USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 477 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 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ -140:sc= 0.753 (180deg=0.46) USER MOD Single : A 2 THR OG1 : rot -20:sc= 0.13 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc=-0.00126 (180deg=-0.0486) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 94:sc= 0.399 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -8:sc= 0.176 USER MOD Single : A 55 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.31) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -4.666 -34.632 6.291 1.00 71.24 N ATOM 2 CA PHE A 1 -3.433 -35.457 6.359 1.00 54.04 C ATOM 3 C PHE A 1 -2.761 -35.610 4.965 1.00 1.12 C ATOM 4 O PHE A 1 -1.530 -35.606 4.864 1.00 20.34 O ATOM 5 CB PHE A 1 -3.752 -36.848 6.983 1.00 4.35 C ATOM 6 CG PHE A 1 -4.794 -37.686 6.219 1.00 61.10 C ATOM 7 CD1 PHE A 1 -6.163 -37.434 6.363 1.00 23.13 C ATOM 8 CD2 PHE A 1 -4.409 -38.718 5.355 1.00 50.12 C ATOM 9 CE1 PHE A 1 -7.102 -38.179 5.676 1.00 43.32 C ATOM 10 CE2 PHE A 1 -5.351 -39.462 4.670 1.00 30.34 C ATOM 11 CZ PHE A 1 -6.696 -39.192 4.831 1.00 12.52 C ATOM 0 H1 PHE A 1 -4.712 -34.008 7.122 1.00 71.24 H new ATOM 0 H2 PHE A 1 -4.651 -34.056 5.426 1.00 71.24 H new ATOM 0 H3 PHE A 1 -5.500 -35.254 6.278 1.00 71.24 H new ATOM 0 HA PHE A 1 -2.719 -34.941 7.000 1.00 54.04 H new ATOM 0 HB2 PHE A 1 -2.826 -37.420 7.048 1.00 4.35 H new ATOM 0 HB3 PHE A 1 -4.107 -36.698 8.003 1.00 4.35 H new ATOM 0 HD1 PHE A 1 -6.491 -36.644 7.022 1.00 23.13 H new ATOM 0 HD2 PHE A 1 -3.360 -38.936 5.222 1.00 50.12 H new ATOM 0 HE1 PHE A 1 -8.154 -37.969 5.800 1.00 43.32 H new ATOM 0 HE2 PHE A 1 -5.035 -40.255 4.008 1.00 30.34 H new ATOM 0 HZ PHE A 1 -7.431 -39.774 4.295 1.00 12.52 H new ATOM 23 N THR A 2 -3.590 -35.740 3.905 1.00 63.40 N ATOM 24 CA THR A 2 -3.132 -36.022 2.519 1.00 22.02 C ATOM 25 C THR A 2 -2.243 -34.892 1.949 1.00 44.35 C ATOM 26 O THR A 2 -2.457 -33.712 2.246 1.00 52.13 O ATOM 27 CB THR A 2 -4.364 -36.263 1.574 1.00 71.11 C ATOM 28 OG1 THR A 2 -5.268 -37.201 2.193 1.00 5.50 O ATOM 29 CG2 THR A 2 -3.951 -36.806 0.191 1.00 73.43 C ATOM 0 H THR A 2 -4.603 -35.652 3.984 1.00 63.40 H new ATOM 0 HA THR A 2 -2.523 -36.925 2.563 1.00 22.02 H new ATOM 0 HB THR A 2 -4.847 -35.298 1.422 1.00 71.11 H new ATOM 0 HG1 THR A 2 -4.791 -37.710 2.881 1.00 5.50 H new ATOM 0 HG21 THR A 2 -4.840 -36.955 -0.422 1.00 73.43 H new ATOM 0 HG22 THR A 2 -3.289 -36.091 -0.298 1.00 73.43 H new ATOM 0 HG23 THR A 2 -3.432 -37.757 0.314 1.00 73.43 H new ATOM 37 N LEU A 3 -1.249 -35.280 1.124 1.00 35.32 N ATOM 38 CA LEU A 3 -0.351 -34.344 0.406 1.00 53.32 C ATOM 39 C LEU A 3 -1.142 -33.363 -0.491 1.00 44.41 C ATOM 40 O LEU A 3 -0.691 -32.248 -0.756 1.00 31.43 O ATOM 41 CB LEU A 3 0.654 -35.157 -0.450 1.00 64.11 C ATOM 42 CG LEU A 3 1.753 -34.337 -1.207 1.00 71.54 C ATOM 43 CD1 LEU A 3 2.655 -33.552 -0.225 1.00 35.44 C ATOM 44 CD2 LEU A 3 2.583 -35.252 -2.136 1.00 42.33 C ATOM 0 H LEU A 3 -1.043 -36.261 0.934 1.00 35.32 H new ATOM 0 HA LEU A 3 0.184 -33.749 1.146 1.00 53.32 H new ATOM 0 HB2 LEU A 3 1.152 -35.876 0.200 1.00 64.11 H new ATOM 0 HB3 LEU A 3 0.090 -35.731 -1.185 1.00 64.11 H new ATOM 0 HG LEU A 3 1.247 -33.601 -1.832 1.00 71.54 H new ATOM 0 HD11 LEU A 3 3.405 -32.995 -0.786 1.00 35.44 H new ATOM 0 HD12 LEU A 3 2.045 -32.858 0.353 1.00 35.44 H new ATOM 0 HD13 LEU A 3 3.151 -34.249 0.451 1.00 35.44 H new ATOM 0 HD21 LEU A 3 3.339 -34.659 -2.650 1.00 42.33 H new ATOM 0 HD22 LEU A 3 3.070 -36.026 -1.543 1.00 42.33 H new ATOM 0 HD23 LEU A 3 1.926 -35.717 -2.871 1.00 42.33 H new ATOM 56 N ILE A 4 -2.336 -33.799 -0.930 1.00 4.24 N ATOM 57 CA ILE A 4 -3.265 -32.956 -1.719 1.00 73.32 C ATOM 58 C ILE A 4 -3.817 -31.795 -0.857 1.00 51.21 C ATOM 59 O ILE A 4 -3.883 -30.663 -1.323 1.00 75.32 O ATOM 60 CB ILE A 4 -4.451 -33.803 -2.318 1.00 1.20 C ATOM 61 CG1 ILE A 4 -3.902 -34.964 -3.212 1.00 61.51 C ATOM 62 CG2 ILE A 4 -5.459 -32.919 -3.113 1.00 33.30 C ATOM 63 CD1 ILE A 4 -3.019 -34.522 -4.373 1.00 4.23 C ATOM 0 H ILE A 4 -2.687 -34.740 -0.751 1.00 4.24 H new ATOM 0 HA ILE A 4 -2.699 -32.538 -2.551 1.00 73.32 H new