -5.136 5.870 1.00 4.41 C ATOM 508 CG2 ILE A 514 0.270 -4.703 7.459 1.00 2.43 C ATOM 509 CD1 ILE A 514 2.508 -6.604 5.988 1.00 15.41 C ATOM 0 H ILE A 514 4.052 -3.610 6.777 1.00 64.45 H new ATOM 0 HA ILE A 514 1.578 -2.516 6.360 1.00 2.43 H new ATOM 0 HB ILE A 514 2.316 -4.976 7.999 1.00 14.04 H new ATOM 0 HG12 ILE A 514 1.348 -5.019 5.155 1.00 4.41 H new ATOM 0 HG13 ILE A 514 3.021 -4.600 5.465 1.00 4.41 H new ATOM 0 HG21 ILE A 514 0.046 -5.770 7.459 1.00 2.43 H new ATOM 0 HG22 ILE A 514 0.008 -4.277 8.428 1.00 2.43 H new ATOM 0 HG23 ILE A 514 -0.309 -4.211 6.678 1.00 2.43 H new ATOM 0 HD11 ILE A 514 2.787 -6.992 5.008 1.00 15.41 H new ATOM 0 HD12 ILE A 514 3.343 -6.727 6.678 1.00 15.41 H new ATOM 0 HD13 ILE A 514 1.644 -7.153 6.363 1.00 15.41 H new ATOM 521 N SER A 515 0.398 -1.845 8.494 1.00 3.32 N ATOM 522 CA SER A 515 -0.173 -1.219 9.681 1.00 54.12 C ATOM 523 C SER A 515 -1.391 -1.996 10.171 1.00 15.32 C ATOM 524 O SER A 515 -1.899 -2.877 9.478 1.00 34.44 O ATOM 525 CB SER A 515 -0.565 0.229 9.381 1.00 3.41 C ATOM 526 OG SER A 515 -0.436 1.042 10.535 1.00 23.31 O ATOM 0 H SER A 515 -0.214 -1.839 7.678 1.00 3.32 H new ATOM 0 HA SER A 515 0.583 -1.228 10.466 1.00 54.12 H new ATOM 0 HB2 SER A 515 0.065 0.622 8.583 1.00 3.41 H new ATOM 0 HB3 SER A 515 -1.593 0.264 9.021 1.00 3.41 H new ATOM 0 HG SER A 515 -0.691 1.963 10.317 1.00 23.31 H new ATOM 532 N SER A 516 -1.855 -1.661 11.371 1.00 20.22 N ATOM 533 CA SER A 516 -3.011 -2.329 11.958 1.00 71.15 C ATOM 534 C SER A 516 -4.277 -2.018 11.165 1.00 35.45 C ATOM 535 O SER A 516 -5.253 -2.768 11.214 1.00 63.20 O ATOM 536 CB SER A 516 -3.189 -1.900 13.415 1.00 35.22 C ATOM 537 OG SER A 516 -4.435 -2.342 13.928 1.00 44.41 O ATOM 0 H SER A 516 -1.448 -0.931 11.956 1.00 20.22 H new ATOM 0 HA SER A 516 -2.836 -3.404 11.923 1.00 71.15 H new ATOM 0 HB2 SER A 516 -2.378 -2.307 14.019 1.00 35.22 H new ATOM 0 HB3 SER A 516 -3.126 -0.814 13.488 1.00 35.22 H new ATOM 0 HG SER A 516 -4.524 -2.057 14.861 1.00 44.41 H new ATOM 543 N ARG A 517 -4.254 -0.907 10.437 1.00 72.33 N ATOM 544 CA ARG A 517 -5.400 -0.495 9.635 1.00 71.52 C ATOM 545 C ARG A 517 -5.257 -0.977 8.194 1.00 24.20 C ATOM 546 O ARG A 517 -6.243 -1.322 7.543 1.00 51.01 O ATOM 547 CB ARG A 517 -5.548 1.027 9.662 1.00 32.14 C ATOM 548 CG ARG A 517 -4.283 1.769 9.266 1.00 44.31 C ATOM 549 CD ARG A 517 -4.538 3.260 9.107 1.00 3.05 C ATOM 550 NE ARG A 517 -3.295 4.019 8.996 1.00 51.11 N ATOM 551 CZ ARG A 517 -3.224 5.240 8.477 1.00 2.15 C ATOM 552 NH1 ARG A 517 -4.318 5.837 8.026 1.00 51.11 N ATOM 553 NH2 ARG A 517 -2.056 5.867 8.410 1.00 30.45 N ATOM 0 H ARG A 517 -3.454 -0.276 10.386 1.00 72.33 H new ATOM 0 HA ARG A 517 -6.293 -0.948 10.065 1.00 71.52 H new ATOM 0 HB2 ARG A 517 -6.355 1.317 8.989 1.00 32.14 H new ATOM 0 HB3 ARG A 517 -5.842 1.337 10.665 1.00 32.14 H new ATOM 0 HG2 ARG A 517 -3.514 1.609 10.022 1.00 44.31 H new ATOM 0 HG3 ARG A 517 -3.899 1.363 8.330 1.00 44.31 H new ATOM 0 HD2 ARG A 517 -5.148 3.431 8.220 1.00 3.05 H new ATOM 0 HD3 ARG A 517 -5.109 3.623 9.961 1.00 3.05 H new ATOM 0 HE ARG A 517 -2.435 3.588 9.335 1.00 51.11 H new ATOM 0 HH11 ARG A 517 -5.218 5.359 8.077 1.00 51.11 H new ATOM 0 HH12 ARG A 517 -4.260 6.774 7.628 1.00 51.11 H new ATOM 0 HH21 ARG A 517 -1.212 5.411 8.757 1.00 30.45 H new ATOM 0 HH22 ARG A 517 -2.002 6.804 8.011 1.00 30.45 H new ATOM 567 N TYR A 518 -4.023 -0.998 7.703 1.00 43.52 N ATOM 568 CA TYR A 518 -3.750 -1.434 6.338 1.00 13.14 C ATOM 569 C TYR A 518 -4.214 -2.871 6.123 1.00 32.23 C ATOM 570 O TYR A 518 -4.701 -3.224 5.049 1.00 52.44 O ATOM 571 CB TYR A 518 -2.256 -1.317 6.032 1.00 32.10 C ATOM 572 CG TYR A 518 -1.957 -0.566 4.754 1.00 10.25 C ATOM 573 CD1 TYR A 518 -1.151 -1.123 3.770 1.00 64.01 C ATOM 574 CD2 TYR A 518 -2.482 0.701 4.532 1.00 41.43 C ATOM 575 CE1 TYR A 518 -0.874 -0.440 2.602 1.00 51.33 C ATOM 576 CE2 TYR A 518 -2.212 1.392 3.366 1.00 61.53 C ATOM 577 CZ TYR A 518 -1.407 0.817 2.404 1.00 32.01 C ATOM 578 OH TYR A 518 -1.135 1.500 1.241 1.00 12.30 O ATOM 0 H TYR A 518 -3.196 -0.718 8.230 1.00 43.52 H new ATOM 0 HA TYR A 518 -4.305 -0.787 5.659 1.00 13.14 H new ATOM 0 HB2 TYR A 518 -1.762 -0.814 6.863 1.00 32.10 H new ATOM 0 HB3 TYR A 518 -1.828 -2.317 5.964 1.00 32.10 H new ATOM 0 HD1 TYR A 518 -0.733 -2.108 3.921 1.00 64.01 H new ATOM 0 HD2 TYR A 518 -3.112 1.154 5.283 1.00 41.43 H new ATOM 0 HE1 TYR A 518 -0.244 -0.887 1.848 1.00 51.33 H new ATOM 0 HE2 TYR A 518 -2.628 2.376 3.209 1.00 61.53 H new ATOM 0 HH TYR A 518 -0.166 1.611 1.146 1.00 12.30 H new ATOM 588 N ILE A 519 -4.060 -3.696 7.153 1.00 22.24 N ATOM 589 CA ILE A 519 -4.464 -5.095 7.079 1.00 51.43 C ATOM 590 C ILE A 519 -5.940 -5.222 6.718 1.00 51.44 C ATOM 591 O ILE A 519 -6.765 -4.412 7.139 1.00 71.01 O ATOM 592 CB ILE A 519 -4.208 -5.826 8.409 1.00 20.44 C ATOM 593 CG1 ILE A 519 -2.722 -5.770 8.770 1.00 70.01 C ATOM 594 CG2 ILE A 519 -4.683 -7.269 8.320 1.00 24.13 C ATOM 595 CD1 ILE A 519 -2.465 -5.615 10.253 1.00 73.35 C ATOM 0 H ILE A 519 -3.658 -3.420 8.049 1.00 22.24 H new ATOM 0 HA ILE A 519 -3.860 -5.557 6.298 1.00 51.43 H new ATOM 0 HB ILE A 519 -4.772 -5.326 9.196 1.00 20.44 H new ATOM 0 HG12 ILE A 519 -2.237 -6.681 8.419 1.00 70.01 H new ATOM 0 HG13 ILE A 519 -2.259 -4.937 8.240 1.00 70.01 H new ATOM 0 HG21 ILE A 519 -4.495 -7.773 9.268 1.00 24.13 H new ATOM 0 HG22 ILE A 519 -5.751 -7.288 8.104 1.00 24.13 H new ATOM 0 HG23 ILE A 519 -4.143 -7.781 7.524 1.00 24.13 H new ATOM 0 HD11 ILE A 519 -1.391 -5.583 10.435 1.00 73.35 H new ATOM 0 HD12 ILE A 519 -2.921 -4.690 10.607 1.00 73.35 H new ATOM 0 HD13 ILE A 519 -2.898 -6.460 10.788 1.00 73.35 H new ATOM 607 N GLY A 520 -6.266 -6.246 5.935 1.00 54.21 N ATOM 608 CA GLY A 520 -7.644 -6.462 5.531 1.00 4.23 C ATOM 609 C GLY A 520 -8.504 -6.988 6.663 1.00 24.30 C ATOM 610 O GLY A 520 -8.628 -6.349 7.706 1.00 2.54 O ATOM 0 H GLY A 520 -5.601 -6.930 5.573 1.00 