USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=7 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: A1497 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A1501 MET CE :methyl -117:sc= -11.2! (180deg=-16.8!) USER MOD Set 2.1: A1486 GLN : amide:sc= 0.389 K(o=1.5,f=-4.6!) USER MOD Set 2.2: A1498 TYR OH : rot -26:sc= 1.11 USER MOD Single : A1490 MET CE :methyl 173:sc= -9.69! (180deg=-9.75!) USER MOD Single : A1491 THR OG1 : rot -142:sc= -2.36 USER MOD Single : A1494 GLN : amide:sc= -0.884 K(o=-0.88,f=-3!) USER MOD Single : A1495 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1496 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.043) USER MOD Single : A1499 ASN : amide:sc= -3.86 K(o=-3.9,f=-5.9!) 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 65:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A1486 5.275 -7.029 0.957 1.00 0.00 N ATOM 2 CA GLN A1486 5.664 -5.981 -0.033 1.00 0.00 C ATOM 3 C GLN A1486 7.126 -5.599 0.186 1.00 0.00 C ATOM 4 O GLN A1486 7.498 -4.443 0.116 1.00 0.00 O ATOM 5 CB GLN A1486 4.776 -4.752 0.154 1.00 0.00 C ATOM 6 CG GLN A1486 4.853 -4.270 1.606 1.00 0.00 C ATOM 7 CD GLN A1486 3.663 -4.818 2.397 1.00 0.00 C ATOM 8 OE1 GLN A1486 2.622 -5.097 1.836 1.00 0.00 O ATOM 9 NE2 GLN A1486 3.774 -4.983 3.687 1.00 0.00 N ATOM 0 HA GLN A1486 5.538 -6.365 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN A1486 5.094 -3.957 -0.520 1.00 0.00 H new ATOM 0 HB3 GLN A1486 3.745 -4.995 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A1486 5.787 -4.601 2.060 1.00 0.00 H new ATOM 0 HG3 GLN A1486 4.852 -3.180 1.638 1.00 0.00 H new ATOM 0 HE21 GLN A1486 4.648 -4.749 4.158 1.00 0.00 H new ATOM 0 HE22 GLN A1486 2.987 -5.346 4.224 1.00 0.00 H new ATOM 16 N ASP A1487 7.953 -6.572 0.451 1.00 0.00 N ATOM 17 CA ASP A1487 9.405 -6.303 0.683 1.00 0.00 C ATOM 18 C ASP A1487 9.567 -5.395 1.904 1.00 0.00 C ATOM 19 O ASP A1487 10.428 -4.536 1.937 1.00 0.00 O ATOM 20 CB ASP A1487 10.012 -5.621 -0.548 1.00 0.00 C ATOM 21 CG ASP A1487 9.687 -6.439 -1.801 1.00 0.00 C ATOM 22 OD1 ASP A1487 10.209 -7.534 -1.921 1.00 0.00 O ATOM 23 OD2 ASP A1487 8.919 -5.955 -2.617 1.00 0.00 O ATOM 0 H ASP A1487 7.684 -7.554 0.518 1.00 0.00 H new ATOM 0 HA ASP A1487 9.921 -7.247 0.859 1.00 0.00 H new ATOM 0 HB2 ASP A1487 9.616 -4.610 -0.648 1.00 0.00 H new ATOM 0 HB3 ASP A1487 11.092 -5.530 -0.431 1.00 0.00 H new ATOM 28 N ILE A1488 8.743 -5.590 2.908 1.00 0.00 N ATOM 29 CA ILE A1488 8.806 -4.775 4.157 1.00 0.00 C ATOM 30 C ILE A1488 8.973 -3.276 3.841 1.00 0.00 C ATOM 31 O ILE A1488 9.595 -2.533 4.576 1.00 0.00 O ATOM 32 CB ILE A1488 9.946 -5.311 5.043 1.00 0.00 C ATOM 33 CG1 ILE A1488 9.750 -4.771 6.460 1.00 