ATOM 0 HB ILE A 4 -4.997 -34.236 -1.480 1.00 1.20 H new ATOM 0 HG12 ILE A 4 -3.333 -35.649 -2.583 1.00 61.51 H new ATOM 0 HG13 ILE A 4 -4.747 -35.525 -3.611 1.00 61.51 H new ATOM 0 HG21 ILE A 4 -6.259 -33.545 -3.508 1.00 33.30 H new ATOM 0 HG22 ILE A 4 -5.882 -32.164 -2.450 1.00 33.30 H new ATOM 0 HG23 ILE A 4 -4.941 -32.429 -3.938 1.00 33.30 H new ATOM 0 HD11 ILE A 4 -2.688 -35.397 -4.932 1.00 4.23 H new ATOM 0 HD12 ILE A 4 -3.586 -33.864 -5.031 1.00 4.23 H new ATOM 0 HD13 ILE A 4 -2.150 -33.989 -3.987 1.00 4.23 H new ATOM 75 N GLU A 5 -4.171 -32.093 0.409 1.00 13.10 N ATOM 76 CA GLU A 5 -4.634 -31.078 1.394 1.00 41.31 C ATOM 77 C GLU A 5 -3.510 -30.071 1.726 1.00 53.13 C ATOM 78 O GLU A 5 -3.760 -28.877 1.931 1.00 64.13 O ATOM 79 CB GLU A 5 -5.112 -31.768 2.695 1.00 25.03 C ATOM 80 CG GLU A 5 -6.286 -32.747 2.510 1.00 53.31 C ATOM 81 CD GLU A 5 -6.697 -33.442 3.820 1.00 42.43 C ATOM 82 OE1 GLU A 5 -7.291 -32.775 4.690 1.00 32.53 O ATOM 83 OE2 GLU A 5 -6.390 -34.642 4.006 1.00 1.32 O ATOM 0 H GLU A 5 -4.146 -33.041 0.783 1.00 13.10 H new ATOM 0 HA GLU A 5 -5.466 -30.535 0.946 1.00 41.31 H new ATOM 0 HB2 GLU A 5 -4.273 -32.307 3.134 1.00 25.03 H new ATOM 0 HB3 GLU A 5 -5.406 -31.000 3.410 1.00 25.03 H new ATOM 0 HG2 GLU A 5 -7.143 -32.207 2.106 1.00 53.31 H new ATOM 0 HG3 GLU A 5 -6.010 -33.503 1.775 1.00 53.31 H new ATOM 90 N LEU A 6 -2.270 -30.584 1.777 1.00 5.51 N ATOM 91 CA LEU A 6 -1.058 -29.762 1.958 1.00 63.33 C ATOM 92 C LEU A 6 -0.778 -28.896 0.714 1.00 14.21 C ATOM 93 O LEU A 6 -0.287 -27.780 0.829 1.00 74.22 O ATOM 94 CB LEU A 6 0.153 -30.667 2.285 1.00 12.02 C ATOM 95 CG LEU A 6 -0.021 -31.582 3.539 1.00 22.00 C ATOM 96 CD1 LEU A 6 1.187 -32.523 3.736 1.00 73.24 C ATOM 97 CD2 LEU A 6 -0.302 -30.748 4.820 1.00 54.34 C ATOM 0 H LEU A 6 -2.077 -31.582 1.694 1.00 5.51 H new ATOM 0 HA LEU A 6 -1.225 -29.085 2.796 1.00 63.33 H new ATOM 0 HB2 LEU A 6 0.359 -31.298 1.420 1.00 12.02 H new ATOM 0 HB3 LEU A 6 1.029 -30.035 2.434 1.00 12.02 H new ATOM 0 HG LEU A 6 -0.893 -32.210 3.357 1.00 22.00 H new ATOM 0 HD11 LEU A 6 1.026 -33.142 4.619 1.00 73.24 H new ATOM 0 HD12 LEU A 6 1.297 -33.162 2.860 1.00 73.24 H new ATOM 0 HD13 LEU A 6 2.092 -31.930 3.869 1.00 73.24 H new ATOM 0 HD21 LEU A 6 -0.417 -31.418 5.672 1.00 54.34 H new ATOM 0 HD22 LEU A 6 0.531 -30.069 5.002 1.00 54.34 H new ATOM 0 HD23 LEU A 6 -1.217 -30.171 4.685 1.00 54.34 H new ATOM 109 N LEU A 7 -1.110 -29.422 -0.466 1.00 63.04 N ATOM 110 CA LEU A 7 -1.016 -28.681 -1.731 1.00 53.14 C ATOM 111 C LEU A 7 -2.085 -27.548 -1.806 1.00 12.02 C ATOM 112 O LEU A 7 -1.826 -26.495 -2.396 1.00 50.02 O ATOM 113 CB LEU A 7 -1.165 -29.674 -2.911 1.00 23.34 C ATOM 114 CG LEU A 7 -0.834 -29.123 -4.333 1.00 35.05 C ATOM 115 CD1 LEU A 7 0.633 -28.645 -4.420 1.00 74.42 C ATOM 116 CD2 LEU A 7 -1.149 -30.180 -5.417 1.00 74.23 C ATOM 0 H LEU A 7 -1.453 -30.376 -0.575 1.00 63.04 H new ATOM 0 HA LEU A 7 -0.041 -28.198 -1.790 1.00 53.14 H new ATOM 0 HB2 LEU A 7 -0.519 -30.531 -2.719 1.00 23.34 H new ATOM 0 HB3 LEU A 7 -2.191 -30.043 -2.919 1.00 23.34 H new ATOM 0 HG LEU A 7 -1.470 -28.257 -4.516 1.00 35.05 H new ATOM 0 HD11 LEU A 7 0.834 -28.267 -5.422 1.00 74.42 H new ATOM 0 HD12 LEU A 7 0.801 -27.851 -3.692 1.00 74.42 H new ATOM 0 HD13 LEU A 7 1.301 -29.480 -4.207 1.00 74.42 H new ATOM 0 HD21 LEU A 7 -0.911 -29.775 -6.400 1.00 74.23 H new ATOM 0 HD22 LEU A 7 -0.551 -31.074 -5.238 1.00 74.23 H new ATOM 0 HD23 LEU A 7 -2.207 -30.438 -5.377 1.00 74.23 H new ATOM 128 N ILE A 8 -3.285 -27.776 -1.201 1.00 61.05 N ATOM 129 CA ILE A 8 -4.355 -26.767 -1.116 1.00 5.03 C ATOM 130 C ILE A 8 -3.960 -25.603 -0.178 1.00 64.43 C ATOM 131 O ILE A 8 -4.099 -24.443 -0.557 1.00 30.52 O ATOM 132 CB ILE A 8 -5.705 -27.418 -0.616 1.00 42.51 C ATOM 133 CG1 ILE A 8 -6.177 -28.553 -1.576 1.00 43.53 C ATOM 134 CG2 ILE A 8 -6.810 -26.354 -0.457 1.00 71.15 C ATOM 135 CD1 ILE A 8 -7.283 -29.434 -1.024 1.00 13.21 C ATOM 0 H ILE A 8 -3.527 -28.665 -0.763 1.00 61.05 H new ATOM 0 HA ILE A 8 -4.503 -26.368 -2.120 1.00 5.03 H new ATOM 0 HB ILE A 8 -5.511 -27.859 0.362 1.00 42.51 H new ATOM 0 HG12 ILE A 8 -6.521 -28.103 -2.507 1.00 43.53 H new ATOM 0 HG13 ILE A 8 -5.321 -29.181 -1.823 1.00 43.53 H new ATOM 0 HG21 ILE A 8 -7.727 -26.831 -0.112 1.00 71.15 H new ATOM 0 HG22 ILE A 8 -6.494 -25.607 0.271 1.00 71.15 H new ATOM 0 HG23 ILE A 8 -6.991 -25.871 -1.417 1.00 71.15 H new ATOM 0 HD11 ILE A 8 -7.545 -30.193 -1.761 1.00 13.21 H new ATOM 0 HD12 ILE A 8 -6.940 -29.918 -0.110 1.00 13.21 H new ATOM 0 HD13 ILE A 8 -8.159 -28.824 -0.805 1.00 13.21 H new ATOM 147 N VAL A 9 -3.476 -25.924 1.047 1.00 61.12 N ATOM 148 CA VAL A 9 -3.078 -24.910 2.038 1.00 2.40 C ATOM 149 C VAL A 9 -1.889 -24.050 1.538 1.00 23.41 C ATOM 150 O VAL A 9 -1.845 -22.834 1.766 1.00 55.23 O ATOM 151 CB VAL A 9 -2.765 -25.567 3.434 1.00 20.11 C ATOM 152 CG1 VAL A 9 -1.493 -26.441 3.432 1.00 4.40 C ATOM 153 CG2 VAL A 9 -2.717 -24.504 4.542 1.00 33.11 C ATOM 0 H VAL A 9 -3.354 -26.885 1.368 1.00 61.12 H new ATOM 0 HA VAL A 9 -3.926 -24.238 2.171 1.00 2.40 H new ATOM 0 HB VAL A 9 -3.589 -26.249 3.643 1.00 20.11 H new ATOM 0 HG11 VAL A 9 -1.339 -26.861 4.426 1.00 4.40 H new ATOM 0 HG12 VAL A 9 -1.608 -27.249 2.710 1.00 4.40 H new ATOM 0 HG13 VAL A 9 -0.632 -25.830 3.159 1.00 4.40 H new ATOM 0 HG21 VAL A 9 -2.499 -24.983 5.497 1.00 33.11 H new ATOM 0 HG22 VAL A 9 -1.938 -23.777 4.315 1.00 33.11 H new ATOM 0 HG23 VAL A 9 -3.680 -23.997 4.602 1.00 33.11 H new ATOM 163 N VAL A 10 -0.942 -24.695 0.840 1.00 50.05 N ATOM 164 CA VAL A 10 0.166 -24.005 0.157 1.00 44.23 C ATOM 165 C VAL A 10 -0.336 -23.135 -1.027 1.00 20.00 C ATOM 166 O VAL A 10 0.189 -22.038 -1.250 1.00 75.21 O ATOM 167 CB VAL A 10 1.259 -25.056 -0.290 1.00 70.30 C ATOM 168 CG1 VAL A 10 2.296 -24.472 -1.265 1.00 31.13 C ATOM 169 CG2 VAL A 10 1.963 -25.658 0.950 1.00 73.42 C ATOM 0 H VAL A 10 -0.922 -25.709 0.732 1.00 50.05 H new ATOM 0 HA VAL A 10 0.630 -23.313 0.860 1.00 44.23 H new ATOM 0 HB VAL A 10 0.734 -25.843 -0.831 1.00 70.30 H new ATOM 0 HG11 VAL A 10 3.018 -25.243 -1.533 1.00 31.13 H new ATOM 0 HG12 VAL A 10 1.791 -24.119 -2.164 1.00 31.13 H new ATOM 0 HG13 VAL A 10 2.814 -23.640 -0.789 1.00 31.13 H new ATOM 0 HG21 VAL A 10 2.713 -26.380 0.628 1.00 73.42 H new ATOM 0 HG22 VAL A 10 2.446 -24.862 1.517 1.00 73.42 H new ATOM 0 HG23 VAL A 10 1.227 -26.157 1.580 1.00 73.42 H new ATOM 179 N ALA A 11 -1.368 -23.608 -1.760 1.00 71.13 N ATOM 180 CA ALA A 11 -1.955 -22.846 -2.891 1.00 15.22 C ATOM 181 C ALA A 11 -2.667 -21.561 -2.410 1.00 74.44 C ATOM 182 O ALA A 11 -2.313 -20.459 -2.837 1.00 32.41 O ATOM 183 CB ALA A 11 -2.919 -23.733 -3.695 1.00 34.54 C ATOM 0 H ALA A 11 -1.812 -24.511 -1.592 1.00 71.13 H new ATOM 0 HA ALA A 11 -1.136 -22.540 -3.541 1.00 15.22 H new ATOM 0 HB1 ALA A 11 -3.340 -23.158 -4.520 1.00 34.54 H new ATOM 0 HB2 ALA A 11 -2.378 -24.593 -4.091 1.00 34.54 H new ATOM 0 HB3 ALA A 11 -3.724 -24.078 -3.045 1.00 34.54 H new ATOM 189 N ILE A 12 -3.648 -21.715 -1.487 1.00 50.30 N ATOM 190 CA ILE A 12 -4.482 -20.595 -1.005 1.00 3.11 C ATOM 191 C ILE A 12 -3.629 -19.486 -0.341 1.00 32.13 C ATOM 192 O ILE A 12 -3.709 -18.331 -0.756 1.00 51.24 O ATOM 193 CB ILE A 12 -5.632 -21.092 -0.039 1.00 24.44 C ATOM 194 CG1 ILE A 12 -5.068 -21.786 1.246 1.00 41.04 C ATOM 195 CG2 ILE A 12 -6.599 -22.038 -0.794 1.00 10.22 C ATOM 196 CD1 ILE A 12 -6.115 -22.295 2.221 1.00 61.42 C ATOM 0 H ILE A 12 -3.879 -22.613 -1.061 1.00 50.30 H new ATOM 0 HA ILE A 12 -4.959 -20.157 -1.882 1.00 3.11 H new ATOM 0 HB ILE A 12 -6.183 -20.211 0.291 1.00 24.44 H new ATOM 0 HG12 ILE A 12 -4.441 -22.624 0.941 1.00 41.04 H new ATOM 0 HG13 ILE A 12 -4.423 -21.079 1.767 1.00 41.04 H new ATOM 0 HG21 ILE A 12 -7.385 -22.372 -0.116 1.00 10.22 H new ATOM 0 HG22 ILE A 12 -7.046 -21.506 -1.634 1.00 10.22 H new ATOM 0 HG23 ILE A 12 -6.048 -22.902 -1.164 1.00 10.22 H new ATOM 0 HD11 ILE A 12 -5.622 -22.758 3.076 1.00 61.42 H new ATOM 0 HD12 ILE A 12 -6.729 -21.462 2.564 1.00 61.42 H new ATOM 0 HD13 ILE A 12 -6.747 -23.031 1.724 1.00 61.42 H new ATOM 208 N ILE A 13 -2.742 -19.861 0.620 1.00 20.35 N ATOM 209 CA ILE A 13 -1.877 -18.912 1.348 1.00 14.33 C ATOM 210 C ILE A 13 -0.798 -18.340 0.398 1.00 0.51 C ATOM 211 O ILE A 13 -0.382 -17.177 0.534 1.00 32.03 O ATOM 212 CB ILE A 13 -1.225 -19.617 2.601 1.00 63.23 