54.21 H new ATOM 0 HA2 GLY A 520 -8.063 -5.525 5.165 1.00 4.23 H new ATOM 0 HA3 GLY A 520 -7.670 -7.168 4.701 1.00 4.23 H new ATOM 614 N ASN A 521 -9.101 -8.158 6.456 1.00 45.41 N ATOM 615 CA ASN A 521 -9.956 -8.769 7.467 1.00 43.11 C ATOM 616 C ASN A 521 -9.163 -9.742 8.334 1.00 3.11 C ATOM 617 O ASN A 521 -8.459 -10.613 7.822 1.00 4.04 O ATOM 618 CB ASN A 521 -11.126 -9.497 6.802 1.00 24.54 C ATOM 619 CG ASN A 521 -12.228 -8.549 6.373 1.00 33.20 C ATOM 620 OD1 ASN A 521 -11.848 -7.452 5.728 1.00 34.11 O flip ATOM 621 ND2 ASN A 521 -13.408 -8.800 6.618 1.00 24.52 N flip ATOM 0 H ASN A 521 -9.008 -8.701 5.598 1.00 45.41 H new ATOM 0 HA ASN A 521 -10.346 -7.976 8.106 1.00 43.11 H new ATOM 0 HB2 ASN A 521 -10.763 -10.045 5.932 1.00 24.54 H new ATOM 0 HB3 ASN A 521 -11.533 -10.233 7.495 1.00 24.54 H new ATOM 0 HD21 ASN A 521 -13.655 -9.655 7.116 1.00 24.52 H new ATOM 0 HD22 ASN A 521 -14.139 -8.153 6.323 1.00 24.52 H new ATOM 628 N ILE A 522 -9.283 -9.587 9.648 1.00 23.53 N ATOM 629 CA ILE A 522 -8.579 -10.453 10.586 1.00 22.22 C ATOM 630 C ILE A 522 -9.556 -11.176 11.507 1.00 11.31 C ATOM 631 O ILE A 522 -10.464 -10.564 12.070 1.00 10.14 O ATOM 632 CB ILE A 522 -7.576 -9.658 11.443 1.00 51.22 C ATOM 633 CG1 ILE A 522 -6.717 -8.755 10.555 1.00 61.20 C ATOM 634 CG2 ILE A 522 -6.701 -10.605 12.250 1.00 45.14 C ATOM 635 CD1 ILE A 522 -7.031 -7.283 10.706 1.00 22.32 C ATOM 0 H ILE A 522 -9.861 -8.870 10.087 1.00 23.53 H new ATOM 0 HA ILE A 522 -8.035 -11.186 9.990 1.00 22.22 H new ATOM 0 HB ILE A 522 -8.132 -9.029 12.138 1.00 51.22 H new ATOM 0 HG12 ILE A 522 -5.666 -8.920 10.792 1.00 61.20 H new ATOM 0 HG13 ILE A 522 -6.858 -9.043 9.513 1.00 61.20 H new ATOM 0 HG21 ILE A 522 -5.998 -10.028 12.850 1.00 45.14 H new ATOM 0 HG22 ILE A 522 -7.328 -11.209 12.906 1.00 45.14 H new ATOM 0 HG23 ILE A 522 -6.150 -11.257 11.573 1.00 45.14 H new ATOM 0 HD11 ILE A 522 -6.384 -6.704 10.047 1.00 22.32 H new ATOM 0 HD12 ILE A 522 -8.073 -7.104 10.441 1.00 22.32 H new ATOM 0 HD13 ILE A 522 -6.862 -6.979 11.739 1.00 22.32 H new ATOM 647 N LYS A 523 -9.363 -12.482 11.658 1.00 53.33 N ATOM 648 CA LYS A 523 -10.225 -13.289 12.513 1.00 61.31 C ATOM 649 C LYS A 523 -9.428 -13.912 13.655 1.00 74.21 C ATOM 650 O LYS A 523 -8.232 -14.173 13.521 1.00 71.42 O ATOM 651 CB LYS A 523 -10.906 -14.388 11.694 1.00 52.23 C ATOM 652 CG LYS A 523 -12.069 -15.050 12.412 1.00 11.23 C ATOM 653 CD LYS A 523 -12.537 -16.299 11.684 1.00 42.43 C ATOM 654 CE LYS A 523 -12.009 -17.561 12.347 1.00 21.40 C ATOM 655 NZ LYS A 523 -12.060 -18.733 11.429 1.00 3.10 N ATOM 0 H LYS A 523 -8.617 -13.004 11.199 1.00 53.33 H new ATOM 0 HA LYS A 523 -10.987 -12.636 12.938 1.00 61.31 H new ATOM 0 HB2 LYS A 523 -11.264 -13.962 10.757 1.00 52.23 H new ATOM 0 HB3 LYS A 523 -10.168 -15.148 11.437 1.00 52.23 H new ATOM 0 HG2 LYS A 523 -11.770 -15.310 13.427 1.00 11.23 H new ATOM 0 HG3 LYS A 523 -12.896 -14.345 12.494 1.00 11.23 H new ATOM 0 HD2 LYS A 523 -13.627 -16.324 11.667 1.00 42.43 H new ATOM 0 HD3 LYS A 523 -12.202 -16.264 10.647 1.00 42.43 H new ATOM 0 HE2 LYS A 523 -10.981 -17.398 12.671 1.00 21.40 H new ATOM 0 HE3 LYS A 523 -12.595 -17.774 13.241 1.00 21.40 H new ATOM 0 HZ1 LYS A 523 -11.692 -19.573 11.918 1.00 3.10 H new ATOM 0 HZ2 LYS A 523 -13.044 -18.905 11.139 1.00 3.10 H new ATOM 0 HZ3 LYS A 523 -11.480 -18.540 10.587 1.00 3.10 H new ATOM 669 N LEU A 524 -10.099 -14.149 14.777 1.00 24.21 N ATOM 670 CA LEU A 524 -9.453 -14.743 15.943 1.00 72.53 C ATOM 671 C LEU A 524 -10.385 -15.732 16.636 1.00 13.34 C ATOM 672 O LEU A 524 -11.192 -15.350 17.485 1.00 42.23 O ATOM 673 CB LEU A 524 -9.026 -13.652 16.925 1.00 2.14 C ATOM 674 CG LEU A 524 -8.021 -14.071 17.999 1.00 33.42 C ATOM 675 CD1 LEU A 524 -8.690 -14.958 19.039 1.00 40.34 C ATOM 676 CD2 LEU A 524 -6.835 -14.787 17.369 1.00 10.24 C ATOM 0 H LEU A 524 -11.089 -13.939 14.904 1.00 24.21 H new ATOM 0 HA LEU A 524 -8.569 -15.282 15.603 1.00 72.53 H new ATOM 0 HB2 LEU A 524 -8.597 -12.827 16.356 1.00 2.14 H new ATOM 0 HB3 LEU A 524 -9.918 -13.268 17.420 1.00 2.14 H new ATOM 0 HG LEU A 524 -7.655 -13.173 18.498 1.00 33.42 H new ATOM 0 HD11 LEU A 524 -7.960 -15.246 19.795 1.00 40.34 H new ATOM 0 HD12 LEU A 524 -9.506 -14.412 19.512 1.00 40.34 H new ATOM 0 HD13 LEU A 524 -9.084 -15.852 18.556 1.00 40.34 H new ATOM 0 HD21 LEU A 524 -6.130 -15.078 18.148 1.00 10.24 H new ATOM 0 HD22 LEU A 524 -7.184 -15.677 16.845 1.00 10.24 H new ATOM 0 HD23 LEU A 524 -6.341 -14.120 16.663 1.00 10.24 H new ATOM 688 N PHE A 525 -10.268 -17.004 16.272 1.00 64.14 N ATOM 689 CA PHE A 525 -11.099 -18.048 16.860 1.00 62.03 C ATOM 690 C PHE A 525 -10.395 -18.699 18.047 1.00 72.21 C ATOM 691 O PHE A 525 -9.391 -18.190 18.542 1.00 4.33 O ATOM 692 CB PHE A 525 -11.441 -19.108 15.811 1.00 31.30 C ATOM 693 CG PHE A 525 -12.914 -19.375 15.687 1.00 40.14 C ATOM 694 CD1 PHE A 525 -13.410 -20.664 15.796 1.00 22.01 C ATOM 695 CD2 PHE A 525 -13.803 -18.336 15.460 1.00 64.33 C ATOM 696 CE1 PHE A 525 -14.765 -20.913 15.682 1.00 3.25 C ATOM 697 CE2 PHE A 525 -15.158 -18.579 15.346 1.00 55.13 C ATOM 698 CZ PHE A 525 -15.640 -19.869 15.456 1.00 40.20 C ATOM 0 H PHE A 525 -9.605 -17.337 15.572 1.00 64.14 H new ATOM 0 HA PHE A 525 -12.021 -17.587 17.215 1.00 62.03 H new ATOM 0 HB2 PHE A 525 -11.055 -18.788 14.843 1.00 31.30 H new ATOM 0 HB3 PHE A 525 -10.932 -20.037 16.066 1.00 31.30 H new ATOM 0 HD1 PHE A 525 -12.730 -21.484 15.972 1.00 22.01 H new ATOM 0 HD2 PHE A 525 -13.432 -17.326 15.371 1.00 64.33 H new ATOM 0 HE1 PHE A 525 -15.139 -21.923 15.770 1.00 3.25 H new ATOM 0 HE2 PHE A 525 -15.841 -17.761 15.171 1.00 55.13 H new ATOM 0 HZ PHE A 525 -16.699 -20.061 15.365 1.00 40.20 H new ATOM 708 N ALA A 526 -10.931 -19.828 18.498 1.00 33.50 N ATOM 709 CA ALA A 526 -10.355 -20.551 19.625 1.00 10.44 C ATOM 710 C ALA A 526 -8.974 -21.097 19.279 1.00 11.04 C ATOM 711 O ALA A 526 -8.028 -20.954 