0.00 C ATOM 34 CG2 ILE A1488 11.328 -4.909 4.492 1.00 0.00 C ATOM 35 CD1 ILE A1488 10.856 -5.287 7.389 1.00 0.00 C ATOM 0 H ILE A1488 8.011 -6.300 2.909 1.00 0.00 H new ATOM 0 HA ILE A1488 7.866 -4.867 4.701 1.00 0.00 H new ATOM 0 HB ILE A1488 9.914 -6.401 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A1488 9.759 -3.681 6.445 1.00 0.00 H new ATOM 0 HG13 ILE A1488 8.775 -5.077 6.840 1.00 0.00 H new ATOM 0 HG21 ILE A1488 12.108 -5.304 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A1488 11.452 -5.316 3.488 1.00 0.00 H new ATOM 0 HG23 ILE A1488 11.403 -3.822 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A1488 10.701 -4.893 8.393 1.00 0.00 H new ATOM 0 HD12 ILE A1488 10.828 -6.376 7.418 1.00 0.00 H new ATOM 0 HD13 ILE A1488 11.826 -4.959 7.016 1.00 0.00 H new ATOM 42 N PHE A1489 8.410 -2.841 2.746 1.00 0.00 N ATOM 43 CA PHE A1489 8.522 -1.401 2.363 1.00 0.00 C ATOM 44 C PHE A1489 7.187 -0.908 1.810 1.00 0.00 C ATOM 45 O PHE A1489 6.651 -1.468 0.871 1.00 0.00 O ATOM 46 CB PHE A1489 9.603 -1.238 1.283 1.00 0.00 C ATOM 47 CG PHE A1489 10.642 -0.241 1.735 1.00 0.00 C ATOM 48 CD1 PHE A1489 11.560 -0.586 2.734 1.00 0.00 C ATOM 49 CD2 PHE A1489 10.686 1.032 1.155 1.00 0.00 C ATOM 50 CE1 PHE A1489 12.523 0.341 3.151 1.00 0.00 C ATOM 51 CE2 PHE A1489 11.647 1.959 1.572 1.00 0.00 C ATOM 52 CZ PHE A1489 12.566 1.614 2.570 1.00 0.00 C ATOM 0 H PHE A1489 7.876 -3.420 2.098 1.00 0.00 H new ATOM 0 HA PHE A1489 8.790 -0.818 3.244 1.00 0.00 H new ATOM 0 HB2 PHE A1489 10.074 -2.200 1.081 1.00 0.00 H new ATOM 0 HB3 PHE A1489 9.149 -0.904 0.350 1.00 0.00 H new ATOM 0 HD1 PHE A1489 11.525 -1.568 3.183 1.00 0.00 H new ATOM 0 HD2 PHE A1489 9.977 1.299 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A1489 13.232 0.074 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A1489 11.680 2.941 1.124 1.00 0.00 H new ATOM 0 HZ PHE A1489 13.308 2.330 2.892 1.00 0.00 H new ATOM 62 N MET A1490 6.665 0.153 2.363 1.00 0.00 N ATOM 63 CA MET A1490 5.384 0.708 1.848 1.00 0.00 C ATOM 64 C MET A1490 5.646 2.102 1.292 1.00 0.00 C ATOM 65 O MET A1490 5.577 3.093 1.993 1.00 0.00 O ATOM 66 CB MET A1490 4.347 0.797 2.953 1.00 0.00 C ATOM 67 CG MET A1490 3.930 -0.610 3.387 1.00 0.00 C ATOM 68 SD MET A1490 2.302 -0.542 4.178 1.00 0.00 S ATOM 69 CE MET A1490 1.341 -0.183 2.688 1.00 0.00 C ATOM 0 H MET A1490 7.072 0.659 3.150 1.00 0.00 H new ATOM 0 HA MET A1490 5.000 0.049 1.070 1.00 0.00 H new ATOM 0 HB2 MET A1490 4.754 1.344 3.803 1.00 0.00 H new ATOM 0 HB3 MET A1490 3.477 1.353 2.604 1.00 0.00 H new ATOM 0 HG2 MET A1490 3.899 -1.274 2.523 1.00 0.00 H new ATOM 0 HG3 MET A1490 4.665 -1.021 4.079 1.00 0.00 H new ATOM 0 HE1 MET A1490 0.277 -0.220 