C ATOM 213 CG1 ILE A 13 -2.331 -20.068 3.618 1.00 33.11 C ATOM 214 CG2 ILE A 13 -0.171 -18.721 3.297 1.00 32.21 C ATOM 215 CD1 ILE A 13 -1.818 -20.835 4.833 1.00 4.12 C ATOM 0 H ILE A 13 -2.612 -20.831 0.906 1.00 20.35 H new ATOM 0 HA ILE A 13 -2.482 -18.081 1.710 1.00 14.33 H new ATOM 0 HB ILE A 13 -0.701 -20.501 2.237 1.00 63.23 H new ATOM 0 HG12 ILE A 13 -2.866 -19.184 3.965 1.00 33.11 H new ATOM 0 HG13 ILE A 13 -3.054 -20.692 3.092 1.00 33.11 H new ATOM 0 HG21 ILE A 13 0.248 -19.250 4.153 1.00 32.21 H new ATOM 0 HG22 ILE A 13 0.625 -18.482 2.592 1.00 32.21 H new ATOM 0 HG23 ILE A 13 -0.644 -17.800 3.637 1.00 32.21 H new ATOM 0 HD11 ILE A 13 -2.657 -21.102 5.475 1.00 4.12 H new ATOM 0 HD12 ILE A 13 -1.310 -21.741 4.503 1.00 4.12 H new ATOM 0 HD13 ILE A 13 -1.120 -20.210 5.390 1.00 4.12 H new ATOM 227 N GLY A 14 -0.385 -19.163 -0.588 1.00 31.22 N ATOM 228 CA GLY A 14 0.537 -18.735 -1.639 1.00 1.35 C ATOM 229 C GLY A 14 -0.004 -17.589 -2.497 1.00 12.12 C ATOM 230 O GLY A 14 0.762 -16.733 -2.932 1.00 73.02 O ATOM 0 H GLY A 14 -0.684 -20.135 -0.671 1.00 31.22 H new ATOM 0 HA2 GLY A 14 1.477 -18.424 -1.182 1.00 1.35 H new ATOM 0 HA3 GLY A 14 0.762 -19.585 -2.283 1.00 1.35 H new ATOM 234 N ILE A 15 -1.337 -17.572 -2.730 1.00 50.00 N ATOM 235 CA ILE A 15 -2.012 -16.476 -3.458 1.00 61.33 C ATOM 236 C ILE A 15 -2.236 -15.274 -2.517 1.00 61.03 C ATOM 237 O ILE A 15 -1.957 -14.141 -2.906 1.00 42.44 O ATOM 238 CB ILE A 15 -3.374 -16.956 -4.134 1.00 11.15 C ATOM 239 CG1 ILE A 15 -3.119 -17.617 -5.536 1.00 33.43 C ATOM 240 CG2 ILE A 15 -4.415 -15.807 -4.276 1.00 41.01 C ATOM 241 CD1 ILE A 15 -2.291 -18.890 -5.534 1.00 23.21 C ATOM 0 H ILE A 15 -1.969 -18.311 -2.421 1.00 50.00 H new ATOM 0 HA ILE A 15 -1.360 -16.160 -4.272 1.00 61.33 H new ATOM 0 HB ILE A 15 -3.794 -17.702 -3.459 1.00 11.15 H new ATOM 0 HG12 ILE A 15 -4.084 -17.836 -5.992 1.00 33.43 H new ATOM 0 HG13 ILE A 15 -2.623 -16.886 -6.175 1.00 33.43 H new ATOM 0 HG21 ILE A 15 -5.321 -16.193 -4.742 1.00 41.01 H new ATOM 0 HG22 ILE A 15 -4.655 -15.410 -3.290 1.00 41.01 H new ATOM 0 HG23 ILE A 15 -3.998 -15.013 -4.895 1.00 41.01 H new ATOM 0 HD11 ILE A 15 -2.181 -19.254 -6.555 1.00 23.21 H new ATOM 0 HD12 ILE A 15 -1.306 -18.683 -5.115 1.00 23.21 H new ATOM 0 HD13 ILE A 15 -2.790 -19.648 -4.930 1.00 23.21 H new ATOM 253 N LEU A 16 -2.709 -15.542 -1.271 1.00 74.14 N ATOM 254 CA LEU A 16 -2.984 -14.485 -0.261 1.00 5.12 C ATOM 255 C LEU A 16 -1.744 -13.596 -0.027 1.00 64.43 C ATOM 256 O LEU A 16 -1.857 -12.374 0.042 1.00 63.13 O ATOM 257 CB LEU A 16 -3.435 -15.090 1.108 1.00 53.02 C ATOM 258 CG LEU A 16 -4.667 -16.056 1.104 1.00 12.22 C ATOM 259 CD1 LEU A 16 -5.139 -16.395 2.536 1.00 41.41 C ATOM 260 CD2 LEU A 16 -5.823 -15.529 0.228 1.00 35.10 C ATOM 0 H LEU A 16 -2.909 -16.486 -0.941 1.00 74.14 H new ATOM 0 HA LEU A 16 -3.796 -13.880 -0.665 1.00 5.12 H new ATOM 0 HB2 LEU A 16 -2.588 -15.628 1.533 1.00 53.02 H new ATOM 0 HB3 LEU A 16 -3.658 -14.264 1.783 1.00 53.02 H new ATOM 0 HG LEU A 16 -4.330 -16.987 0.649 1.00 12.22 H new ATOM 0 HD11 LEU A 16 -5.995 -17.067 2.487 1.00 41.41 H new ATOM 0 HD12 LEU A 16 -4.329 -16.879 3.081 1.00 41.41 H new ATOM 0 HD13 LEU A 16 -5.426 -15.478 3.051 1.00 41.41 H new ATOM 0 HD21 LEU A 16 -6.653 -16.234 0.258 1.00 35.10 H new ATOM 0 HD22 LEU A 16 -6.154 -14.562 0.606 1.00 35.10 H new ATOM 0 HD23 LEU A 16 -5.479 -15.418 -0.800 1.00 35.10 H new ATOM 272 N ALA A 17 -0.572 -14.232 0.062 1.00 34.21 N ATOM 273 CA ALA A 17 0.709 -13.541 0.269 1.00 12.43 C ATOM 274 C ALA A 17 1.213 -12.881 -1.040 1.00 2.40 C ATOM 275 O ALA A 17 1.552 -11.700 -1.047 1.00 75.42 O ATOM 276 CB ALA A 17 1.741 -14.525 0.829 1.00 14.33 C ATOM 0 H ALA A 17 -0.482 -15.246 -0.008 1.00 34.21 H new ATOM 0 HA ALA A 17 0.560 -12.739 0.992 1.00 12.43 H new ATOM 0 HB1 ALA A 17 2.689 -14.010 0.981 1.00 14.33 H new ATOM 0 HB2 ALA A 17 1.387 -14.922 1.780 1.00 14.33 H new ATOM 0 HB3 ALA A 17 1.882 -15.344 0.124 1.00 14.33 H new ATOM 282 N ALA A 18 1.215 -13.645 -2.151 1.00 31.44 N ATOM 283 CA ALA A 18 1.693 -13.163 -3.481 1.00 14.23 C ATOM 284 C ALA A 18 0.969 -11.882 -3.961 1.00 44.40 C ATOM 285 O ALA A 18 1.539 -11.114 -4.741 1.00 25.12 O ATOM 286 CB ALA A 18 1.571 -14.265 -4.546 1.00 20.00 C ATOM 0 H ALA A 18 0.888 -14.611 -2.161 1.00 31.44 H new ATOM 0 HA ALA A 18 2.744 -12.906 -3.345 1.00 14.23 H new ATOM 0 HB1 ALA A 18 1.926 -13.886 -5.504 1.00 20.00 H new ATOM 0 HB2 ALA A 18 2.172 -15.125 -4.251 1.00 20.00 H new ATOM 0 HB3 ALA A 18 0.528 -14.567 -4.639 1.00 20.00 H new ATOM 292 N ILE A 19 -0.285 -11.668 -3.513 1.00 63.54 N ATOM 293 CA ILE A 19 -1.019 -10.410 -3.782 1.00 64.13 C ATOM 294 C ILE A 19 -0.791 -9.360 -2.679 1.00 32.02 C ATOM 295 O ILE A 19 -0.691 -8.182 -2.979 1.00 71.50 O ATOM 296 CB ILE A 19 -2.556 -10.648 -4.049 1.00 22.01 C ATOM 297 CG1 ILE A 19 -3.309 -11.323 -2.846 1.00 24.03 C ATOM 298 CG2 ILE A 19 -2.747 -11.459 -5.350 1.00 2.24 C ATOM 299 CD1 ILE A 19 -3.848 -10.357 -1.808 1.00 2.24 C ATOM 0 H ILE A 19 -0.812 -12.348 -2.964 1.00 63.54 H new ATOM 0 HA ILE A 19 -0.601 -10.007 -4.704 1.00 64.13 H new ATOM 0 HB ILE A 19 -3.011 -9.664 -4.162 1.00 22.01 H new ATOM 0 HG12 ILE A 19 -4.138 -11.911 -3.239 1.00 24.03 H new ATOM 0 HG13 ILE A 19 -2.629 -12.019 -2.355 1.00 24.03 H new ATOM 0 HG21 ILE A 19 -3.811 -11.619 -5.526 1.00 2.24 H new ATOM 0 HG22 ILE A 19 -2.319 -10.909 -6.188 1.00 2.24 H new ATOM 0 HG23 ILE A 19 -2.246 -12.423 -5.255 1.00 2.24 H new ATOM 0 HD11 ILE A 19 -4.351 -10.915 -1.018 1.00 2.24 H new ATOM 0 HD12 ILE A 19 -3.024 -9.785 -1.381 1.00 2.24 H new ATOM 0 HD13 ILE A 19 -4.557 -9.676 -2.278 1.00 2.24 H new ATOM 311 N ALA A 20 -0.677 -9.809 -1.419 1.00 41.35 N ATOM 312 CA ALA A 20 -0.614 -8.912 -0.239 1.00 30.43 C ATOM 313 C ALA A 20 0.679 -8.092 -0.211 1.00 50.51 C ATOM 314 O ALA A 20 0.630 -6.893 0.014 1.00 11.43 O ATOM 315 CB ALA A 20 -0.767 -9.711 1.062 1.00 23.32 C ATOM 0 H ALA A 20 -0.626 -10.800 -1.183 1.00 41.35 H new ATOM 0 HA ALA A 20 -1.446 -8.213 -0.323 1.00 30.43 H new ATOM 0 HB1 ALA A 20 -0.718 -9.032 1.914 1.00 23.32 H new ATOM 0 HB2 ALA A 20 -1.728 -10.225 1.063 1.00 23.32 H new ATOM 0 HB3 ALA A 20 0.036 -10.444 1.135 1.00 23.32 H new ATOM 321 N ILE A 21 1.818 -8.753 -0.460 1.00 60.34 N ATOM 322 CA ILE A 21 3.149 -8.112 -0.408 1.00 13.54 C ATOM 323 C ILE A 21 3.279 -6.915 -1.417 1.00 23.21 C ATOM 324 O ILE A 21 3.635 -5.817 -0.984 1.00 60.40 O ATOM 325 CB ILE A 21 4.323 -9.183 -0.555 1.00 34.45 C ATOM 326 CG1 ILE A 21 4.558 -9.969 0.785 1.00 31.42 C ATOM 327 CG2 ILE A 21 5.640 -8.535 -1.047 1.00 31.00 C ATOM 328 CD1 ILE A 21 3.457 -10.923 1.216 1.00 3.55 C ATOM 0 H ILE A 21 1.848 -9.743 -0.703 1.00 60.34 H new ATOM 0 HA ILE A 21 3.255 -7.671 0.583 1.00 13.54 H new ATOM 0 HB ILE A 21 4.003 -9.897 -1.314 1.00 34.45 H new ATOM 0 HG12 ILE A 21 5.483 -10.537 0.689 1.00 31.42 H new ATOM 0 HG13 ILE A 21 4.712 -9.243 1.583 1.00 31.42 H new ATOM 0 HG21 ILE A 21 6.412 -9.300 -1.133 1.00 31.00 H new ATOM 0 HG22 ILE A 21 5.477 -8.073 -2.021 1.00 31.00 H new ATOM 0 HG23 ILE A 21 5.960 -7.775 -0.334 1.00 31.00 H new ATOM 0 HD11 ILE A 21 3.738 -11.403 2.153 1.00 3.55 H new ATOM 0 HD12 ILE A 21 2.529 -10.368 1.356 1.00 3.55 H new ATOM 0 HD13 ILE A 21 3.313 -11.683 0.448 1.00 3.55 H new ATOM 340 N PRO A 22 2.982 -7.069 -2.757 1.00 71.23 N ATOM 341 CA PRO A 22 2.960 -5.909 -3.700 1.00 43.13 C ATOM 342 C PRO A 22 1.822 -4.896 -3.408 1.00 42.10 C ATOM 343 O PRO A 22 2.002 -3.697 -3.586 1.00 20.42 O ATOM 344 CB PRO A 22 2.753 -6.559 -5.081 1.00 22.10 C ATOM 345 CG PRO A 22 2.100 -7.871 -4.781 1.00 24.34 C ATOM 346 CD PRO A 22 2.709 -8.339 -3.482 1.00 23.44 C ATOM 0 HA PRO A 22 3.876 -5.324 -3.617 1.00 43.13 H new ATOM 0 HB2 PRO A 22 2.125 -5.940 -5.721 1.00 22.10 H new ATOM 0 HB3 PRO A 22 3.701 -6.697 -5.601 1.00 22.10 H new ATOM 0 HG2 PRO A 22 1.020 -7.759 -4.690 1.00 24.34 H new ATOM 0 HG3 PRO A 22 2.280 -8.590 -5.580 1.00 24.34 H new ATOM 0 HD2 PRO A 22 2.026 -8.981 -2.926 1.00 23.44 H new ATOM 0 HD3 PRO A 22 3.621 -8.912 -3.648 1.00 23.44 H new ATOM 354 N GLN A 23 0.648 -5.403 -2.984 1.00 45.31 N ATOM 355 CA GLN A 23 -0.553 -4.558 -2.702 1.00 43.22 C ATOM 356 C GLN A 23 -0.313 -3.637 -1.490 1.00 22.11 C ATOM 357 O GLN A 23 -0.828 -2.520 -1.425 1.00 63.23 O ATOM 358 CB GLN A 23 -1.795 -5.466 -2.458 1.00 12.33 C ATOM 359 CG GLN A 