USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 165 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: A1490 MET CE :methyl 166:sc= -9.32! (180deg=-11.8!) USER MOD Set 1.2: A1498 TYR OH : rot 180:sc= 0 USER MOD Single : A1486 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1491 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A1494 GLN : amide:sc= -0.574 K(o=-0.57,f=-2.8) USER MOD Single : A1495 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1496 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1497 TYR OH : rot 180:sc= 0 USER MOD Single : A1499 ASN : amide:sc= -4.34 K(o=-4.3,f=-8.3!) USER MOD Single : A1501 MET CE :methyl 151:sc= -8.77! (180deg=-11.2!) USER MOD Single : A1502 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1503 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1506 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A1486 1.974 -4.401 8.314 1.00 0.00 N ATOM 2 CA GLN A1486 3.163 -3.544 7.954 1.00 0.00 C ATOM 3 C GLN A1486 4.348 -4.392 7.475 1.00 0.00 C ATOM 4 O GLN A1486 5.181 -4.812 8.255 1.00 0.00 O ATOM 5 CB GLN A1486 3.588 -2.677 9.154 1.00 0.00 C ATOM 6 CG GLN A1486 3.691 -3.516 10.431 1.00 0.00 C ATOM 7 CD GLN A1486 4.236 -2.649 11.567 1.00 0.00 C ATOM 8 OE1 GLN A1486 3.492 -1.945 12.220 1.00 0.00 O ATOM 9 NE2 GLN A1486 5.514 -2.669 11.832 1.00 0.00 N ATOM 0 HA GLN A1486 2.860 -2.895 7.133 1.00 0.00 H new ATOM 0 HB2 GLN A1486 4.549 -2.207 8.945 1.00 0.00 H new ATOM 0 HB3 GLN A1486 2.866 -1.874 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A1486 2.711 -3.912 10.699 1.00 0.00 H new ATOM 0 HG3 GLN A1486 4.346 -4.371 10.265 1.00 0.00 H new ATOM 0 HE21 GLN A1486 6.139 -3.260 11.284 1.00 0.00 H new ATOM 0 HE22 GLN A1486 5.887 -2.094 12.587 1.00 0.00 H new ATOM 16 N ASP A1487 4.426 -4.637 6.191 1.00 0.00 N ATOM 17 CA ASP A1487 5.554 -5.449 5.642 1.00 0.00 C ATOM 18 C ASP A1487 6.878 -4.737 5.943 1.00 0.00 C ATOM 19 O ASP A1487 6.937 -3.853 6.779 1.00 0.00 O ATOM 20 CB ASP A1487 5.374 -5.602 4.123 1.00 0.00 C ATOM 21 CG ASP A1487 5.185 -7.080 3.767 1.00 0.00 C ATOM 22 OD1 ASP A1487 4.159 -7.630 4.135 1.00 0.00 O ATOM 23 OD2 ASP A1487 6.068 -7.634 3.134 1.00 0.00 O ATOM 0 H ASP A1487 3.754 -4.308 5.497 1.00 0.00 H new ATOM 0 HA ASP A1487 5.563 -6.436 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A1487 4.511 -5.025 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A1487 6.244 -5.202 3.603 1.00 0.00 H new ATOM 28 N ILE A1488 7.936 -5.112 5.272 1.00 0.00 N ATOM 29 CA ILE A1488 9.249 -4.454 5.526 1.00 0.00 C ATOM 30 C ILE A1488 9.508 -3.375 4.469 1.00 0.00 C ATOM 31 O ILE A1488 10.640 -3.042 4.174 1.00 0.00 O ATOM 32 CB ILE A1488 10.362 -5.514 5.508 1.00 0.00 C ATOM 33 CG1 ILE A1488 11.688 -4.868 5.911 1.00 0.00 C ATOM 34 CG2 ILE A1488 10.500 -6.129 4.110 1.00 0.00 C ATOM 35 CD1 ILE A1488 12.603 -5.924 6.532 1.00 0.00 C ATOM 0 H ILE A1488 7.946 -5.844 4.561 1.00 0.00 H new ATOM 0 HA ILE A1488 9.235 -3.975 6.505 1.00 0.00 H new ATOM 0 HB ILE A1488 10.103 -6.303 6.214 1.00 0.00 H new ATOM 0 HG12 ILE A1488 12.168 -4.423 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A1488 