2.923 1.00 0.00 H new ATOM 0 HE2 MET A1490 1.597 0.811 2.321 1.00 0.00 H new ATOM 0 HE3 MET A1490 1.569 -0.923 1.921 1.00 0.00 H new ATOM 79 N THR A1491 5.954 2.167 0.034 1.00 0.00 N ATOM 80 CA THR A1491 6.244 3.480 -0.621 1.00 0.00 C ATOM 81 C THR A1491 5.028 4.405 -0.500 1.00 0.00 C ATOM 82 O THR A1491 4.126 4.159 0.277 1.00 0.00 O ATOM 83 CB THR A1491 6.581 3.260 -2.104 1.00 0.00 C ATOM 84 OG1 THR A1491 5.390 2.967 -2.816 1.00 0.00 O ATOM 85 CG2 THR A1491 7.566 2.096 -2.256 1.00 0.00 C ATOM 0 H THR A1491 6.020 1.358 -0.584 1.00 0.00 H new ATOM 0 HA THR A1491 7.096 3.943 -0.124 1.00 0.00 H new ATOM 0 HB THR A1491 7.039 4.165 -2.504 1.00 0.00 H new ATOM 0 HG1 THR A1491 5.575 2.288 -3.498 1.00 0.00 H new ATOM 0 HG21 THR A1491 7.797 1.950 -3.311 1.00 0.00 H new ATOM 0 HG22 THR A1491 8.483 2.322 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A1491 7.120 1.187 -1.853 1.00 0.00 H new ATOM 90 N GLU A1492 5.008 5.474 -1.255 1.00 0.00 N ATOM 91 CA GLU A1492 3.865 6.432 -1.184 1.00 0.00 C ATOM 92 C GLU A1492 2.596 5.790 -1.752 1.00 0.00 C ATOM 93 O GLU A1492 1.497 6.121 -1.349 1.00 0.00 O ATOM 94 CB GLU A1492 4.204 7.686 -1.993 1.00 0.00 C ATOM 95 CG GLU A1492 4.868 8.719 -1.081 1.00 0.00 C ATOM 96 CD GLU A1492 6.255 8.224 -0.672 1.00 0.00 C ATOM 97 OE1 GLU A1492 7.069 8.007 -1.555 1.00 0.00 O ATOM 98 OE2 GLU A1492 6.482 8.069 0.517 1.00 0.00 O ATOM 0 H GLU A1492 5.739 5.725 -1.921 1.00 0.00 H new ATOM 0 HA GLU A1492 3.691 6.698 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A1492 4.871 7.431 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A1492 3.298 8.103 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A1492 4.950 9.676 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A1492 4.254 8.886 -0.196 1.00 0.00 H new ATOM 105 N GLU A1493 2.735 4.883 -2.687 1.00 0.00 N ATOM 106 CA GLU A1493 1.531 4.232 -3.282 1.00 0.00 C ATOM 107 C GLU A1493 1.135 3.017 -2.447 1.00 0.00 C ATOM 108 O GLU A1493 -0.031 2.723 -2.268 1.00 0.00 O ATOM 109 CB GLU A1493 1.831 3.803 -4.724 1.00 0.00 C ATOM 110 CG GLU A1493 2.977 2.788 -4.763 1.00 0.00 C ATOM 111 CD GLU A1493 3.180 2.305 -6.200 1.00 0.00 C ATOM 112 OE1 GLU A1493 3.529 3.122 -7.035 1.00 0.00 O ATOM 113 OE2 GLU A1493 2.981 1.126 -6.440 1.00 0.00 O ATOM 0 H GLU A1493 3.629 4.567 -3.062 1.00 0.00 H new ATOM 0 HA GLU A1493 0.705 4.943 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A1493 0.938 3.367 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A1493 2.093 4.677 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A1493 3.894 3.243 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A1493 2.751 1.943 -4.112 1.00 0.00 H new ATOM 120 N GLN A1494 2.107 2.311 -1.938 1.00 0.00 N ATOM 121 CA GLN A1494 1.819 1.097 -1.106 1.00 0.00 C ATOM 122 C GLN A1494 0.871 1.460 0.044 1.00 0.00 C ATOM 123 O GLN A1494 -0.068 0.741 0.335 1.00 0.00 O ATOM 124 CB GLN A1494 3.126 0.548 -0.520 1.00 0.00 C ATOM 125 CG GLN A1494 4.112 0.204 -1.642 1.00 0.00 C ATOM 126 CD GLN A1494 3.511 -0.849 -2.577 1.00 0.00 C ATOM 127 OE1 GLN A1494 2.539 -1.497 -2.243 1.00 0.00 O ATOM 128 NE2 GLN A1494 4.057 -1.048 -3.746 1.00 0.00 N ATOM 0 H GLN A1494 3.098 2.521 -2.061 1.00 0.00 H new ATOM 0 HA GLN A1494 1.352 0.342 -1.739 1.00 0.00 H new ATOM 0 HB2 GLN A1494 3.570 1.285 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A1494 2.920 -0.341 0.076 1.00 0.00 H new ATOM 0 HG2 GLN A1494 4.358 1.103 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A1494 5.043 -0.169 -1.215 1.00 0.00 H new ATOM 0 HE21 GLN A1494 4.873 -0.504 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A1494 3.668 -1.747 -4.378 1.00 0.00 H new ATOM 135 N LYS A1495 1.112 2.570 0.696 1.00 0.00 N ATOM 136 CA LYS A1495 0.233 2.987 1.829 1.00 0.00 C ATOM 137 C LYS A1495 -1.169 3.300 1.303 1.00 0.00 C ATOM 138 O LYS A1495 -2.160 2.879 1.871 1.00 0.00 O ATOM 139 CB LYS A1495 0.817 4.235 2.497 1.00 0.00 C ATOM 140 CG LYS A1495 2.245 3.944 2.961 1.00 0.00 C ATOM 141 CD LYS A1495 2.528 4.711 4.255 1.00 0.00 C ATOM 142 CE LYS A1495 2.229 3.814 5.457 1.00 0.00 C ATOM 143 NZ LYS A1495 2.837 4.406 6.681 1.00 0.00 N ATOM 0 H LYS A1495 1.882 3.206 0.491 1.00 0.00 H new ATOM 0 HA LYS A1495 0.175 2.178 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A1495 0.814 5.070 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A1495 0.200 4.528 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A1495 2.375 2.874 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A1495 2.956 4.237 2.189 1.00 0.00 H new ATOM 0 HD2 LYS A1495 3.569 5.033 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A1495 1.915 5.611 4.298 1.00 0.00 H new ATOM 0 HE2 LYS A1495 1.152 3.709 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A1495 2.628 2.814 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A1495 2.634 3.797 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A1495 3.866 4.484 6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A1495 2.436 5.351 6.846 1.00 0.00 H new ATOM 157 N LYS A1496 -1.259 4.033 0.222 1.00 0.00 N ATOM 158 CA LYS A1496 -2.596 4.375 -0.345 1.00 0.00 C ATOM 159 C LYS A1496 -3.134 3.215 -1.196 1.00 0.00 C ATOM 160 O LYS A1496 -4.200 3.317 -1.776 1.00 0.00 O ATOM 161 CB LYS A1496 -2.478 5.619 -1.222 1.00 0.00 C ATOM 162 CG LYS A1496 -2.592 6.877 -0.356 1.00 0.00 C ATOM 163 CD LYS A1496 -1.190 7.388 0.000 1.00 0.00 C ATOM 164 CE LYS A1496 -1.157 8.916 -0.098 1.00 0.00 C ATOM 165 NZ LYS A1496 -2.039 9.500 0.951 1.00 0.00 N ATOM 0 H LYS A1496 -0.462 4.409 -0.292 1.00 0.00 H new ATOM 0 HA LYS A1496 -3.283 4.562 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A1496 -1.524 5.614 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A1496 -3.261 5.616 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A1496 -3.146 7.649 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A1496 -3.150 6.655 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A1496 -0.923 7.073 1.009 1.00 0.00 H new ATOM 0 HD3 LYS A1496 -0.452 6.955 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A1496 -0.136 9.277 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A1496 -1.489 9.235 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A1496 -1.901 10.530 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A1496 -3.032 9.291 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A1496 -1.800 9.087 1.875 1.00 0.00 H new ATOM 179 N TYR A1497 -2.424 2.114 -1.272 1.00 0.00 N ATOM 180 CA TYR A1497 -2.907 0.963 -2.071 1.00 0.00 C ATOM 181 C TYR A1497 -3.738 0.079 -1.141 1.00 0.00 C ATOM 182 O TYR A1497 -4.714 -0.505 -1.546 1.00 0.00 O ATOM 183 CB TYR A1497 -1.674 0.223 -2.642 1.00 0.00 C ATOM 184 CG TYR A1497 -1.938 -1.250 -2.910 1.00 0.00 C ATOM 185 CD1 TYR A1497 -3.153 -1.678 -3.464 1.00 0.00 C ATOM 186 CD2 TYR A1497 -0.942 -2.183 -2.607 1.00 0.00 C ATOM 187 CE1 TYR A1497 -3.366 -3.040 -3.712 1.00 0.00 C ATOM 188 CE2 TYR A1497 -1.156 -3.540 -2.850 1.00 0.00 C ATOM 189 CZ TYR A1497 -2.369 -3.971 -3.404 1.00 0.00 C ATOM 190 OH TYR A1497 -2.577 -5.313 -3.647 1.00 0.00 O ATOM 0 H TYR A1497 -1.526 1.971 -0.809 1.00 0.00 H new ATOM 0 HA TYR A1497 -3.532 1.265 -2.911 1.00 0.00 H new ATOM 0 HB2 TYR A1497 -1.364 0.706 -3.569 1.00 0.00 H new ATOM 0 HB3 TYR A1497 -0.844 0.316 -1.941 1.00 0.00 H new ATOM 0 HD1 TYR A1497 -3.923 -0.959 -3.699 1.00 0.00 H new ATOM 0 HD2 TYR A1497 -0.005 -1.853 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR A1497 -4.300 -3.371 -4.141 1.00 0.00 H new ATOM 0 HE2 TYR A1497 -0.386 -4.259 -2.611 1.00 0.00 H new ATOM 0 HH TYR A1497 -1.784 -5.821 -3.376 1.00 0.00 H new ATOM 200 N TYR A1498 -3.349 -0.007 0.105 1.00 0.00 N ATOM 201 CA TYR A1498 -4.098 -0.846 1.087 1.00 0.00 C ATOM 202 C TYR A1498 -5.580 -0.448 1.121 1.00 0.00 C ATOM 203 O TYR A1498 -6.440 -1.271 1.374 1.00 0.00 O ATOM 204 CB TYR A1498 -3.503 -0.636 2.478 1.00 0.00 C ATOM 205 CG TYR A1498 -2.318 -1.558 2.700 1.00 0.00 C ATOM 206 CD1 TYR A1498 -1.345 -1.738 1.699 1.00 0.00 C ATOM 207 CD2 TYR A1498 -2.188 -2.228 3.923 1.00 0.00 C ATOM 208 CE1 TYR A1498 -0.257 -2.587 1.927 1.00 0.00 C ATOM 209 CE2 TYR