23 -3.098 -4.736 -2.077 1.00 71.03 C ATOM 360 CD GLN A 23 -4.284 -5.693 -1.907 1.00 22.00 C ATOM 361 OE1 GLN A 23 -5.036 -5.946 -2.838 1.00 3.02 O ATOM 362 NE2 GLN A 23 -4.441 -6.248 -0.719 1.00 70.03 N ATOM 0 H GLN A 23 0.495 -6.399 -2.825 1.00 45.31 H new ATOM 0 HA GLN A 23 -0.739 -3.925 -3.570 1.00 43.22 H new ATOM 0 HB2 GLN A 23 -1.978 -6.048 -3.361 1.00 12.33 H new ATOM 0 HB3 GLN A 23 -1.553 -6.174 -1.666 1.00 12.33 H new ATOM 0 HG2 GLN A 23 -2.944 -4.187 -1.148 1.00 71.03 H new ATOM 0 HG3 GLN A 23 -3.336 -4.001 -2.846 1.00 71.03 H new ATOM 0 HE21 GLN A 23 -3.799 -6.019 0.040 1.00 70.03 H new ATOM 0 HE22 GLN A 23 -5.204 -6.906 -0.560 1.00 70.03 H new ATOM 371 N PHE A 24 0.508 -4.125 -0.561 1.00 65.44 N ATOM 372 CA PHE A 24 0.813 -3.427 0.718 1.00 10.01 C ATOM 373 C PHE A 24 2.052 -2.524 0.566 1.00 25.42 C ATOM 374 O PHE A 24 2.081 -1.414 1.097 1.00 50.44 O ATOM 375 CB PHE A 24 1.028 -4.465 1.837 1.00 12.33 C ATOM 376 CG PHE A 24 1.298 -3.894 3.232 1.00 33.33 C ATOM 377 CD1 PHE A 24 0.290 -3.231 3.936 1.00 61.31 C ATOM 378 CD2 PHE A 24 2.546 -4.039 3.848 1.00 35.13 C ATOM 379 CE1 PHE A 24 0.523 -2.728 5.200 1.00 15.10 C ATOM 380 CE2 PHE A 24 2.777 -3.533 5.112 1.00 2.35 C ATOM 381 CZ PHE A 24 1.765 -2.882 5.790 1.00 53.42 C ATOM 0 H PHE A 24 0.990 -5.019 -0.661 1.00 65.44 H new ATOM 0 HA PHE A 24 -0.032 -2.791 0.983 1.00 10.01 H new ATOM 0 HB2 PHE A 24 0.145 -5.102 1.890 1.00 12.33 H new ATOM 0 HB3 PHE A 24 1.866 -5.104 1.558 1.00 12.33 H new ATOM 0 HD1 PHE A 24 -0.684 -3.110 3.485 1.00 61.31 H new ATOM 0 HD2 PHE A 24 3.340 -4.554 3.328 1.00 35.13 H new ATOM 0 HE1 PHE A 24 -0.265 -2.213 5.729 1.00 15.10 H new ATOM 0 HE2 PHE A 24 3.748 -3.646 5.570 1.00 2.35 H new ATOM 0 HZ PHE A 24 1.943 -2.493 6.782 1.00 53.42 H new ATOM 391 N SER A 25 3.068 -3.021 -0.160 1.00 3.54 N ATOM 392 CA SER A 25 4.279 -2.242 -0.498 1.00 64.45 C ATOM 393 C SER A 25 3.894 -0.997 -1.318 1.00 53.44 C ATOM 394 O SER A 25 4.166 0.130 -0.909 1.00 2.04 O ATOM 395 CB SER A 25 5.289 -3.115 -1.281 1.00 50.31 C ATOM 396 OG SER A 25 6.460 -2.391 -1.633 1.00 42.33 O ATOM 0 H SER A 25 3.076 -3.972 -0.530 1.00 3.54 H new ATOM 0 HA SER A 25 4.755 -1.919 0.428 1.00 64.45 H new ATOM 0 HB2 SER A 25 5.565 -3.979 -0.677 1.00 50.31 H new ATOM 0 HB3 SER A 25 4.814 -3.497 -2.185 1.00 50.31 H new ATOM 0 HG SER A 25 7.072 -2.978 -2.124 1.00 42.33 H new ATOM 402 N ALA A 26 3.186 -1.230 -2.443 1.00 63.11 N ATOM 403 CA ALA A 26 2.674 -0.158 -3.331 1.00 44.31 C ATOM 404 C ALA A 26 1.617 0.733 -2.636 1.00 74.34 C ATOM 405 O ALA A 26 1.404 1.879 -3.059 1.00 44.24 O ATOM 406 CB ALA A 26 2.107 -0.751 -4.625 1.00 3.22 C ATOM 0 H ALA A 26 2.951 -2.169 -2.765 1.00 63.11 H new ATOM 0 HA ALA A 26 3.522 0.482 -3.575 1.00 44.31 H new ATOM 0 HB1 ALA A 26 1.737 0.052 -5.262 1.00 3.22 H new ATOM 0 HB2 ALA A 26 2.891 -1.297 -5.149 1.00 3.22 H new ATOM 0 HB3 ALA A 26 1.289 -1.431 -4.386 1.00 3.22 H new ATOM 412 N TYR A 27 0.953 0.209 -1.576 1.00 53.24 N ATOM 413 CA TYR A 27 0.035 1.016 -0.741 1.00 44.32 C ATOM 414 C TYR A 27 0.824 2.087 0.034 1.00 63.13 C ATOM 415 O TYR A 27 0.439 3.255 0.074 1.00 4.54 O ATOM 416 CB TYR A 27 -0.726 0.126 0.263 1.00 12.53 C ATOM 417 CG TYR A 27 -1.766 0.878 1.115 1.00 22.11 C ATOM 418 CD1 TYR A 27 -3.031 1.181 0.601 1.00 41.02 C ATOM 419 CD2 TYR A 27 -1.482 1.306 2.424 1.00 64.25 C ATOM 420 CE1 TYR A 27 -3.962 1.877 1.346 1.00 4.12 C ATOM 421 CE2 TYR A 27 -2.416 2.001 3.170 1.00 52.31 C ATOM 422 CZ TYR A 27 -3.655 2.282 2.629 1.00 1.50 C ATOM 423 OH TYR A 27 -4.592 2.981 3.368 1.00 43.51 O ATOM 0 H TYR A 27 1.037 -0.764 -1.282 1.00 53.24 H new ATOM 0 HA TYR A 27 -0.684 1.496 -1.405 1.00 44.32 H new ATOM 0 HB2 TYR A 27 -1.230 -0.671 -0.285 1.00 12.53 H new ATOM 0 HB3 TYR A 27 -0.005 -0.350 0.927 1.00 12.53 H new ATOM 0 HD1 TYR A 27 -3.285 0.864 -0.400 1.00 41.02 H new ATOM 0 HD2 TYR A 27 -0.516 1.088 2.855 1.00 64.25 H new ATOM 0 HE1 TYR A 27 -4.930 2.104 0.925 1.00 4.12 H new ATOM 0 HE2 TYR A 27 -2.177 2.323 4.173 1.00 52.31 H new ATOM 0 HH TYR A 27 -4.222 3.192 4.250 1.00 43.51 H new ATOM 433 N ARG A 28 1.925 1.644 0.660 1.00 65.00 N ATOM 434 CA ARG A 28 2.813 2.517 1.449 1.00 22.13 