11.510 -4.062 6.623 1.00 0.00 H new ATOM 0 HG21 ILE A1488 11.293 -6.877 4.118 1.00 0.00 H new ATOM 0 HG22 ILE A1488 9.559 -6.601 3.825 1.00 0.00 H new ATOM 0 HG23 ILE A1488 10.746 -5.347 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A1488 13.548 -5.463 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A1488 12.123 -6.348 7.414 1.00 0.00 H new ATOM 0 HD13 ILE A1488 12.791 -6.715 5.806 1.00 0.00 H new ATOM 42 N PHE A1489 8.461 -2.819 3.917 1.00 0.00 N ATOM 43 CA PHE A1489 8.623 -1.746 2.886 1.00 0.00 C ATOM 44 C PHE A1489 7.242 -1.273 2.406 1.00 0.00 C ATOM 45 O PHE A1489 6.347 -2.068 2.190 1.00 0.00 O ATOM 46 CB PHE A1489 9.434 -2.279 1.685 1.00 0.00 C ATOM 47 CG PHE A1489 8.663 -3.361 0.954 1.00 0.00 C ATOM 48 CD1 PHE A1489 8.732 -4.691 1.386 1.00 0.00 C ATOM 49 CD2 PHE A1489 7.880 -3.025 -0.156 1.00 0.00 C ATOM 50 CE1 PHE A1489 8.016 -5.684 0.705 1.00 0.00 C ATOM 51 CE2 PHE A1489 7.166 -4.015 -0.836 1.00 0.00 C ATOM 52 CZ PHE A1489 7.233 -5.346 -0.406 1.00 0.00 C ATOM 0 H PHE A1489 7.495 -3.062 4.136 1.00 0.00 H new ATOM 0 HA PHE A1489 9.158 -0.908 3.332 1.00 0.00 H new ATOM 0 HB2 PHE A1489 9.660 -1.461 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A1489 10.388 -2.677 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A1489 9.336 -4.951 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A1489 7.827 -1.999 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A1489 8.068 -6.710 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A1489 6.563 -3.754 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A1489 6.681 -6.112 -0.931 1.00 0.00 H new ATOM 62 N MET A1490 7.077 0.011 2.221 1.00 0.00 N ATOM 63 CA MET A1490 5.772 0.541 1.734 1.00 0.00 C ATOM 64 C MET A1490 6.007 1.858 0.999 1.00 0.00 C ATOM 65 O MET A1490 6.246 2.888 1.601 1.00 0.00 O ATOM 66 CB MET A1490 4.826 0.779 2.905 1.00 0.00 C ATOM 67 CG MET A1490 4.003 -0.484 3.167 1.00 0.00 C ATOM 68 SD MET A1490 2.527 -0.059 4.129 1.00 0.00 S ATOM 69 CE MET A1490 1.336 -0.112 2.766 1.00 0.00 C ATOM 0 H MET A1490 7.794 0.717 2.387 1.00 0.00 H new ATOM 0 HA MET A1490 5.323 -0.188 1.060 1.00 0.00 H new ATOM 0 HB2 MET A1490 5.394 1.046 3.796 1.00 0.00 H new ATOM 0 HB3 MET A1490 4.164 1.617 2.686 1.00 0.00 H new ATOM 0 HG2 MET A1490 3.714 -0.944 2.222 1.00 0.00 H new ATOM 0 HG3 MET A1490 4.603 -1.216 3.707 1.00 0.00 H new ATOM 0 HE1 MET A1490 0.323 -0.124 3.168 1.00 0.00 H new ATOM 0 HE2 MET A1490 1.465 0.768 2.135 1.00 0.00 H new ATOM 0 HE3 MET A1490 1.502 -1.011 2.173 1.00 0.00 H new ATOM 79 N THR A1491 5.940 1.822 -0.301 1.00 0.00 N ATOM 80 CA THR A1491 6.156 3.057 -1.112 1.00 0.00 C ATOM 81 C THR A1491 5.045 4.060 -0.798 1.00 0.00 C ATOM 82 O THR A1491 4.110 3.755 -0.082 1.00 0.00 O ATOM 83 CB THR A1491 6.124 2.711 -2.613 1.00 0.00 C ATOM 84 OG1 THR A1491 4.778 2.514 -3.026 1.00 0.00 O ATOM 85 CG2 THR A1491 6.930 1.435 -2.884 1.00 0.00 C ATOM 0 H THR A1491 5.743 0.982 -0.845 1.00 0.00 H new ATOM 0 HA THR A1491 7.127 3.488 -0.866 1.00 0.00 H new ATOM 0 HB THR A1491 6.566 3.535 -3.173 1.00 0.00 H new ATOM 0 HG1 THR A1491 4.758 2.296 