A1498 -1.098 -3.077 4.146 1.00 0.00 C ATOM 210 CZ TYR A1498 -0.133 -3.256 3.149 1.00 0.00 C ATOM 211 OH TYR A1498 0.941 -4.093 3.373 1.00 0.00 O ATOM 0 H TYR A1498 -2.535 0.474 0.488 1.00 0.00 H new ATOM 0 HA TYR A1498 -4.017 -1.891 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A1498 -3.189 0.402 2.592 1.00 0.00 H new ATOM 0 HB3 TYR A1498 -4.263 -0.824 3.236 1.00 0.00 H new ATOM 0 HD1 TYR A1498 -1.438 -1.221 0.755 1.00 0.00 H new ATOM 0 HD2 TYR A1498 -2.930 -2.089 4.695 1.00 0.00 H new ATOM 0 HE1 TYR A1498 0.489 -2.726 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A1498 -1.002 -3.595 5.089 1.00 0.00 H new ATOM 0 HH TYR A1498 1.268 -4.441 2.517 1.00 0.00 H new ATOM 221 N ASN A1499 -5.885 0.807 0.880 1.00 0.00 N ATOM 222 CA ASN A1499 -7.313 1.248 0.917 1.00 0.00 C ATOM 223 C ASN A1499 -7.997 0.907 -0.409 1.00 0.00 C ATOM 224 O ASN A1499 -9.189 0.665 -0.456 1.00 0.00 O ATOM 225 CB ASN A1499 -7.384 2.759 1.166 1.00 0.00 C ATOM 226 CG ASN A1499 -6.627 3.512 0.068 1.00 0.00 C ATOM 227 OD1 ASN A1499 -6.976 3.430 -1.093 1.00 0.00 O ATOM 228 ND2 ASN A1499 -5.602 4.250 0.390 1.00 0.00 N ATOM 0 H ASN A1499 -5.209 1.539 0.661 1.00 0.00 H new ATOM 0 HA ASN A1499 -7.826 0.728 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A1499 -8.425 3.083 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A1499 -6.956 2.995 2.140 1.00 0.00 H new ATOM 0 HD21 ASN A1499 -5.093 4.759 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A1499 -5.309 4.319 1.365 1.00 0.00 H new ATOM 235 N ALA A1500 -7.252 0.888 -1.485 1.00 0.00 N ATOM 236 CA ALA A1500 -7.853 0.565 -2.810 1.00 0.00 C ATOM 237 C ALA A1500 -8.135 -0.936 -2.901 1.00 0.00 C ATOM 238 O ALA A1500 -9.014 -1.363 -3.625 1.00 0.00 O ATOM 239 CB ALA A1500 -6.883 0.963 -3.919 1.00 0.00 C ATOM 0 H ALA A1500 -6.251 1.083 -1.501 1.00 0.00 H new ATOM 0 HA ALA A1500 -8.787 1.115 -2.922 1.00 0.00 H new ATOM 0 HB1 ALA A1500 -7.322 0.727 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A1500 -6.684 2.033 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A1500 -5.949 0.413 -3.800 1.00 0.00 H new ATOM 245 N MET A1501 -7.401 -1.738 -2.170 1.00 0.00 N ATOM 246 CA MET A1501 -7.628 -3.209 -2.209 1.00 0.00 C ATOM 247 C MET A1501 -8.730 -3.564 -1.213 1.00 0.00 C ATOM 248 O MET A1501 -9.499 -4.483 -1.425 1.00 0.00 O ATOM 249 CB MET A1501 -6.339 -3.958 -1.851 1.00 0.00 C ATOM 250 CG MET A1501 -5.742 -3.388 -0.564 1.00 0.00 C ATOM 251 SD MET A1501 -4.573 -4.571 0.136 1.00 0.00 S ATOM 252 CE MET A1501 -3.084 -3.777 -0.506 1.00 0.00 C ATOM 0 H MET A1501 -6.653 -1.433 -1.547 1.00 0.00 H new ATOM 0 HA MET A1501 -7.928 -3.503 -3.215 1.00 0.00 H new ATOM 0 HB2 MET A1501 -6.549 -5.020 -1.725 1.00 