20.053 1.00 5.41 O ATOM 712 CB ALA A 526 -11.279 -21.680 20.056 1.00 22.15 C ATOM 0 H ALA A 526 -11.764 -20.262 18.100 1.00 33.50 H new ATOM 0 HA ALA A 526 -10.243 -19.852 20.454 1.00 10.44 H new ATOM 0 HB1 ALA A 526 -10.836 -22.211 20.898 1.00 22.15 H new ATOM 0 HB2 ALA A 526 -12.243 -21.268 20.354 1.00 22.15 H new ATOM 0 HB3 ALA A 526 -11.421 -22.371 19.225 1.00 22.15 H new ATOM 718 N SER A 527 -8.866 -21.724 18.112 1.00 33.35 N ATOM 719 CA SER A 527 -7.601 -22.296 17.666 1.00 34.52 C ATOM 720 C SER A 527 -7.343 -21.965 16.200 1.00 43.14 C ATOM 721 O SER A 527 -6.765 -22.765 15.463 1.00 40.12 O ATOM 722 CB SER A 527 -7.605 -23.813 17.865 1.00 72.41 C ATOM 723 OG SER A 527 -8.243 -24.167 19.080 1.00 1.10 O ATOM 0 H SER A 527 -9.639 -21.849 17.458 1.00 33.35 H new ATOM 0 HA SER A 527 -6.802 -21.860 18.265 1.00 34.52 H new ATOM 0 HB2 SER A 527 -8.116 -24.291 17.030 1.00 72.41 H new ATOM 0 HB3 SER A 527 -6.581 -24.185 17.867 1.00 72.41 H new ATOM 0 HG SER A 527 -8.234 -25.142 19.183 1.00 1.10 H new ATOM 729 N HIS A 528 -7.775 -20.779 15.782 1.00 22.13 N ATOM 730 CA HIS A 528 -7.590 -20.340 14.404 1.00 51.13 C ATOM 731 C HIS A 528 -7.607 -18.817 14.312 1.00 73.13 C ATOM 732 O HIS A 528 -8.063 -18.135 15.230 1.00 70.23 O ATOM 733 CB HIS A 528 -8.680 -20.929 13.508 1.00 14.11 C ATOM 734 CG HIS A 528 -8.439 -22.358 13.132 1.00 61.33 C ATOM 735 ND1 HIS A 528 -7.606 -22.734 12.099 1.00 20.20 N ATOM 736 CD2 HIS A 528 -8.925 -23.507 13.658 1.00 54.33 C ATOM 737 CE1 HIS A 528 -7.592 -24.052 12.005 1.00 1.10 C ATOM 738 NE2 HIS A 528 -8.384 -24.545 12.940 1.00 52.31 N ATOM 0 H HIS A 528 -8.256 -20.105 16.378 1.00 22.13 H new ATOM 0 HA HIS A 528 -6.618 -20.696 14.063 1.00 51.13 H new ATOM 0 HB2 HIS A 528 -9.639 -20.853 14.020 1.00 14.11 H new ATOM 0 HB3 HIS A 528 -8.755 -20.331 12.600 1.00 14.11 H new ATOM 0 HD1 HIS A 528 -7.083 -22.095 11.501 1.00 20.20 H new ATOM 0 HD2 HIS A 528 -9.611 -23.591 14.488 1.00 54.33 H new ATOM 0 HE1 HIS A 528 -7.029 -24.628 11.286 1.00 1.10 H new ATOM 746 N SER A 529 -7.107 -18.291 13.198 1.00 12.44 N ATOM 747 CA SER A 529 -7.061 -16.848 12.989 1.00 61.33 C ATOM 748 C SER A 529 -6.737 -16.521 11.534 1.00 12.11 C ATOM 749 O SER A 529 -5.808 -17.080 10.951 1.00 63.01 O ATOM 750 CB SER A 529 -6.020 -16.211 13.911 1.00 42.33 C ATOM 751 OG SER A 529 -5.045 -17.158 14.312 1.00 72.14 O ATOM 0 H SER A 529 -6.729 -18.842 12.427 1.00 12.44 H new ATOM 0 HA SER A 529 -8.043 -16.439 13.225 1.00 61.33 H new ATOM 0 HB2 SER A 529 -5.535 -15.380 13.398 1.00 42.33 H new ATOM 0 HB3 SER A 529 -6.513 -15.798 14.791 1.00 42.33 H new ATOM 0 HG SER A 529 -5.355 -17.627 15.115 1.00 72.14 H new ATOM 757 N THR A 530 -7.512 -15.610 10.953 1.00 64.14 N ATOM 758 CA THR A 530 -7.310 -15.208 9.566 1.00 3.14 C ATOM 759 C THR A 530 -6.723 -13.804 9.481 1.00 1.42 C ATOM 760 O THR A 530 -6.714 -13.064 10.466 1.00 40.13 O ATOM 761 CB THR A 530 -8.628 -15.250 8.771 1.00 34.14 C ATOM 762 OG1 THR A 530 -9.467 -14.155 9.155 1.00 1.50 O ATOM 763 CG2 THR A 530 -9.361 -16.562 9.007 1.00 24.51 C ATOM 0 H THR A 530 -8.285 -15.137 11.421 1.00 64.14 H new ATOM 0 HA THR A 530 -6.609 -15.919 9.130 1.00 3.14 H new ATOM 0 HB THR A 530 -8.389 -15.170 7.711 1.00 34.14 H new ATOM 0 HG1 THR A 530 -10.302 -14.188 8.644 1.00 1.50 H new ATOM 0 HG21 THR A 530 -10.289 -16.568 8.435 1.00 24.51 H new ATOM 0 HG22 THR A 530 -8.732 -17.393 8.687 1.00 24.51 H new ATOM 0 HG23 THR A 530 -9.588 -16.666 10.068 1.00 24.51 H new ATOM 771 N ILE A 531 -6.235 -13.442 8.300 1.00 65.14 N ATOM 772 CA ILE A 531 -5.648 -12.125 8.087 1.00 64.04 C ATOM 773 C ILE A 531 -5.301 -11.909 6.617 1.00 13.54 C ATOM 774 O ILE A 531 -4.847 -12.826 5.935 1.00 24.35 O ATOM 775 CB ILE A 531 -4.377 -11.931 8.936 1.00 55.32 C ATOM 776 CG1 ILE A 531 -3.734 -10.577 8.627 1.00 23.35 C ATOM 777 CG2 ILE A 531 -3.392 -13.062 8.682 1.00 75.00 C ATOM 778 CD1 ILE A 531 -2.889 -10.038 9.761 1.00 54.33 C ATOM 0 H ILE A 531 -6.234 -14.042 7.475 1.00 65.14 H new ATOM 0 HA ILE A 531 -6.395 -11.393 8.393 1.00 64.04 H new ATOM 0 HB ILE A 531 -4.655 -11.949 9.990 1.00 55.32 H new ATOM 0 HG12 ILE A 531 -3.114 -10.673 7.736 1.00 23.35 H new ATOM 0 HG13 ILE A 531 -4.518 -9.856 8.394 1.00 23.35 H new ATOM 0 HG21 ILE A 531 -2.499 -12.910 9.289 1.00 75.00 H new ATOM 0 HG22 ILE A 531 -3.854 -14.013 8.947 1.00 75.00 H new ATOM 0 HG23 ILE A 531 -3.116 -13.074 7.628 1.00 75.00 H new ATOM 0 HD11 ILE A 531 -2.464 -9.076 9.473 1.00 54.33 H new ATOM 0 HD12 ILE A 531 -3.509 -9.910 10.648 1.00 54.33 H new ATOM 0 HD13 ILE A 531 -2.084 -10.739 9.980 1.00 54.33 H new ATOM 790 N GLU A 532 -5.518 -10.688 6.137 1.00 14.15 N ATOM 791 CA GLU A 532 -5.228 -10.351 4.749 1.00 61.12 C ATOM 792 C GLU A 532 -4.202 -9.225 4.665 1.00 4.13 C ATOM 793 O GLU A 532 -4.383 -8.159 5.256 1.00 24.43 O ATOM 794 CB GLU A 532 -6.510 -9.942 4.021 1.00 33.20 C ATOM 795 CG GLU A 532 -6.334 -9.781 2.521 1.00 44.15 C ATOM 796 CD GLU A 532 -7.604 -10.081 1.748 1.00 5.40 C ATOM 797 OE1 GLU A 532 -7.782 -11.244 1.330 1.00 14.12 O ATOM 798 OE2 GLU A 532 -8.418 -9.153 1.561 1.00 1.21 O ATOM 0 H GLU A 532 -5.893 -9.917 6.689 1.00 14.15 H new ATOM 0 HA GLU A 532 -4.812 -11.236 4.267 1.00 61.12 H new ATOM 0 HB2 GLU A 532 -7.279 -10.691 4.210 1.00 33.20 H new ATOM 0 HB3 GLU A 532 -6.871 -9.002 4.439 1.00 33.20 H new ATOM 0 HG2 GLU A 532 -6.013 -8.762 2.304 1.00 44.15 H new ATOM 0 HG3 GLU A 532 -5.540 -10.445 2.179 1.00 44.15 H new ATOM 805 N LEU A 533 -3.124 -9.469 3.928 1.00 4.53 N ATOM 806 CA LEU A 533 -2.067 -8.476 3.767 1.00 43.11 C ATOM 807 C LEU A 533 -2.049 -7.925 2.345 1.00 75.24 C ATOM 808 O LEU A 533 -2.112 -8.668 1.364 1.00 15.44 O ATOM 809 CB LEU A 533 -0.707 -9.090 4.105 1.00 72.33 C ATOM 810 CG LEU A 533 -0.117 -8.709 5.463 1.00 34.41 C ATOM 811 CD1 LEU A 533 -1.131 -8.948 6.571 1.00 33.01 C ATOM 812 CD2 LEU A 533 1.160 -9.493 5.729 1.00 72.04 C ATOM 0 H LEU A 533 -2.959 -10.345 