C ATOM 435 C ARG A 28 3.636 3.446 0.535 1.00 0.22 C ATOM 436 O ARG A 28 4.089 4.514 0.971 1.00 42.33 O ATOM 437 CB ARG A 28 3.737 1.661 2.346 1.00 3.02 C ATOM 438 CG ARG A 28 2.973 0.736 3.323 1.00 20.02 C ATOM 439 CD ARG A 28 3.898 -0.011 4.293 1.00 34.31 C ATOM 440 NE ARG A 28 4.632 0.920 5.172 1.00 4.15 N ATOM 441 CZ ARG A 28 4.726 0.836 6.485 1.00 24.34 C ATOM 442 NH1 ARG A 28 4.166 -0.131 7.146 1.00 2.30 N ATOM 443 NH2 ARG A 28 5.371 1.743 7.131 1.00 43.54 N ATOM 0 H ARG A 28 2.227 0.670 0.634 1.00 65.00 H new ATOM 0 HA ARG A 28 2.197 3.150 2.088 1.00 22.13 H new ATOM 0 HB2 ARG A 28 4.381 1.052 1.712 1.00 3.02 H new ATOM 0 HB3 ARG A 28 4.387 2.322 2.919 1.00 3.02 H new ATOM 0 HG2 ARG A 28 2.261 1.331 3.895 1.00 20.02 H new ATOM 0 HG3 ARG A 28 2.395 0.011 2.750 1.00 20.02 H new ATOM 0 HD2 ARG A 28 3.310 -0.698 4.901 1.00 34.31 H new ATOM 0 HD3 ARG A 28 4.608 -0.614 3.727 1.00 34.31 H new ATOM 0 HE ARG A 28 5.111 1.701 4.723 1.00 4.15 H new ATOM 0 HH11 ARG A 28 3.638 -0.849 6.650 1.00 2.30 H new ATOM 0 HH12 ARG A 28 4.254 -0.173 8.161 1.00 2.30 H new ATOM 0 HH21 ARG A 28 5.804 2.517 6.628 1.00 43.54 H new ATOM 0 HH22 ARG A 28 5.450 1.687 8.146 1.00 43.54 H new ATOM 457 N VAL A 29 3.810 3.033 -0.738 1.00 3.45 N ATOM 458 CA VAL A 29 4.461 3.879 -1.767 1.00 52.40 C ATOM 459 C VAL A 29 3.550 5.064 -2.123 1.00 63.15 C ATOM 460 O VAL A 29 3.976 6.217 -2.075 1.00 15.42 O ATOM 461 CB VAL A 29 4.854 3.072 -3.069 1.00 43.23 C ATOM 462 CG1 VAL A 29 5.343 4.003 -4.215 1.00 33.33 C ATOM 463 CG2 VAL A 29 5.926 2.004 -2.755 1.00 51.45 C ATOM 0 H VAL A 29 3.510 2.120 -1.080 1.00 3.45 H new ATOM 0 HA VAL A 29 5.393 4.247 -1.338 1.00 52.40 H new ATOM 0 HB VAL A 29 3.948 2.574 -3.414 1.00 43.23 H new ATOM 0 HG11 VAL A 29 5.601 3.402 -5.087 1.00 33.33 H new ATOM 0 HG12 VAL A 29 4.550 4.703 -4.478 1.00 33.33 H new ATOM 0 HG13 VAL A 29 6.221 4.557 -3.884 1.00 33.33 H new ATOM 0 HG21 VAL A 29 6.179 1.463 -3.667 1.00 51.45 H new ATOM 0 HG22 VAL A 29 6.819 2.490 -2.362 1.00 51.45 H new ATOM 0 HG23 VAL A 29 5.537 1.305 -2.015 1.00 51.45 H new ATOM 473 N LYS A 30 2.280 4.762 -2.434 1.00 11.30 N ATOM 474 CA LYS A 30 1.268 5.792 -2.776 1.00 50.43 C ATOM 475 C LYS A 30 0.766 6.546 -1.517 1.00 71.44 C ATOM 476 O LYS A 30 0.112 7.573 -1.632 1.00 31.21 O ATOM 477 CB LYS A 30 0.071 5.168 -3.535 1.00 51.53 C ATOM 478 CG LYS A 30 -0.858 4.298 -2.668 1.00 62.20 C ATOM 479 CD LYS A 30 -2.011 3.648 -3.460 1.00 51.23 C ATOM 480 CE LYS A 30 -3.001 4.677 -4.042 1.00 1.23 C ATOM 481 NZ LYS A 30 -3.690 5.464 -2.984 1.00 21.13 N ATOM 0 H LYS A 30 1.921 3.808 -2.458 1.00 11.30 H new ATOM 0 HA LYS A 30 1.758 6.514 -3.429 1.00 50.43 H new ATOM 0 HB2 LYS A 30 -0.517 5.970 -3.981 1.00 51.53 H new ATOM 0 HB3 LYS A 30 0.455 4.560 -4.355 1.00 51.53 H new ATOM 0 HG2 LYS A 30 -0.268 3.515 -2.192 1.00 62.20 H new ATOM 0 HG3 LYS A 30 -1.277 4.911 -1.870 1.00 62.20 H new ATOM 0 HD2 LYS A 30 -1.595 3.053 -4.273 1.00 51.23 H new ATOM 0 HD3 LYS A 30 -2.551 2.962 -2.807 1.00 51.23 H new ATOM 0 HE2 LYS A 30 -2.466 5.356 -4.706 1.00 1.23 H new ATOM 0 HE3 LYS A 30 -3.745 4.159 -4.648 1.00 1.23 H new ATOM 0 HZ1 LYS A 30 -4.428 6.056 -3.417 1.00 21.13 H new ATOM 0 HZ2 LYS A 30 -4.125 4.816 -2.297 1.00 21.13 H new ATOM 0 HZ3 LYS A 30 -3.000 6.071 -2.498 1.00 21.13 H new ATOM 495 N ALA A 31 1.054 6.016 -0.315 1.00 34.41 N ATOM 496 CA ALA A 31 0.771 6.730 0.951 1.00 54.30 C ATOM 497 C ALA A 31 1.790 7.867 1.141 1.00 65.11 C ATOM 498 O ALA A 31 1.446 8.986 1.527 1.00 44.52 O ATOM 499 CB ALA A 31 0.798 5.752 2.140 1.00 64.41 C ATOM 0 H ALA A 31 1.481 5.098 -0.190 1.00 34.41 H new ATOM 0 HA ALA A 31 -0.228 7.164 0.904 1.00 54.30 H new ATOM 0 HB1 ALA A 31 0.588 6.294 3.062 1.00 64.41 H new ATOM 0 HB2 ALA A 31 0.043 4.980 1.993 1.00 64.41 H new ATOM 0 HB3 ALA A 31 1.782 5.289 2.208 1.00 64.41 H new ATOM 505 N TYR A 32 3.051 7.562 0.803 1.00 63.31 N ATOM 506 CA TYR A 32 4.176 8.515 0.928 1.00 41.52 C ATOM 507 C TYR A 32 4.296 9.414 -0.313 1.00 24.03 C ATOM 508 O TYR A 32 4.940 10.461 -0.284 1.00 61.02 O ATOM 509 CB TYR A 32 5.484 7.732 1.171 1.00 73.31 C ATOM 510 CG TYR A 32 6.659 8.605 1.656 1.00 53.12 C ATOM 511 CD1 TYR