0.00 H new ATOM 0 HB3 MET A1501 -5.620 -3.870 -2.665 1.00 0.00 H new ATOM 0 HG2 MET A1501 -5.239 -2.444 -0.772 1.00 0.00 H new ATOM 0 HG3 MET A1501 -6.534 -3.176 0.154 1.00 0.00 H new ATOM 0 HE1 MET A1501 -2.579 -4.454 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A1501 -3.357 -2.861 -1.031 1.00 0.00 H new ATOM 0 HE3 MET A1501 -2.415 -3.536 0.320 1.00 0.00 H new ATOM 262 N LYS A1502 -8.814 -2.833 -0.130 1.00 0.00 N ATOM 263 CA LYS A1502 -9.867 -3.109 0.886 1.00 0.00 C ATOM 264 C LYS A1502 -11.222 -2.568 0.403 1.00 0.00 C ATOM 265 O LYS A1502 -12.247 -2.858 0.989 1.00 0.00 O ATOM 266 CB LYS A1502 -9.492 -2.429 2.203 1.00 0.00 C ATOM 267 CG LYS A1502 -10.081 -3.221 3.372 1.00 0.00 C ATOM 268 CD LYS A1502 -9.146 -3.123 4.580 1.00 0.00 C ATOM 269 CE LYS A1502 -9.968 -3.170 5.869 1.00 0.00 C ATOM 270 NZ LYS A1502 -10.265 -1.781 6.320 1.00 0.00 N ATOM 0 H LYS A1502 -8.194 -2.054 0.092 1.00 0.00 H new ATOM 0 HA LYS A1502 -9.945 -4.186 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A1502 -8.408 -2.371 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A1502 -9.868 -1.406 2.217 1.00 0.00 H new ATOM 0 HG2 LYS A1502 -11.066 -2.831 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A1502 -10.215 -4.264 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A1502 -8.428 -3.943 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A1502 -8.573 -2.197 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A1502 -10.897 -3.716 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A1502 -9.419 -3.706 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A1502 -10.824 -1.813 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A1502 -9.374 -1.275 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A1502 -10.805 -1.285 5.583 1.00 0.00 H new ATOM 284 N LYS A1503 -11.241 -1.784 -0.656 1.00 0.00 N ATOM 285 CA LYS A1503 -12.538 -1.234 -1.154 1.00 0.00 C ATOM 286 C LYS A1503 -13.082 -2.120 -2.279 1.00 0.00 C ATOM 287 O LYS A1503 -13.640 -1.634 -3.246 1.00 0.00 O ATOM 288 CB LYS A1503 -12.321 0.187 -1.679 1.00 0.00 C ATOM 289 CG LYS A1503 -12.558 1.189 -0.547 1.00 0.00 C ATOM 290 CD LYS A1503 -12.132 2.586 -1.001 1.00 0.00 C ATOM 291 CE LYS A1503 -12.212 3.554 0.180 1.00 0.00 C ATOM 292 NZ LYS A1503 -12.476 4.931 -0.322 1.00 0.00 N ATOM 0 H LYS A1503 -10.417 -1.506 -1.190 1.00 0.00 H new ATOM 0 HA LYS A1503 -13.258 -1.214 -0.336 1.00 0.00 H new ATOM 0 HB2 LYS A1503 -11.308 0.292 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A1503 -13.001 0.389 -2.506 1.00 0.00 H new ATOM 0 HG2 LYS A1503 -13.611 1.192 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A1503 -11.992 0.895 0.337 1.00 0.00 H new ATOM 0 HD2 LYS A1503 -11.115 