3.433 1.00 4.53 H new ATOM 0 HA LEU A 533 -2.268 -7.653 4.453 1.00 43.11 H new ATOM 0 HB2 LEU A 533 -0.800 -10.175 4.064 1.00 72.33 H new ATOM 0 HB3 LEU A 533 0.002 -8.801 3.329 1.00 72.33 H new ATOM 0 HG LEU A 533 0.129 -7.647 5.446 1.00 34.41 H new ATOM 0 HD11 LEU A 533 -0.694 -8.671 7.530 1.00 33.01 H new ATOM 0 HD12 LEU A 533 -2.019 -8.342 6.389 1.00 33.01 H new ATOM 0 HD13 LEU A 533 -1.408 -10.002 6.589 1.00 33.01 H new ATOM 0 HD21 LEU A 533 1.566 -9.209 6.700 1.00 72.04 H new ATOM 0 HD22 LEU A 533 0.939 -10.560 5.726 1.00 72.04 H new ATOM 0 HD23 LEU A 533 1.891 -9.272 4.951 1.00 72.04 H new ATOM 824 N PRO A 534 -1.960 -6.592 2.227 1.00 20.10 N ATOM 825 CA PRO A 534 -1.929 -5.912 0.929 1.00 73.23 C ATOM 826 C PRO A 534 -0.629 -6.164 0.173 1.00 72.31 C ATOM 827 O PRO A 534 -0.481 -5.760 -0.981 1.00 22.24 O ATOM 828 CB PRO A 534 -2.054 -4.432 1.300 1.00 24.41 C ATOM 829 CG PRO A 534 -1.523 -4.345 2.689 1.00 3.33 C ATOM 830 CD PRO A 534 -1.881 -5.646 3.353 1.00 53.25 C ATOM 0 HA PRO A 534 -2.717 -6.267 0.265 1.00 73.23 H new ATOM 0 HB2 PRO A 534 -1.483 -3.803 0.617 1.00 24.41 H new ATOM 0 HB3 PRO A 534 -3.090 -4.097 1.250 1.00 24.41 H new ATOM 0 HG2 PRO A 534 -0.444 -4.193 2.685 1.00 3.33 H new ATOM 0 HG3 PRO A 534 -1.962 -3.501 3.222 1.00 3.33 H new ATOM 0 HD2 PRO A 534 -1.126 -5.948 4.079 1.00 53.25 H new ATOM 0 HD3 PRO A 534 -2.828 -5.577 3.888 1.00 53.25 H new ATOM 838 N LYS A 535 0.311 -6.835 0.830 1.00 70.44 N ATOM 839 CA LYS A 535 1.599 -7.144 0.220 1.00 50.32 C ATOM 840 C LYS A 535 1.416 -7.678 -1.197 1.00 21.50 C ATOM 841 O LYS A 535 0.444 -8.374 -1.488 1.00 30.25 O ATOM 842 CB LYS A 535 2.357 -8.167 1.069 1.00 75.13 C ATOM 843 CG LYS A 535 2.600 -7.712 2.497 1.00 13.42 C ATOM 844 CD LYS A 535 3.954 -7.038 2.645 1.00 53.02 C ATOM 845 CE LYS A 535 3.978 -5.680 1.960 1.00 64.33 C ATOM 846 NZ LYS A 535 4.970 -4.762 2.585 1.00 52.53 N ATOM 0 H LYS A 535 0.205 -7.175 1.786 1.00 70.44 H new ATOM 0 HA LYS A 535 2.179 -6.223 0.170 1.00 50.32 H new ATOM 0 HB2 LYS A 535 1.795 -9.101 1.085 1.00 75.13 H new ATOM 0 HB3 LYS A 535 3.316 -8.380 0.596 1.00 75.13 H new ATOM 0 HG2 LYS A 535 1.813 -7.020 2.798 1.00 13.42 H new ATOM 0 HG3 LYS A 535 2.544 -8.570 3.168 1.00 13.42 H new ATOM 0 HD2 LYS A 535 4.188 -6.917 3.703 1.00 53.02 H new ATOM 0 HD3 LYS A 535 4.728 -7.676 2.218 1.00 53.02 H new ATOM 0 HE2 LYS A 535 4.218 -5.810 0.905 1.00 64.33 H new ATOM 0 HE3 LYS A 535 2.986 -5.231 2.009 1.00 64.33 H new ATOM 0 HZ1 LYS A 535 4.956 -3.847 2.090 1.00 52.53 H new ATOM 0 HZ2 LYS A 535 4.727 -4.618 3.586 1.00 52.53 H new ATOM 0 HZ3 LYS A 535 5.920 -5.179 2.516 1.00 52.53 H new ATOM 860 N GLY A 536 2.359 -7.350 -2.075 1.00 54.54 N ATOM 861 CA GLY A 536 2.283 -7.807 -3.451 1.00 11.43 C ATOM 862 C GLY A 536 3.546 -8.517 -3.896 1.00 50.50 C ATOM 863 O GLY A 536 4.023 -8.308 -5.011 1.00 54.12 O ATOM 0 H GLY A 536 3.174 -6.776 -1.858 1.00 54.54 H new ATOM 0 HA2 GLY A 536 1.433 -8.481 -3.561 1.00 11.43 H new ATOM 0 HA3 GLY A 536 2.100 -6.954 -4.104 1.00 11.43 H new ATOM 867 N MET A 537 4.090 -9.357 -3.022 1.00 3.42 N ATOM 868 CA MET A 537 5.307 -10.099 -3.332 1.00 34.24 C ATOM 869 C MET A 537 5.667 -11.051 -2.195 1.00 52.22 C ATOM 870 O MET A 537 6.675 -10.882 -1.508 1.00 73.34 O ATOM 871 CB MET A 537 6.466 -9.135 -3.592 1.00 73.31 C ATOM 872 CG MET A 537 7.505 -9.682 -4.557 1.00 5.12 C ATOM 873 SD MET A 537 8.506 -8.384 -5.309 1.00 11.25 S ATOM 874 CE MET A 537 8.463 -8.877 -7.030 1.00 21.22 C ATOM 0 H MET A 537 3.708 -9.541 -2.094 1.00 3.42 H new ATOM 0 HA MET A 537 5.125 -10.687 -4.232 1.00 34.24 H new ATOM 0 HB2 MET A 537 6.069 -8.201 -3.989 1.00 73.31 H new ATOM 0 HB3 MET A 537 6.951 -8.898 -2.645 1.00 73.31 H new ATOM 0 HG2 MET A 537 8.157 -10.377 -4.028 1.00 5.12 H new ATOM 0 HG3 MET A 537 7.004 -10.249 -5.341 1.00 5.12 H new ATOM 0 HE1 MET A 537 9.040 -8.170 -7.626 1.00 21.22 H new ATOM 0 HE2 MET A 537 8.892 -9.874 -7.134 1.00 21.22 H new ATOM 0 HE3 MET A 537 7.431 -8.888 -7.380 1.00 21.22 H new ATOM 884 N PRO A 538 4.825 -12.075 -1.990 1.00 42.13 N ATOM 885 CA PRO A 538 5.035 -13.073 -0.938 1.00 32.43 C ATOM 886 C PRO A 538 6.225 -13.982 -1.229 1.00 14.42 C ATOM 887 O PRO A 538 6.976 -13.752 -2.176 1.00 30.34 O ATOM 888 CB PRO A 538 3.733 -13.878 -0.948 1.00 32.13 C ATOM 889 CG PRO A 538 3.198 -13.716 -2.329 1.00 12.34 C ATOM 890 CD PRO A 538 3.604 -12.337 -2.771 1.00 24.32 C ATOM 0 HA PRO A 538 5.259 -12.610 0.023 1.00 32.43 H new ATOM 0 HB2 PRO A 538 3.914 -14.927 -0.714 1.00 32.13 H new ATOM 0 HB3 PRO A 538 3.030 -13.503 -0.204 1.00 32.13 H new ATOM 0 HG2 PRO A 538 3.605 -14.475 -2.997 1.00 12.34 H new ATOM 0 HG3 PRO A 538 2.114 -13.827 -2.343 1.00 12.34 H new ATOM 0 HD2 PRO A 538 3.797 -12.299 -3.843 1.00 24.32 H new ATOM 0 HD3 PRO A 538 2.827 -11.602 -2.561 1.00 24.32 H new ATOM 898 N GLY A 539 6.390 -15.015 -0.408 1.00 52.41 N ATOM 899 CA GLY A 539 7.490 -15.942 -0.595 1.00 63.00 C ATOM 900 C GLY A 539 8.744 -15.509 0.139 1.00 61.43 C ATOM 901 O GLY A 539 9.781 -16.165 0.047 1.00 44.10 O ATOM 0 H GLY A 539 5.781 -15.226 0.383 1.00 52.41 H new ATOM 0 HA2 GLY A 539 7.191 -16.931 -0.246 1.00 63.00 H new ATOM 0 HA3 GLY A 539 7.708 -16.032 -1.659 1.00 63.00 H new ATOM 905 N GLU A 540 8.649 -14.402 0.867 1.00 0.45 N ATOM 906 CA GLU A 540 9.786 -13.881 1.617 1.00 23.55 C ATOM 907 C GLU A 540 9.961 -14.635 2.933 1.00 13.31 C ATOM 908 O GLU A 540 11.050 -15.113 3.248 1.00 64.44 O ATOM 909 CB GLU A 540 9.604 -12.387 1.893 1.00 73.52 C ATOM 910 CG GLU A 540 9.066 -11.610 0.703 1.00 63.42 C ATOM 911 CD GLU A 540 9.982 -11.684 -0.504 1.00 2.45 C ATOM 912 OE1 GLU A 540 10.824 -10.775 -0.664 1.00 64.50 O ATOM 913 OE2 GLU A 540 9.857 -12.648 -1.287 1.00 12.13 O ATOM 0 H GLU A 540 7.797 -13.848 0.954 1.00 0.45 H new ATOM 0 HA GLU A 540 10.682 -14.024 1.013 1.00 23.55 H new ATOM 0 HB2 GLU A 540 8.924 -12.262 2.736 1.00 73.52 H new ATOM 0 HB3 GLU A 540 10.562 -11.962 2.191 1.00 73.52 H new ATOM 0 HG2 GLU A 540 8.084 -11.999 0.434 1.00 63.42 H new ATOM 0 HG3 GLU A 540 8.929 -10.567 0.987 1.00 63.42 H new ATOM 920 N VAL A 541 8.879 -14.735 3.699 1.00 73.13 N ATOM 921 CA VAL A 541 8.911 -15.430 4.980 1.00 13.11 C ATOM 922 C VAL A 541 8.884 -16.942 4.786 1.00 0.22 C ATOM 923 O VAL A 541 9.479 -17.689 5.564 1.00 71.20 O ATOM 924 CB VAL A 541 7.725 -15.017 5.872 1.00 0.23 C ATOM 925 CG1 VAL A 541 7.815 -15.698 7.229 1.00 33.42 C ATOM 926 CG2 VAL A 541 7.678 -13.504 6.028 1.00 32.33 C ATOM 0 H VAL A 541 7.970 -14.343 3.454 1.00 73.13 H new ATOM 0 HA VAL A 541 9.842 -15.146 5.471 1.00 13.11 H new ATOM 0 HB VAL A 541 6.801 -15.339 5.391 1.00 0.23 H new ATOM 0 HG11 VAL A 541 6.969 -15.394 7.845 1.00 33.42 H new ATOM 0 HG12 VAL A 541 7.797 -16.780 7.095 1.00 33.42 H new ATOM 0 HG13 VAL A 541 8.744 -15.409 7.720 1.00 33.42 H new ATOM 0 HG21 VAL A 541 6.834 -13.230 6.661 1.00 32.33 H new ATOM 0 HG22 VAL A 541 8.604 -13.157 6.487 1.00 32.33 H new ATOM 0 HG23 VAL A 541 7.562 -13.041 5.048 1.00 32.33 H new ATOM 936 N LEU A 542 8.191 -17.387 3.744 1.00 40.21 N ATOM 937 CA LEU A 542 8.087 -18.811 3.446 1.00 32.12 C ATOM 938 C LEU A 542 9.446 -19.388 3.063 1.00 33.31 C ATOM 939 O LEU A 542 9.668 -20.594 3.164 1.00 63.45 O ATOM 940 CB LEU A 542 7.084 -19.044 2.315 1.00 51.32 C ATOM 941 CG LEU A 542 5.607 -18.991 2.706 1.00 74.20 C ATOM 942 CD1 LEU A 542 5.135 -17.550 2.817 1.00 13.23 C ATOM 943 CD2 LEU A 542 4.761 -19.755 1.698 1.00 55.02 C ATOM 0 H LEU A 542 7.693 -16.782 3.091 1.00 40.21 H new ATOM 0 HA LEU A 542 7.737 -19.320 4.344 1.00 32.12 H new ATOM 0 HB2 LEU A 542 7.261 -18.298 1.540 1.00 51.32 H new ATOM 0 HB3 LEU A 542 7.287 -20.019 1.871 1.00 51.32 H new ATOM 0 HG LEU A 542 5.492 -19.465 3.681 1.00 74.20 H new ATOM 0 HD11 LEU A 542 4.081 -17.533 3.096 1.00 13.23 H new ATOM 0 HD12 LEU A 542 5.720 -17.033 3.577 1.00 13.23 H new ATOM 0 HD13 LEU A 542 5.264 -17.050 1.857 1.00 13.23 H new ATOM 0 HD21 LEU A 542 3.713 -19.707 1.992 1.00 55.02 H new ATOM 0 HD22 LEU A 542 4.882 -19.310 0.710 1.00 55.02 H new ATOM 0 HD23 LEU A 542 5.082 -20.796 1.669 1.00 55.02 H new ATOM 955 N GLN A 543 10.351 -18.518 2.626 1.00 35.23 N ATOM 956 CA GLN A 543 11.688 -18.942 2.230 1.00 62.21 C ATOM 957 C GLN A 543 12.591 -19.104 3.448 1.00 2.03 C ATOM 958 O GLN A 543 13.123 -20.186 3.700 1.00 2.34 O ATOM 959 CB GLN A 543 12.299 -17.931 1.258 1.00 63.40 C ATOM 960 CG GLN A 543 11.877 -18.145 -0.187 1.00 2.23 C ATOM 961 CD GLN A 543 12.216 -16.963 -1.074 1.00 60.43 C ATOM 962 OE1 GLN A 543 12.803 -15.980 -0.621 1.00 70.25 O ATOM 963 NE2 GLN A 543 11.847 -17.054 -2.347 1.00 3.42 N ATOM 0 H GLN A 543 10.182 -17.516 2.537 1.00 35.23 H new ATOM 0 HA GLN A 543 11.603 -19.908 1.733 1.00 62.21 H new ATOM 0 HB2 GLN A 543 12.014 -16.925 1.566 1.00 63.40 H new ATOM 0 HB3 GLN A 543 13.386 -17.988 1.323 1.00 63.40 H new ATOM 0 HG2 GLN A 543 12.366 -19.038 -0.576 1.00 2.23 H new ATOM 0 HG3 GLN A 543 10.803 -18.327 -0.225 1.00 2.23 H new ATOM 0 HE21 GLN A 543 11.362 -17.888 -2.679 1.00 3.42 H new ATOM 0 HE22 GLN A 543 12.048 -16.290 -2.992 1.00 3.42 H new ATOM 972 N HIS A 544 12.761 -18.022 4.201 1.00 14.32 N ATOM 973 CA HIS A 544 13.600 -18.044 5.394 1.00 13.11 C ATOM 974 C HIS A 544 12.944 -18.859 6.505 1.00 53.33 C ATOM 975 O HIS A 544 13.540 -19.795 7.037 1.00 60.33 O ATOM 976 CB HIS A 544 13.868 -16.620 5.881 1.00 3.40 C ATOM 977 CG HIS A 544 14.930 -15.909 5.099 1.00 71.42 C ATOM 978 ND1 HIS A 544 14.656 -14.892 4.209 1.00 33.04 N ATOM 979 CD2 HIS A 544 16.273 -16.074 5.078 1.00 43.32 C ATOM 980 CE1 HIS A 544 15.784 -14.462 3.674 1.00 62.53 C ATOM 981 NE2 HIS A 544 16.781 -15.163 4.184 1.00 11.12 N ATOM 0 H HIS A 544 12.329 -17.119 4.006 1.00 14.32 H new ATOM 0 HA HIS A 544 14.548 -18.515 5.133 1.00 13.11 H new ATOM 0 HB2 HIS A 544 12.943 -16.046 5.827 1.00 3.40 H new ATOM 0 HB3 HIS A 544 14.162 -16.653 6.930 1.00 3.40 H new ATOM 0 HD2 HIS A 544 16.840 -16.789 5.656 1.00 43.32 H new ATOM 0 HE1 HIS A 544 15.876 -13.672 2.944 1.00 62.53 H new ATOM 0 HE2 HIS A 544 17.767 -15.047 3.952 1.00 11.12 H new ATOM 989 N PHE A 545 11.713 -18.495 6.851 1.00 61.34 N ATOM 990 CA PHE A 545 10.977 -19.191 7.899 1.00 33.42 C ATOM 991 C PHE A 545 10.216 -20.385 7.329 1.00 22.11 C ATOM 992 O PHE A 545 9.043 -20.595 7.640 1.00 62.33 O ATOM 993 CB PHE A 545 10.003 -18.234 8.589 1.00 34.22 C ATOM 994 CG PHE A 545 10.640 -17.402 9.665 1.00 65.30 C ATOM 995 CD1 PHE A 545 10.187 -17.471 10.973 1.00 64.05 C ATOM 996 CD2 PHE A 545 11.693 -16.551 9.368 1.00 31.34 C ATOM 997 CE1 PHE A 545 10.772 -16.707 11.965 1.00 64.20 C ATOM 998 CE2 PHE A 545 12.282 -15.785 10.357 1.00 61.54 C ATOM 999 CZ PHE A 545 11.820 -15.863 11.656 1.00 5.52 C ATOM 0 H PHE A 545 11.205 -17.722 6.421 1.00 61.34 H new ATOM 0 HA PHE A 545 11.697 -19.557 8.631 1.00 33.42 H new ATOM 0 HB2 PHE A 545 9.565 -17.573 7.841 1.00 34.22 H new ATOM 0 HB3 PHE A 545 9.186 -18.810 9.023 1.00 34.22 H new ATOM 0 HD1 PHE A 545 9.367 -18.129 11.220 1.00 64.05 H new ATOM 0 HD2 PHE A 545 12.057 -16.486 8.353 1.00 31.34 H new ATOM 0 HE1 PHE A 545 10.410 -16.770 12.981 1.00 64.20 H new ATOM 0 HE2 PHE A 545 13.103 -15.126 10.114 1.00 61.54 H new ATOM 0 HZ PHE A 545 12.278 -15.264 12.429 1.00 5.52 H new ATOM 1009 N THR A 546 10.893 -21.165 6.492 1.00 72.23 N ATOM 1010 CA THR A 546 10.282 -22.337 5.876 1.00 2.41 C ATOM 1011 C THR A 546 10.206 -23.498 6.860 1.00 32.04 C ATOM 1012 O THR A 546 9.307 -24.336 6.778 1.00 2.42 O ATOM 1013 CB THR A 546 11.064 -22.787 4.628 1.00 61.12 C ATOM 1014 OG1 THR A 546 10.290 -23.730 3.878 1.00 14.14 O ATOM 1015 CG2 THR A 546 12.394 -23.413 5.019 1.00 23.01 C ATOM 0 H THR A 546 11.865 -21.006 6.225 1.00 72.23 H new ATOM 0 HA THR A 546 9.273 -22.049 5.580 1.00 2.41 H new ATOM 0 HB THR A 546 11.260 -21.908 4.014 1.00 61.12 H new ATOM 0 HG1 THR A 546 10.794 -24.010 3.085 1.00 14.14 H new