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A1491 6.898 1.204 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A1491 7.965 1.586 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A1491 6.501 0.607 -2.320 1.00 0.00 H new ATOM 90 N GLU A1492 5.136 5.251 -1.334 1.00 0.00 N ATOM 91 CA GLU A1492 4.080 6.275 -1.075 1.00 0.00 C ATOM 92 C GLU A1492 2.742 5.773 -1.629 1.00 0.00 C ATOM 93 O GLU A1492 1.687 6.111 -1.126 1.00 0.00 O ATOM 94 CB GLU A1492 4.461 7.591 -1.760 1.00 0.00 C ATOM 95 CG GLU A1492 4.685 7.352 -3.257 1.00 0.00 C ATOM 96 CD GLU A1492 5.838 8.229 -3.751 1.00 0.00 C ATOM 97 OE1 GLU A1492 5.875 9.390 -3.379 1.00 0.00 O ATOM 98 OE2 GLU A1492 6.664 7.724 -4.493 1.00 0.00 O ATOM 0 H GLU A1492 5.897 5.558 -1.940 1.00 0.00 H new ATOM 0 HA GLU A1492 3.990 6.443 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A1492 3.672 8.329 -1.614 1.00 0.00 H new ATOM 0 HB3 GLU A1492 5.366 7.998 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A1492 4.911 6.301 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A1492 3.776 7.583 -3.812 1.00 0.00 H new ATOM 105 N GLU A1493 2.783 4.968 -2.663 1.00 0.00 N ATOM 106 CA GLU A1493 1.527 4.437 -3.260 1.00 0.00 C ATOM 107 C GLU A1493 1.063 3.197 -2.486 1.00 0.00 C ATOM 108 O GLU A1493 -0.106 2.860 -2.495 1.00 0.00 O ATOM 109 CB GLU A1493 1.780 4.059 -4.721 1.00 0.00 C ATOM 110 CG GLU A1493 1.501 5.267 -5.617 1.00 0.00 C ATOM 111 CD GLU A1493 2.758 6.136 -5.709 1.00 0.00 C ATOM 112 OE1 GLU A1493 3.839 5.574 -5.753 1.00 0.00 O ATOM 113 OE2 GLU A1493 2.615 7.347 -5.734 1.00 0.00 O ATOM 0 H GLU A1493 3.641 4.657 -3.119 1.00 0.00 H new ATOM 0 HA GLU A1493 0.753 5.203 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A1493 2.811 3.729 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A1493 1.140 3.225 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A1493 1.202 4.934 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A1493 0.672 5.849 -5.213 1.00 0.00 H new ATOM 120 N GLN A1494 1.966 2.515 -1.821 1.00 0.00 N ATOM 121 CA GLN A1494 1.572 1.295 -1.052 1.00 0.00 C ATOM 122 C GLN A1494 0.588 1.679 0.054 1.00 0.00 C ATOM 123 O GLN A1494 -0.406 1.013 0.268 1.00 0.00 O ATOM 124 CB GLN A1494 2.814 0.659 -0.419 1.00 0.00 C ATOM 125 CG GLN A1494 3.623 -0.092 -1.482 1.00 0.00 C ATOM 126 CD GLN A1494 2.785 -1.223 -2.079 1.00 0.00 C ATOM 127 OE1 GLN A1494 1.836 -1.681 -1.473 1.00 0.00 O ATOM 128 NE2 GLN A1494 3.099 -1.696 -3.254 1.00 0.00 N ATOM 0 H GLN A1494 2.957 2.752 -1.779 1.00 0.00 H new ATOM 0 HA GLN A1494 1.102 0.583 -1.731 1.00 0.00 H new ATOM 0 HB2 GLN A1494 3.432 1.430 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A1494 2.516 -0.027 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A1494 3.932 0.596 -2.269 1.00 0.00 H new ATOM 0 HG3 GLN A1494 4.532 -0.498 -1.039 1.00 0.00 H new ATOM 0 HE21 GLN A1494 3.895 -1.312 -3.762 1.00 0.00 H new ATOM 0 HE22 GLN A1494 2.548 -2.450 -3.664 1.00 0.00 H new ATOM 135 N LYS A1495 0.863 2.747 0.761 1.00 0.00 N ATOM 136 CA LYS A1495 -0.050 3.179 1.863 1.00 0.00 C ATOM 137 C LYS A1495 -1.431 3.506 1.287 1.00 0.00 C ATOM 138 O LYS A1495 -2.436 2.986 1.732 1.00 0.00 O ATOM 139 CB LYS A1495 0.527 4.421 2.545 1.00 0.00 C ATOM 140 CG LYS A1495 1.797 4.042 3.308 1.00 0.00 C ATOM 141 CD LYS A1495 1.974 4.976 4.506 1.00 0.00 C ATOM 142 CE LYS A1495 2.685 6.254 4.058 1.00 0.00 C ATOM 143 NZ LYS A1495 2.803 7.189 5.213 1.00 0.00 N ATOM 0 H LYS A1495 1.682 3.339 0.622 1.00 0.00 H new ATOM 0 HA LYS A1495 -0.144 2.374 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A1495 0.752 5.186 1.801 1.00 0.00 H new ATOM 0 HB3 LYS A1495 -0.207 4.847 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A1495 1.735 3.008 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A1495 2.663 4.111 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A1495 1.003 5.220 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A1495 2.553 4.480 5.285 1.00 0.00 H new ATOM 0 HE2 LYS A1495 3.674 6.015 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A1495 2.129 6.727 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A1495 3.286 8.058 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A1495 1.854 7.426 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A1495 3.351 6.736 5.972 1.00 0.00 H new ATOM 157 N LYS A1496 -1.483 4.361 0.296 1.00 0.00 N ATOM 158 CA LYS A1496 -2.795 4.724 -0.318 1.00 0.00 C ATOM 159 C LYS A1496 -3.323 3.570 -1.186 1.00 0.00 C ATOM 160 O LYS A1496 -4.431 3.627 -1.686 1.00 0.00 O ATOM 161 CB LYS A1496 -2.640 5.984 -1.177 1.00 0.00 C ATOM 162 CG LYS A1496 -1.646 5.735 -2.320 1.00 0.00 C ATOM 163 CD LYS A1496 -1.208 7.074 -2.915 1.00 0.00 C ATOM 164 CE LYS A1496 -2.225 7.524 -3.965 1.00 0.00 C ATOM 165 NZ LYS A1496 -1.547 8.379 -4.979 1.00 0.00 N ATOM 0 H LYS A1496 -0.672 4.823 -0.114 1.00 0.00 H new ATOM 0 HA LYS A1496 -3.509 4.917 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A1496 -3.608 6.274 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A1496 -2.293 6.812 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A1496 -0.779 5.188 -1.950 1.00 0.00 H new ATOM 0 HG3 LYS A1496 -2.108 5.116 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A1496 -1.126 7.824 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A1496 -0.221 6.977 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A1496 -2.674 6.656 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A1496 -3.034 8.078 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A1496 -2.238 8.685 -5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A1496 -1.139 9.214 -4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A1496 -0.790 7.836 -5.441 1.00 0.00 H new ATOM 179 N TYR A1497 -2.555 2.521 -1.363 1.00 0.00 N ATOM 180 CA TYR A1497 -3.023 1.375 -2.178 1.00 0.00 C ATOM 181 C TYR A1497 -3.798 0.436 -1.251 1.00 0.00 C ATOM 182 O TYR A1497 -4.739 -0.203 -1.658 1.00 0.00 O ATOM 183 CB TYR A1497 -1.784 0.686 -2.796 1.00 0.00 C ATOM 184 CG TYR A1497 -2.048 -0.760 -3.190 1.00 0.00 C ATOM 185 CD1 TYR A1497 -3.280 -1.147 -3.738 1.00 0.00 C ATOM 186 CD2 TYR A1497 -1.039 -1.709 -3.005 1.00 0.00 C ATOM 187 CE1 TYR A1497 -3.495 -2.482 -4.098 1.00 0.00 C ATOM 188 CE2 TYR A1497 -1.254 -3.040 -3.366 1.00 0.00 C ATOM 189 CZ TYR A1497 -2.482 -3.429 -3.915 1.00 0.00 C ATOM 190 OH TYR A1497 -2.693 -4.745 -4.272 1.00 0.00 O ATOM 0 H TYR A1497 -1.619 2.417 -0.972 1.00 0.00 H new ATOM 0 HA TYR A1497 -3.680 1.683 -2.992 1.00 0.00 H new ATOM 0 HB2 TYR A1497 -1.464 1.245 -3.676 1.00 0.00 H new ATOM 0 HB3 TYR A1497 -0.962 0.719 -2.081 1.00 0.00 H new ATOM 0 HD1 TYR A1497 -4.061 -0.416 -3.882 1.00 0.00 H new ATOM 0 HD2 TYR A1497 -0.091 -1.412 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A1497 -4.444 -2.781 -4.518 1.00 0.00 H new ATOM 0 HE2 TYR A1497 -0.472 -3.771 -3.222 1.00 0.00 H new ATOM 0 HH TYR A1497 -1.888 -5.269 -4.080 1.00 0.00 H new ATOM 200 N TYR A1498 -3.402 0.363 -0.006 1.00 0.00 N ATOM 201 CA TYR A1498 -4.095 -0.528 0.967 1.00 0.00 C ATOM 202 C TYR A1498 -5.589 -0.189 1.049 1.00 0.00 C ATOM 203 O TYR A1498 -6.399 -1.036 1.376 1.00 0.00 O ATOM 204 CB TYR A1498 -3.456 -0.346 2.345 1.00 0.00 C ATOM 205 CG TYR A1498 -2.227 -1.233 2.493 1.00 0.00 C ATOM 206 CD1 TYR A1498 -1.399 -1.526 1.390 1.00 0.00 C ATOM 207 CD2 TYR A1498 -1.910 -1.758 3.754 1.00 0.00 C ATOM 208 CE1 TYR A1498 -0.270 -2.336 1.556 1.00 0.00 C ATOM 209 CE2 TYR A1498 -0.781 -2.569 3.914 1.00 0.00 C ATOM 210 CZ TYR A1498 0.038 -2.858 2.817 1.00 0.00 C ATOM 211 OH TYR A1498 1.151 -3.657 2.979 1.00 0.00 O ATOM 0 H TYR A1498 -2.619 0.890 0.380 1.00 0.00 H new ATOM 0 HA TYR A1498 -3.995 -1.561 0.635 1.00 0.00 H new ATOM 0 HB2 TYR A1498 -3.176 0.698 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A1498 -4.181 -0.589 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A1498 -1.636 -1.125 0.416 1.00 0.00 H new ATOM 0 HD2 TYR A1498 -2.539 -1.536 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A1498 0.364 -2.558 0.710 1.00 0.00 H new ATOM 0 HE2 TYR A1498 -0.541 -2.973 4.887 1.00 0.00 H new ATOM 0 HH TYR A1498 1.221 -3.935 3.916 1.00 0.00 H new ATOM 221 N ASN A1499 -5.962 1.039 0.766 1.00 0.00 N ATOM 222 CA ASN A1499 -7.411 1.410 0.844 1.00 0.00 C ATOM 223 C ASN A1499 -8.132 0.972 -0.434 1.00 0.00 C ATOM 224 O ASN A1499 -9.315 0.690 -0.421 1.00 0.00 O ATOM 225 CB ASN A1499 -7.557 2.925 1.031 1.00 0.00 C ATOM 226 CG ASN A1499 -6.739 3.671 -0.023 1.00 0.00 C ATOM 227 OD1 ASN A1499 -6.860 3.411 -1.202 1.00 0.00 O ATOM 228 ND2 ASN A1499 -5.907 4.603 0.358 1.00 0.00 N ATOM 0 H ASN A1499 -5.333 1.792 0.488 1.00 0.00 H new ATOM 0 HA ASN A1499 -7.859 0.903 1.698 1.00 0.00 H new ATOM 0 HB2 ASN A1499 -8.607 3.208 0.954 1.00 0.00 H new ATOM 0 HB3 ASN A1499 -7.223 3.209 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A1499 -5.359 5.112 -0.336 1.00 0.00 H new ATOM 0 HD22 ASN A1499 -5.805 4.822 1.349 1.00 0.00 H new ATOM 235 N ALA A1500 -7.428 0.912 -1.535 1.00 0.00 N ATOM 236 CA ALA A1500 -8.066 0.492 -2.817 1.00 0.00 C ATOM 237 C ALA A1500 -8.185 -1.036 -2.867 1.00 0.00 C ATOM 238 O ALA A1500 -9.050 -1.575 -3.531 1.00 0.00 O ATOM 239 CB ALA A1500 -7.211 0.971 -3.991 1.00 0.00 C ATOM 0 H ALA A1500 -6.435 1.137 -1.601 1.00 0.00 H new ATOM 0 HA ALA A1500 -9.061 0.932 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A1500 -7.676 0.665 -4.928 1.00 0.00 H new ATOM 0 HB2 ALA A1500 -7.131 2.058 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A1500 -6.216 0.532 -3.919 1.00 0.00 H new ATOM 245 N MET A1501 -7.324 -1.738 -2.169 1.00 0.00 N ATOM 246 CA MET A1501 -7.388 -3.231 -2.175 1.00 0.00 C ATOM 247 C MET A1501 -8.451 -3.694 -1.181 1.00 0.00 C ATOM 248 O MET A1501 -9.117 -4.690 -1.392 1.00 0.00 O ATOM 249 CB MET A1501 -6.029 -3.841 -1.797 1.00 0.00 C ATOM 250 CG MET A1501 -5.442 -3.121 -0.585 1.00 0.00 C ATOM 251 SD MET A1501 -4.222 -4.176 0.225 1.00 0.00 S ATOM 252 CE MET A1501 -2.777 -3.464 -0.594 1.00 0.00 C ATOM 0 H MET A1501 -6.580 -1.340 -1.596 1.00 0.00 H new ATOM 0 HA MET A1501 -7.646 -3.565 -3.180 1.00 0.00 H new ATOM 0 HB2 MET A1501 -6.148 -4.902 -1.576 1.00 0.00 H new ATOM 0 HB3 MET A1501 -5.342 -3.766 -2.640 1.00 0.00 H new ATOM 0 HG2 MET A1501 -4.977 -2.186 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A1501 -6.236 -2.864 0.116 1.00 0.00 H new ATOM 0 HE1 MET A1501 -1.908 -3.554 0.058 1.00 0.00 H new ATOM 0 HE2 MET A1501 -2.588 -3.997 -1.526 1.00 0.00 H new ATOM 0 HE3 MET A1501 -2.962 -2.412 -0.809 1.00 0.00 H new ATOM 262 N LYS A1502 -8.619 -2.973 -0.100 1.00 0.00 N ATOM 263 CA LYS A1502 -9.646 -3.361 0.911 1.00 0.00 C ATOM 264 C LYS A1502 -11.037 -2.867 0.477 1.00 0.00 C ATOM 265 O LYS A1502 -12.026 -3.155 1.126 1.00 0.00 O ATOM 266 CB LYS A1502 -9.284 -2.750 2.270 1.00 0.00 C ATOM 267 CG LYS A1502 -9.200 -1.220 2.156 1.00 0.00 C ATOM 268 CD LYS A1502 -10.405 -0.581 2.850 1.00 0.00 C ATOM 269 CE LYS A1502 -10.008 0.789 3.403 1.00 0.00 C ATOM 270 NZ LYS A1502 -11.110 1.321 4.253 1.00 0.00 N ATOM 0 H LYS A1502 -8.088 -2.132 0.125 1.00 0.00 H new ATOM 0 HA LYS A1502 -9.668 -4.448 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A1502 -10.032 -3.026 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A1502 -8.330 -3.150 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A1502 -8.276 -0.863 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A1502 -9.175 -0.925 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A1502 -11.230 -0.475 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A1502 -10.756 -1.223 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A1502 -9.092 0.705 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A1502 -9.802 1.478 2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A1502 -10.840 2.252 4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A1502 -11.974 1.415 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A1502 -11.286 0.667 5.042 1.00 0.00 H new ATOM 284 N LYS A1503 -11.128 -2.130 -0.611 1.00 0.00 N ATOM 285 CA LYS A1503 -12.458 -1.629 -1.068 1.00 0.00 C ATOM 286 C LYS A1503 -13.075 -2.637 -2.048 1.00 0.00 C ATOM 287 O LYS A1503 -13.323 -2.319 -3.195 1.00 0.00 O ATOM 288 CB LYS A1503 -12.278 -0.273 -1.760 1.00 0.00 C ATOM 289 CG LYS A1503 -12.494 0.852 -0.745 1.00 0.00 C ATOM 290 CD LYS A1503 -12.316 2.204 -1.437 1.00 0.00 C ATOM 291 CE LYS A1503 -13.212 3.245 -0.763 1.00 0.00 C ATOM 292 NZ LYS A1503 -12.767 4.612 -1.157 1.00 0.00 N ATOM 0 H LYS A1503 -10.338 -1.858 -1.196 1.00 0.00 H new ATOM 0 HA LYS A1503 -13.121 -1.511 