2.558 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A1503 -12.777 2.929 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A1503 -13.004 3.246 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A1503 -11.279 3.534 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A1503 -12.530 5.589 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A1503 -11.706 5.223 -0.957 1.00 0.00 H new ATOM 0 HZ3 LYS A1503 -13.377 4.944 -0.842 1.00 0.00 H new ATOM 306 N LEU A1504 -12.930 -3.413 -2.156 1.00 0.00 N ATOM 307 CA LEU A1504 -13.441 -4.339 -3.210 1.00 0.00 C ATOM 308 C LEU A1504 -13.281 -5.786 -2.746 1.00 0.00 C ATOM 309 O LEU A1504 -13.026 -6.678 -3.533 1.00 0.00 O ATOM 310 CB LEU A1504 -12.655 -4.121 -4.502 1.00 0.00 C ATOM 311 CG LEU A1504 -11.155 -4.304 -4.239 1.00 0.00 C ATOM 312 CD1 LEU A1504 -10.727 -5.712 -4.660 1.00 0.00 C ATOM 313 CD2 LEU A1504 -10.366 -3.273 -5.049 1.00 0.00 C ATOM 0 H LEU A1504 -12.472 -3.869 -1.367 1.00 0.00 H new ATOM 0 HA LEU A1504 -14.497 -4.137 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A1504 -12.988 -4.826 -5.264 1.00 0.00 H new ATOM 0 HB3 LEU A1504 -12.846 -3.120 -4.889 1.00 0.00 H new ATOM 0 HG LEU A1504 -10.956 -4.166 -3.176 1.00 0.00 H new ATOM 0 HD11 LEU A1504 -9.661 -5.840 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A1504 -11.287 -6.450 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A1504 -10.927 -5.851 -5.722 1.00 0.00 H new ATOM 0 HD21 LEU A1504 -9.300 -3.402 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A1504 -10.568 -3.413 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A1504 -10.667 -2.269 -4.751 1.00 0.00 H new ATOM 325 N GLY A1505 -13.436 -6.020 -1.472 1.00 0.00 N ATOM 326 CA GLY A1505 -13.298 -7.406 -0.933 1.00 0.00 C ATOM 327 C GLY A1505 -14.251 -7.591 0.249 1.00 0.00 C ATOM 328 O GLY A1505 -13.894 -7.352 1.387 1.00 0.00 O ATOM 0 H GLY A1505 -13.654 -5.307 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A1505 -13.522 -8.135 -1.712 1.00 0.00 H new ATOM 0 HA3 GLY A1505 -12.270 -7.584 -0.617 1.00 0.00 H new ATOM 332 N SER A1506 -15.460 -8.017 -0.016 1.00 0.00 N ATOM 333 CA SER A1506 -16.446 -8.221 1.086 1.00 0.00 C ATOM 334 C SER A1506 -17.736 -8.815 0.514 1.00 0.00 C ATOM 335 O SER A1506 -18.824 -8.494 0.954 1.00 0.00 O ATOM 336 CB SER A1506 -16.754 -6.879 1.750 1.00 0.00 C ATOM 337 OG SER A1506 -15.834 -6.659 2.812 1.00 0.00 O ATOM 0 H SER A1506 -15.807 -8.233 -0.951 1.00 0.00 H new ATOM 0 HA SER A1506 -16.028 -8.904 1.825 1.00 0.00 H new ATOM 0 HB2 SER A1506 -16.683 -6.074 1.019 1.00 0.00 H new ATOM 0 HB3 SER A1506 -17.775 -6.874 2.131 1.00 0.00 H new ATOM 0 HG SER A1506 -14.928 -6.572 2.448 1.00 0.00 H new TER 343 SER A1506