ATOM 0 HG21 THR A 546 12.928 -23.723 4.121 1.00 23.01 H new ATOM 0 HG22 THR A 546 12.993 -22.684 5.564 1.00 23.01 H new ATOM 0 HG23 THR A 546 12.215 -24.282 5.653 1.00 23.01 H new ATOM 1023 N ARG A 547 11.153 -23.542 7.791 1.00 23.03 N ATOM 1024 CA ARG A 547 11.193 -24.602 8.792 1.00 51.14 C ATOM 1025 C ARG A 547 10.867 -24.054 10.178 1.00 44.41 C ATOM 1026 O ARG A 547 10.453 -24.795 11.070 1.00 53.23 O ATOM 1027 CB ARG A 547 12.570 -25.268 8.805 1.00 30.14 C ATOM 1028 CG ARG A 547 13.662 -24.396 9.402 1.00 24.25 C ATOM 1029 CD ARG A 547 13.992 -24.813 10.827 1.00 34.23 C ATOM 1030 NE ARG A 547 15.294 -24.312 11.257 1.00 10.44 N ATOM 1031 CZ ARG A 547 15.662 -24.219 12.530 1.00 10.14 C ATOM 1032 NH1 ARG A 547 14.830 -24.592 13.493 1.00 24.42 N ATOM 1033 NH2 ARG A 547 16.864 -23.752 12.842 1.00 23.35 N ATOM 0 H ARG A 547 11.903 -22.856 7.873 1.00 23.03 H new ATOM 0 HA ARG A 547 10.440 -25.345 8.529 1.00 51.14 H new ATOM 0 HB2 ARG A 547 12.509 -26.198 9.371 1.00 30.14 H new ATOM 0 HB3 ARG A 547 12.846 -25.533 7.784 1.00 30.14 H new ATOM 0 HG2 ARG A 547 14.559 -24.461 8.786 1.00 24.25 H new ATOM 0 HG3 ARG A 547 13.343 -23.354 9.391 1.00 24.25 H new ATOM 0 HD2 ARG A 547 13.220 -24.442 11.501 1.00 34.23 H new ATOM 0 HD3 ARG A 547 13.981 -25.901 10.898 1.00 34.23 H new ATOM 0 HE ARG A 547 15.958 -24.017 10.541 1.00 10.44 H new ATOM 0 HH11 ARG A 547 13.905 -24.951 13.257 1.00 24.42 H new ATOM 0 HH12 ARG A 547 15.115 -24.520 14.470 1.00 24.42 H new ATOM 0 HH21 ARG A 547 17.507 -23.464 12.104 1.00 23.35 H new ATOM 0 HH22 ARG A 547 17.146 -23.681 13.820 1.00 23.35 H new ATOM 1047 N THR A 548 11.059 -22.750 10.353 1.00 53.41 N ATOM 1048 CA THR A 548 10.788 -22.102 11.630 1.00 15.00 C ATOM 1049 C THR A 548 9.539 -21.231 11.551 1.00 72.32 C ATOM 1050 O THR A 548 9.429 -20.364 10.683 1.00 21.44 O ATOM 1051 CB THR A 548 11.977 -21.234 12.084 1.00 73.34 C ATOM 1052 OG1 THR A 548 13.151 -22.043 12.217 1.00 73.23 O ATOM 1053 CG2 THR A 548 11.673 -20.550 13.408 1.00 62.11 C ATOM 0 H THR A 548 11.401 -22.122 9.626 1.00 53.41 H new ATOM 0 HA THR A 548 10.628 -22.896 12.359 1.00 15.00 H new ATOM 0 HB THR A 548 12.149 -20.467 11.329 1.00 73.34 H new ATOM 0 HG1 THR A 548 13.903 -21.484 12.504 1.00 73.23 H new ATOM 0 HG21 THR A 548 12.527 -19.943 13.708 1.00 62.11 H new ATOM 0 HG22 THR A 548 10.796 -19.912 13.295 1.00 62.11 H new ATOM 0 HG23 THR A 548 11.478 -21.304 14.171 1.00 62.11 H new ATOM 1061 N ARG A 549 8.600 -21.467 12.461 1.00 10.14 N ATOM 1062 CA ARG A 549 7.358 -20.704 12.494 1.00 42.33 C ATOM 1063 C ARG A 549 6.819 -20.603 13.918 1.00 72.05 C ATOM 1064 O ARG A 549 7.384 -21.178 14.848 1.00 63.10 O ATOM 1065 CB ARG A 549 6.312 -21.352 11.585 1.00 22.43 C ATOM 1066 CG ARG A 549 6.531 -21.073 10.107 1.00 2.55 C ATOM 1067 CD ARG A 549 7.049 -22.303 9.378 1.00 13.52 C ATOM 1068 NE ARG A 549 6.005 -23.306 9.189 1.00 32.21 N ATOM 1069 CZ ARG A 549 6.253 -24.591 8.962 1.00 64.24 C ATOM 1070 NH1 ARG A 549 7.504 -25.026 8.896 1.00 61.32 N ATOM 1071 NH2 ARG A 549 5.250 -25.444 8.800 1.00 53.20 N ATOM 0 H ARG A 549 8.676 -22.181 13.186 1.00 10.14 H new ATOM 0 HA ARG A 549 7.570 -19.698 12.133 1.00 42.33 H new ATOM 0 HB2 ARG A 549 6.320 -22.430 11.747 1.00 22.43 H new ATOM 0 HB3 ARG A 549 5.323 -20.994 11.871 1.00 22.43 H new ATOM 0 HG2 ARG A 549 5.594 -20.748 9.654 1.00 2.55 H new ATOM 0 HG3 ARG A 549 7.241 -20.254 9.992 1.00 2.55 H new ATOM 0 HD2 ARG A 549 7.448 -22.008 8.408 1.00 13.52 H new ATOM 0 HD3 ARG A 549 7.873 -22.739 9.943 1.00 13.52 H new ATOM 0 HE ARG A 549 5.032 -23.003 9.234 1.00 32.21 H new ATOM 0 HH11 ARG A 549 8.278 -24.373 9.020 1.00 61.32 H new ATOM 0 HH12 ARG A 549 7.692 -26.013 8.722 1.00 61.32 H new ATOM 0 HH21 ARG A 549 4.286 -25.113 8.850 1.00 53.20 H new ATOM 0 HH22 ARG A 549 5.442 -26.430 8.626 1.00 53.20 H new ATOM 1085 N ILE A 550 5.723 -19.869 14.079 1.00 2.20 N ATOM 1086 CA ILE A 550 5.108 -19.694 15.389 1.00 52.43 C ATOM 1087 C ILE A 550 3.729 -19.054 15.267 1.00 73.40 C ATOM 1088 O ILE A 550 3.250 -18.790 14.163 1.00 32.33 O ATOM 1089 CB ILE A 550 5.984 -18.826 16.311 1.00 41.51 C ATOM 1090 CG1 ILE A 550 5.735 -19.187 17.776 1.00 34.35 C ATOM 1091 CG2 ILE A 550 5.707 -17.349 16.069 1.00 34.34 C ATOM 1092 CD1 ILE A 550 7.002 -19.303 18.594 1.00 12.04 C ATOM 0 H ILE A 550 5.243 -19.386 13.319 1.00 2.20 H new ATOM 0 HA ILE A 550 5.008 -20.688 15.826 1.00 52.43 H new ATOM 0 HB ILE A 550 7.031 -19.022 16.081 1.00 41.51 H new ATOM 0 HG12 ILE A 550 5.091 -18.430 18.224 1.00 34.35 H new ATOM 0 HG13 ILE A 550 5.195 -20.133 17.822 1.00 34.35 H new ATOM 0 HG21 ILE A 550 6.334 -16.748 16.728 1.00 34.34 H new ATOM 0 HG22 ILE A 550 5.931 -17.102 15.031 1.00 34.34 H new ATOM 0 HG23 ILE A 550 4.658 -17.137 16.274 1.00 34.34 H new ATOM 0 HD11 ILE A 550 6.749 -19.561 19.622 1.00 12.04 H new ATOM 0 HD12 ILE A 550 7.638 -20.080 18.171 1.00 12.04 H new ATOM 0 HD13 ILE A 550 7.533 -18.351 18.579 1.00 12.04 H new ATOM 1104 N LEU A 551 3.095 -18.806 16.408 1.00 62.21 N ATOM 1105 CA LEU A 551 1.771 -18.195 16.430 1.00 34.33 C ATOM 1106 C LEU A 551 1.636 -17.146 15.332 1.00 44.23 C ATOM 1107 O LEU A 551 0.607 -17.060 14.664 1.00 33.20 O ATOM 1108 CB LEU A 551 1.504 -17.558 17.795 1.00 22.33 C ATOM 1109 CG LEU A 551 2.365 -16.345 18.149 1.00 13.11 C ATOM 1110 CD1 LEU A 551 1.679 -15.059 17.714 1.00 31.11 C ATOM 1111 CD2 LEU A 551 2.658 -16.316 19.642 1.00 21.30 C ATOM 0 H LEU A 551 3.477 -19.019 17.330 1.00 62.21 H new ATOM 0 HA LEU A 551 1.034 -18.978 16.251 1.00 34.33 H new ATOM 0 HB2 LEU A 551 0.457 -17.259 17.836 1.00 22.33 H new ATOM 0 HB3 LEU A 551 1.649 -18.318 18.563 1.00 22.33 H new ATOM 0 HG LEU A 551 3.312 -16.427 17.615 1.00 13.11 H new ATOM 0 HD11 LEU A 551 2.306 -14.206 17.974 1.00 31.11 H new ATOM 0 HD12 LEU A 551 1.521 -15.078 16.636 1.00 31.11 H new ATOM 0 HD13 LEU A 551 0.718 -14.970 18.220 1.00 31.11 H new ATOM 0 HD21 LEU A 551 3.272 -15.446 19.875 1.00 21.30 H new ATOM 0 HD22 LEU A 551 1.721 -16.258 20.196 1.00 21.30 H new ATOM 0 HD23 LEU A 551 3.192 -17.223 19.926 1.00 21.30 H new ATOM 1123 N ASN A 552 2.685 -16.350 15.149 1.00 64.41 N ATOM 1124 CA ASN A 552 2.685 -15.307 14.130 1.00 63.23 C ATOM 1125 C ASN A 552 2.963 -15.895 12.750 1.00 71.15 C ATOM 1126 O ASN A 552 2.128 -15.813 11.848 1.00 65.21 O ATOM 1127 CB ASN A 552 3.731 -14.241 14.462 1.00 53.42 C ATOM 1128 CG ASN A 552 3.778 -13.135 13.425 1.00 0.21 C ATOM 1129 OD1 ASN A 552 2.609 -12.648 13.026 1.00 62.21 O flip ATOM 1130 ND2 ASN A 552 4.853 -12.723 12.989 1.00 72.02 N flip ATOM 0 H ASN A 552 3.546 -16.408 15.693 1.00 64.41 H new ATOM 0 HA ASN A 552 1.697 -14.846 14.117 1.00 63.23 H new ATOM 0 HB2 ASN A 552 3.510 -13.811 15.439 1.00 53.42 H new ATOM 0 HB3 ASN A 552 4.713 -14.709 14.535 1.00 53.42 H new ATOM 0 HD21 ASN A 552 5.728 -13.127 13.324 1.00 72.02 H new ATOM 0 HD22 ASN A 552 4.869 -11.978 12.293 1.00 72.02 H new ATOM 1137 N LYS A 553 4.141 -16.489 12.592 1.00 40.14 N ATOM 1138 CA LYS A 553 4.530 -17.093 11.323 1.00 71.02 C ATOM 1139 C LYS A 553 3.562 -18.205 10.930 1.00 24.15 C ATOM 1140 O LYS A 553 2.798 -18.714 11.751 1.00 42.12 O ATOM 1141 CB LYS A 553 5.953 -17.649 11.414 1.00 33.11 C ATOM 1142 CG LYS A 553 6.884 -16.801 12.262 1.00 1.25 C ATOM 1143 CD LYS A 553 6.870 -15.347 11.822 1.00 44.42 C ATOM 1144 CE LYS A 553 7.295 -15.201 10.369 1.00 50.45 C ATOM 1145 NZ LYS A 553 7.283 -13.778 9.927 1.00 21.35 N ATOM 0 H LYS A 553 4.843 -16.565 13.328 1.00 40.14 H new ATOM 0 HA LYS A 553 4.497 -16.319 10.556 1.00 71.02 H new ATOM 0 HB2 LYS A 553 5.915 -18.657 11.828 1.00 33.11 H new ATOM 0 HB3 LYS A 553 6.366 -17.733 10.409 1.00 33.11 H new ATOM 0 HG2 LYS A 553 6.587 -16.868 13.309 1.00 1.25 H new ATOM 0 HG3 LYS A 553 7.899 -17.193 12.193 1.00 1.25 H new ATOM 0 HD2 LYS A 553 5.869 -14.936 11.953 1.00 44.42 H new ATOM 0 HD3 LYS A 553 7.539 -14.767 12.458 1.00 44.42 H new ATOM 0 HE2 LYS A 553 8.296 -15.613 10.240 1.00 50.45 H new ATOM 0 HE3 LYS A 553 6.627 -15.784 9.735 1.00 50.45 H new ATOM 0 HZ1 LYS A 553 7.796 -13.690 9.026 1.00 21.35 H new ATOM 0 HZ2 LYS A 553 6.300 -13.463 9.798 1.00 21.35 H new ATOM 0 HZ3 LYS A 553 7.745 -13.187 10.647 1.00 21.35 H new ATOM 1159 N PRO A 554 3.595 -18.594 9.647 1.00 10.41 N ATOM 1160 CA PRO A 554 2.728 -19.651 9.118 1.00 45.12 C ATOM 1161 C PRO A 554 3.107 -21.030 9.647 1.00 44.11 C ATOM 1162 O PRO A 554 3.715 -21.831 8.938 1.00 63.31 O ATOM 1163 CB PRO A 554 2.960 -19.576 7.607 1.00 51.24 C ATOM 1164 CG PRO A 554 4.318 -18.982 7.460 1.00 2.34 C ATOM 1165 CD PRO A 554 4.481 -18.031 8.614 1.00 54.11 C ATOM 0 HA PRO A 554 1.688 -19.510 9.411 1.00 45.12 H new ATOM 0 HB2 PRO A 554 2.909 -20.564 7.149 1.00 51.24 H new ATOM 0 HB3 PRO A 554 2.204 -18.960 7.121 1.00 51.24 H new ATOM 0 HG2 PRO A 554 5.086 -19.755 7.480 1.00 2.34 H new ATOM 0 HG3 PRO A 554 4.415 -18.460 6.508 1.00 2.34 H new ATOM 0 HD2 PRO A 554 5.516 -17.985 8.954 1.00 54.11 H new ATOM 0 HD3 PRO A 554 4.189 -17.016 8.343 1.00 54.11 H new ATOM 1173 N MET A 555 2.744 -21.300 10.896 1.00 11.34 N ATOM 1174 CA MET A 555 3.045 -22.584 11.519 1.00 11.52 C ATOM 1175 C MET A 555 2.273 -23.711 10.841 1.00 63.00 C ATOM 1176 O MET A 555 2.851 -24.727 10.456 1.00 12.22 O ATOM 1177 CB MET A 555 2.706 -22.543 13.011 1.00 60.04 C ATOM 1178 CG MET A 555 2.752 -23.906 13.681 1.00 33.34 C ATOM 1179 SD MET A 555 4.403 -24.630 13.672 1.00 21.10 S ATOM 1180 CE MET A 555 4.396 -25.509 15.232 1.00 22.35 C ATOM 0 H MET A 555 2.241 -20.647 11.497 1.00 11.34 H new ATOM 0 HA MET A 555 4.111 -22.776 11.401 1.00 11.52 H new ATOM 0 HB2 MET A 555 3.404 -21.875 13.516 1.00 60.04 H new ATOM 0 HB3 MET A 555 1.710 -22.118 13.138 1.00 60.04 H new ATOM 0 HG2 MET A 555 2.406 -23.812 14.711 1.00 33.34 H new ATOM 0 HG3 MET A 555 2.062 -24.579 13.173 1.00 33.34 H new ATOM 0 HE1 MET A 555 5.354 -26.011 15.371 1.00 22.35 H new ATOM 0 HE2 MET A 555 4.234 -24.803 16.047 1.00 22.35 H new ATOM 0 HE3 MET A 555 3.596 -26.249 15.229 1.00 22.35 H new ATOM 1190 N ASN A 556 0.965 -23.524 10.698 1.00 21.52 N ATOM 1191 CA ASN A 556 0.114 -24.527 10.067 1.00 45.00 C ATOM 1192 C ASN A 556 -1.099 -23.876 9.411 1.00 13.53 C ATOM 1193 O ASN A 556 -2.239 -24.255 9.678 1.00 54.33 O ATOM 1194 CB ASN A 556 -0.342 -25.561 11.098 1.00 14.22 C ATOM 1195 CG ASN A 556 -0.821 -26.848 10.454 1.00 0.50 C ATOM 1196 OD1 ASN A 556 -1.962 -27.267 10.651 1.00 4.33 O ATOM 1197 ND2 ASN A 556 0.052 -27.481 9.679 1.00 75.11 N ATOM 0 H ASN A 556 0.471 -22.688 11.010 1.00 21.52 H new ATOM 0 HA ASN A 556 0.697 -25.028 9.294 1.00 45.00 H new ATOM 0 HB2 ASN A 556 0.483 -25.782 11.776 1.00 14.22 H new ATOM 0 HB3 ASN A 556 -1.146 -25.139 11.701 1.00 14.22 H new ATOM 0 HD21 ASN A 556 -0.213 -28.352 9.218 1.00 75.11 H new ATOM 0 HD22 ASN A 556 0.987 -27.096 9.544 1.00 75.11 H new ATOM 1204 N MET A 557 -0.845 -22.894 8.552 1.00 13.23 N ATOM 1205 CA MET A 557 -1.917 -22.191 7.857 1.00 53.20 C ATOM 1206 C MET A 557 -2.104 -22.742 6.447 1.00 44.01 C ATOM 1207 O MET A 557 -1.426 -23.688 6.047 1.00 61.11 O ATOM 1208 CB MET A 557 -1.617 -20.692 7.796 1.00 54.12 C ATOM 1209 CG MET A 557 -0.329 -20.359 7.061 1.00 70.42 C ATOM 1210 SD MET A 557 -0.405 -18.772 6.209 1.00 10.23 S ATOM 1211 CE MET A 557 -0.375 -17.641 7.598 1.00 61.00 C ATOM 0 H MET A 557 0.093 -22.567 8.321 1.00 13.23 H new ATOM 0 HA MET A 557 -2.841 -22.347 8.414 1.00 53.20 H new ATOM 0 HB2 MET A 557 -2.447 -20.183 7.306 1.00 54.12 H new ATOM 0 HB3 MET A 557 -1.558 -20.300 8.811 1.00 54.12 H new ATOM 0 HG2 MET A 557 0.497 -20.346 7.772 1.00 70.42 H new ATOM 0 HG3 MET A 557 -0.115 -21.145 6.337 1.00 70.42 H new ATOM 0 HE1 MET A 557 0.087 -16.702 7.293 1.00 61.00 H new ATOM 0 HE2 MET A 557 -1.394 -17.451 7.935 1.00 61.00 H new ATOM 0 HE3 MET A 557 0.200 -18.081 8.413 1.00 61.00 H new ATOM 1221 N GLN A 558 -3.026 -22.144 5.700 1.00 61.13 N