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A1503 -11.279 -0.202 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A1503 -12.987 -0.176 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A1503 -13.493 0.781 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A1503 -11.785 0.756 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A1503 -11.273 2.517 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A1503 -12.570 2.120 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A1503 -14.251 3.091 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A1503 -13.166 3.134 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A1503 -13.375 5.321 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A1503 -11.782 4.756 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A1503 -12.833 4.714 -2.190 1.00 0.00 H new ATOM 306 N LEU A1504 -13.316 -3.851 -1.575 1.00 0.00 N ATOM 307 CA LEU A1504 -13.924 -4.965 -2.403 1.00 0.00 C ATOM 308 C LEU A1504 -13.601 -4.841 -3.899 1.00 0.00 C ATOM 309 O LEU A1504 -14.447 -5.046 -4.749 1.00 0.00 O ATOM 310 CB LEU A1504 -15.443 -4.994 -2.186 1.00 0.00 C ATOM 311 CG LEU A1504 -16.111 -3.735 -2.773 1.00 0.00 C ATOM 312 CD1 LEU A1504 -17.035 -4.130 -3.925 1.00 0.00 C ATOM 313 CD2 LEU A1504 -16.932 -3.029 -1.688 1.00 0.00 C ATOM 0 H LEU A1504 -13.108 -4.124 -0.614 1.00 0.00 H new ATOM 0 HA LEU A1504 -13.480 -5.902 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A1504 -15.863 -5.884 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A1504 -15.660 -5.061 -1.120 1.00 0.00 H new ATOM 0 HG LEU A1504 -15.337 -3.061 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A1504 -17.505 -3.237 -4.337 1.00 0.00 H new ATOM 0 HD12 LEU A1504 -16.455 -4.626 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A1504 -17.805 -4.809 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A1504 -17.402 -2.140 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A1504 -17.702 -3.705 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A1504 -16.277 -2.739 -0.867 1.00 0.00 H new ATOM 325 N GLY A1505 -12.381 -4.505 -4.212 1.00 0.00 N ATOM 326 CA GLY A1505 -11.976 -4.361 -5.641 1.00 0.00 C ATOM 327 C GLY A1505 -12.772 -3.224 -6.286 1.00 0.00 C ATOM 328 O GLY A1505 -12.852 -2.133 -5.754 1.00 0.00 O ATOM 0 H GLY A1505 -11.640 -4.322 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A1505 -10.908 -4.155 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A1505 -12.155 -5.293 -6.176 1.00 0.00 H new ATOM 332 N SER A1506 -13.361 -3.476 -7.427 1.00 0.00 N ATOM 333 CA SER A1506 -14.157 -2.416 -8.115 1.00 0.00 C ATOM 334 C SER A1506 -14.892 -3.025 -9.311 1.00 0.00 C ATOM 335 O SER A1506 -16.104 -2.963 -9.401 1.00 0.00 O ATOM 336 CB SER A1506 -13.218 -1.312 -8.604 1.00 0.00 C ATOM 337 OG SER A1506 -12.060 -1.900 -9.180 1.00 0.00 O ATOM 0 H SER A1506 -13.325 -4.372 -7.913 1.00 0.00 H new ATOM 0 HA SER A1506 -14.882 -1.996 -7.418 1.00 0.00 H new ATOM 0 HB2 SER A1506 -13.725 -0.686 -9.338 1.00 0.00 H new ATOM 0 HB3 SER A1506 -12.936 -0.664 -7.774 1.00 0.00 H new ATOM 0 HG SER A1506 -11.457 -1.195 -9.496 1.00 0.00 H new TER 343 SER A1506