ATOM 1222 CA GLN A 558 -3.301 -22.577 4.335 1.00 61.12 C ATOM 1223 C GLN A 558 -4.042 -21.493 3.559 1.00 64.14 C ATOM 1224 O GLN A 558 -4.918 -20.817 4.099 1.00 42.41 O ATOM 1225 CB GLN A 558 -4.123 -23.867 4.342 1.00 25.33 C ATOM 1226 CG GLN A 558 -5.586 -23.654 4.692 1.00 34.44 C ATOM 1227 CD GLN A 558 -6.344 -24.958 4.853 1.00 5.14 C ATOM 1228 OE1 GLN A 558 -5.842 -26.027 4.506 1.00 72.44 O ATOM 1229 NE2 GLN A 558 -7.558 -24.876 5.383 1.00 13.43 N ATOM 0 H GLN A 558 -3.595 -21.359 6.017 1.00 61.13 H new ATOM 0 HA GLN A 558 -2.347 -22.765 3.842 1.00 61.12 H new ATOM 0 HB2 GLN A 558 -4.057 -24.335 3.360 1.00 25.33 H new ATOM 0 HB3 GLN A 558 -3.685 -24.563 5.057 1.00 25.33 H new ATOM 0 HG2 GLN A 558 -5.655 -23.082 5.617 1.00 34.44 H new ATOM 0 HG3 GLN A 558 -6.059 -23.057 3.912 1.00 34.44 H new ATOM 0 HE21 GLN A 558 -7.935 -23.968 5.656 1.00 13.43 H new ATOM 0 HE22 GLN A 558 -8.114 -25.721 5.517 1.00 13.43 H new ATOM 1238 N LEU A 559 -3.684 -21.333 2.289 1.00 13.43 N ATOM 1239 CA LEU A 559 -4.315 -20.330 1.438 1.00 51.12 C ATOM 1240 C LEU A 559 -5.735 -20.745 1.068 1.00 74.31 C ATOM 1241 O LEU A 559 -5.952 -21.816 0.499 1.00 34.23 O ATOM 1242 CB LEU A 559 -3.487 -20.116 0.169 1.00 14.13 C ATOM 1243 CG LEU A 559 -3.990 -19.032 -0.785 1.00 5.43 C ATOM 1244 CD1 LEU A 559 -5.117 -19.566 -1.654 1.00 15.23 C ATOM 1245 CD2 LEU A 559 -4.448 -17.807 -0.006 1.00 44.24 C ATOM 0 H LEU A 559 -2.961 -21.884 1.827 1.00 13.43 H new ATOM 0 HA LEU A 559 -4.363 -19.395 1.995 1.00 51.12 H new ATOM 0 HB2 LEU A 559 -2.467 -19.869 0.462 1.00 14.13 H new ATOM 0 HB3 LEU A 559 -3.443 -21.059 -0.375 1.00 14.13 H new ATOM 0 HG LEU A 559 -3.167 -18.737 -1.436 1.00 5.43 H new ATOM 0 HD11 LEU A 559 -5.462 -18.780 -2.326 1.00 15.23 H new ATOM 0 HD12 LEU A 559 -4.756 -20.412 -2.239 1.00 15.23 H new ATOM 0 HD13 LEU A 559 -5.943 -19.890 -1.020 1.00 15.23 H new ATOM 0 HD21 LEU A 559 -4.803 -17.046 -0.701 1.00 44.24 H new ATOM 0 HD22 LEU A 559 -5.256 -18.087 0.670 1.00 44.24 H new ATOM 0 HD23 LEU A 559 -3.613 -17.410 0.572 1.00 44.24 H new ATOM 1257 N LEU A 560 -6.699 -19.891 1.392 1.00 14.32 N ATOM 1258 CA LEU A 560 -8.100 -20.167 1.092 1.00 61.40 C ATOM 1259 C LEU A 560 -8.679 -19.102 0.167 1.00 13.10 C ATOM 1260 O LEU A 560 -9.584 -19.375 -0.621 1.00 0.51 O ATOM 1261 CB LEU A 560 -8.915 -20.235 2.385 1.00 72.05 C ATOM 1262 CG LEU A 560 -9.383 -18.895 2.954 1.00 73.32 C ATOM 1263 CD1 LEU A 560 -10.766 -18.545 2.426 1.00 44.44 C ATOM 1264 CD2 LEU A 560 -9.386 -18.934 4.475 1.00 5.30 C ATOM 0 H LEU A 560 -6.536 -19.001 1.863 1.00 14.32 H new ATOM 0 HA LEU A 560 -8.155 -21.130 0.585 1.00 61.40 H new ATOM 0 HB2 LEU A 560 -9.792 -20.857 2.206 1.00 72.05 H new ATOM 0 HB3 LEU A 560 -8.316 -20.739 3.143 1.00 72.05 H new ATOM 0 HG LEU A 560 -8.686 -18.121 2.631 1.00 73.32 H new ATOM 0 HD11 LEU A 560 -11.083 -17.588 2.842 1.00 44.44 H new ATOM 0 HD12 LEU A 560 -10.733 -18.475 1.339 1.00 44.44 H new ATOM 0 HD13 LEU A 560 -11.474 -19.320 2.719 1.00 44.44 H new ATOM 0 HD21 LEU A 560 -9.722 -17.972 4.863 1.00 5.30 H new ATOM 0 HD22 LEU A 560 -10.060 -19.719 4.818 1.00 5.30 H new ATOM 0 HD23 LEU A 560 -8.378 -19.139 4.836 1.00 5.30 H new ATOM 1276 N GLY A 561 -8.150 -17.886 0.267 1.00 24.45 N ATOM 1277 CA GLY A 561 -8.625 -16.799 -0.567 1.00 50.32 C ATOM 1278 C GLY A 561 -7.883 -16.713 -1.886 1.00 72.13 C ATOM 1279 O GLY A 561 -7.211 -17.662 -2.291 1.00 2.22 O ATOM 0 H GLY A 561 -7.400 -17.635 0.912 1.00 24.45 H new ATOM 0 HA2 GLY A 561 -9.689 -16.932 -0.761 1.00 50.32 H new ATOM 0 HA3 GLY A 561 -8.514 -15.857 -0.029 1.00 50.32 H new ATOM 1283 N ASP A 562 -8.006 -15.575 -2.560 1.00 14.34 N ATOM 1284 CA ASP A 562 -7.342 -15.369 -3.842 1.00 14.14 C ATOM 1285 C ASP A 562 -7.176 -13.881 -4.135 1.00 24.14 C ATOM 1286 O ASP A 562 -7.945 -13.053 -3.648 1.00 43.33 O ATOM 1287 CB ASP A 562 -8.137 -16.037 -4.965 1.00 14.52 C ATOM 1288 CG ASP A 562 -7.285 -16.324 -6.186 1.00 15.54 C ATOM 1289 OD1 ASP A 562 -6.383 -17.181 -6.090 1.00 43.13 O ATOM 1290 OD2 ASP A 562 -7.521 -15.690 -7.236 1.00 61.21 O ATOM 0 H ASP A 562 -8.560 -14.780 -2.240 1.00 14.34 H new ATOM 0 HA ASP A 562 -6.352 -15.823 -3.788 1.00 14.14 H new ATOM 0 HB2 ASP A 562 -8.566 -16.969 -4.598 1.00 14.52 H new ATOM 0 HB3 ASP A 562 -8.969 -15.393 -5.250 1.00 14.52 H new ATOM 1295 N ALA A 563 -6.165 -13.550 -4.932 1.00 10.23 N ATOM 1296 CA ALA A 563 -5.898 -12.162 -5.290 1.00 22.50 C ATOM 1297 C ALA A 563 -7.008 -11.599 -6.170 1.00 74.11 C ATOM 1298 O ALA A 563 -7.323 -12.157 -7.221 1.00 23.42 O ATOM 1299 CB ALA A 563 -4.554 -12.049 -5.995 1.00 12.22 C ATOM 0 H ALA A 563 -5.518 -14.224 -5.342 1.00 10.23 H new ATOM 0 HA ALA A 563 -5.865 -11.575 -4.372 1.00 22.50 H new ATOM 0 HB1 ALA A 563 -4.367 -11.008 -6.257 1.00 12.22 H new ATOM 0 HB2 ALA A 563 -3.765 -12.404 -5.332 1.00 12.22 H new ATOM 0 HB3 ALA A 563 -4.567 -12.654 -6.901 1.00 12.22 H new ATOM 1305 N GLN A 564 -7.599 -10.491 -5.734 1.00 24.25 N ATOM 1306 CA GLN A 564 -8.675 -9.854 -6.482 1.00 54.02 C ATOM 1307 C GLN A 564 -8.227 -9.517 -7.900 1.00 40.24 C ATOM 1308 O GLN A 564 -8.772 -8.614 -8.537 1.00 60.52 O ATOM 1309 CB GLN A 564 -9.141 -8.585 -5.767 1.00 10.25 C ATOM 1310 CG GLN A 564 -10.613 -8.271 -5.980 1.00 41.15 C ATOM 1311 CD GLN A 564 -11.527 -9.239 -5.256 1.00 74.24 C ATOM 1312 OE1 GLN A 564 -11.319 -9.548 -4.083 1.00 33.12 O ATOM 1313 NE2 GLN A 564 -12.548 -9.724 -5.954 1.00 61.30 N ATOM 0 H GLN A 564 -7.350 -10.016 -4.866 1.00 24.25 H new ATOM 0 HA GLN A 564 -9.507 -10.556 -6.540 1.00 54.02 H new ATOM 0 HB2 GLN A 564 -8.952 -8.690 -4.699 1.00 10.25 H new ATOM 0 HB3 GLN A 564 -8.544 -7.742 -6.115 1.00 10.25 H new ATOM 0 HG2 GLN A 564 -10.818 -7.257 -5.636 1.00 41.15 H new ATOM 0 HG3 GLN A 564 -10.835 -8.296 -7.047 1.00 41.15 H new ATOM 0 HE21 GLN A 564 -12.683 -9.440 -6.924 1.00 61.30 H new ATOM 0 HE22 GLN A 564 -13.197 -10.380 -5.519 1.00 61.30 H new TER 1322 GLN A 564