A 32 6.662 9.152 2.944 1.00 3.50 C ATOM 512 CD2 TYR A 32 7.747 8.899 0.826 1.00 3.14 C ATOM 513 CE1 TYR A 32 7.703 9.952 3.382 1.00 24.51 C ATOM 514 CE2 TYR A 32 8.786 9.699 1.261 1.00 70.34 C ATOM 515 CZ TYR A 32 8.762 10.222 2.538 1.00 13.21 C ATOM 516 OH TYR A 32 9.802 11.016 2.973 1.00 4.32 O ATOM 0 H TYR A 32 3.325 6.651 0.435 1.00 63.31 H new ATOM 0 HA TYR A 32 3.985 9.170 1.778 1.00 41.52 H new ATOM 0 HB2 TYR A 32 5.296 6.952 1.909 1.00 73.31 H new ATOM 0 HB3 TYR A 32 5.773 7.233 0.246 1.00 73.31 H new ATOM 0 HD1 TYR A 32 5.836 8.946 3.609 1.00 3.50 H new ATOM 0 HD2 TYR A 32 7.775 8.492 -0.174 1.00 3.14 H new ATOM 0 HE1 TYR A 32 7.687 10.364 4.380 1.00 24.51 H new ATOM 0 HE2 TYR A 32 9.615 9.915 0.603 1.00 70.34 H new ATOM 0 HH TYR A 32 10.466 11.106 2.258 1.00 4.32 H new ATOM 526 N ASN A 33 3.689 8.971 -1.399 1.00 44.11 N ATOM 527 CA ASN A 33 3.602 9.740 -2.648 1.00 61.33 C ATOM 528 C ASN A 33 2.411 10.703 -2.588 1.00 14.04 C ATOM 529 O ASN A 33 2.577 11.916 -2.571 1.00 51.21 O ATOM 530 CB ASN A 33 3.456 8.770 -3.843 1.00 51.41 C ATOM 531 CG ASN A 33 3.412 9.472 -5.200 1.00 20.13 C ATOM 532 OD1 ASN A 33 2.348 9.826 -5.695 1.00 31.22 O ATOM 533 ND2 ASN A 33 4.562 9.681 -5.805 1.00 63.33 N ATOM 0 H ASN A 33 3.235 8.059 -1.449 1.00 44.11 H new ATOM 0 HA ASN A 33 4.512 10.325 -2.778 1.00 61.33 H new ATOM 0 HB2 ASN A 33 4.289 8.068 -3.834 1.00 51.41 H new ATOM 0 HB3 ASN A 33 2.545 8.185 -3.716 1.00 51.41 H new ATOM 0 HD21 ASN A 33 4.584 10.149 -6.711 1.00 63.33 H new ATOM 0 HD22 ASN A 33 5.431 9.375 -5.368 1.00 63.33 H new ATOM 540 N SER A 34 1.211 10.121 -2.490 1.00 23.11 N ATOM 541 CA SER A 34 -0.058 10.864 -2.712 1.00 4.34 C ATOM 542 C SER A 34 -0.460 11.671 -1.467 1.00 3.32 C ATOM 543 O SER A 34 -0.708 12.876 -1.565 1.00 70.35 O ATOM 544 CB SER A 34 -1.202 9.903 -3.125 1.00 30.42 C ATOM 545 OG SER A 34 -0.840 9.118 -4.256 1.00 13.34 O ATOM 0 H SER A 34 1.080 9.136 -2.258 1.00 23.11 H new ATOM 0 HA SER A 34 0.114 11.565 -3.529 1.00 4.34 H new ATOM 0 HB2 SER A 34 -1.448 9.248 -2.289 1.00 30.42 H new ATOM 0 HB3 SER A 34 -2.099 10.479 -3.353 1.00 30.42 H new ATOM 0 HG SER A 34 -1.581 8.521 -4.491 1.00 13.34 H new ATOM 551 N ALA A 35 -0.498 11.005 -0.291 1.00 63.12 N ATOM 552 CA ALA A 35 -0.906 11.660 0.973 1.00 3.00 C ATOM 553 C ALA A 35 0.149 12.669 1.454 1.00 63.15 C ATOM 554 O ALA A 35 -0.207 13.736 1.945 1.00 15.13 O ATOM 555 CB ALA A 35 -1.190 10.639 2.079 1.00 32.31 C ATOM 0 H ALA A 35 -0.253 10.020 -0.191 1.00 63.12 H new ATOM 0 HA ALA A 35 -1.829 12.198 0.757 1.00 3.00 H new ATOM 0 HB1 ALA A 35 -1.486 11.161 2.989 1.00 32.31 H new ATOM 0 HB2 ALA A 35 -1.995 9.975 1.763 1.00 32.31 H new ATOM 0 HB3 ALA A 35 -0.291 10.053 2.273 1.00 32.31 H new ATOM 561 N ALA A 36 1.450 12.332 1.294 1.00 32.42 N ATOM 562 CA ALA A 36 2.548 13.222 1.741 1.00 50.14 C ATOM 563 C ALA A 36 2.639 14.488 0.865 1.00 30.54 C ATOM 564 O ALA A 36 2.832 15.582 1.387 1.00 71.25 O ATOM 565 CB ALA A 36 3.886 12.478 1.781 1.00 33.52 C ATOM 0 H ALA A 36 1.763 11.462 0.864 1.00 32.42 H new ATOM 0 HA ALA A 36 2.317 13.542 2.757 1.00 50.14 H new ATOM 0 HB1 ALA A 36 4.671 13.158 2.113 1.00 33.52 H new ATOM 0 HB2 ALA A 36 3.816 11.640 2.474 1.00 33.52 H new ATOM 0 HB3 ALA A 36 4.125 12.106 0.785 1.00 33.52 H new ATOM 571 N SER A 37 2.475 14.329 -0.471 1.00 15.44 N ATOM 572 CA SER A 37 2.383 15.481 -1.406 1.00 24.14 C ATOM 573 C SER A 37 1.092 16.297 -1.185 1.00 72.12 C ATOM 574 O SER A 37 1.077 17.493 -1.447 1.00 64.33 O ATOM 575 CB SER A 37 2.458 15.031 -2.883 1.00 22.51 C ATOM 576 OG SER A 37 3.740 14.508 -3.202 1.00 1.00 O ATOM 0 H SER A 37 2.404 13.419 -0.925 1.00 15.44 H new ATOM 0 HA SER A 37 3.242 16.116 -1.189 1.00 24.14 H new ATOM 0 HB2 SER A 37 1.697 14.274 -3.073 1.00 22.51 H new ATOM 0 HB3 SER A 37 2.236 15.877 -3.534 1.00 22.51 H new ATOM 0 HG SER A 37 3.733 13.534 -3.090 1.00 1.00 H new ATOM 582 N SER A 38 0.014 15.643 -0.707 1.00 34.32 N ATOM 583 CA SER A 38 -1.260 16.330 -0.379 1.00 42.52 C ATOM 584 C SER A 38 -1.121 17.173 0.889 1.00 44.34 C ATOM 585 O SER A 38 -1.676 18.266 0.973 1.00 15.34 O ATOM 586 CB SER A 38 -2.412 15.312 -0.225 1.00 23.33 C ATOM 587 OG SER A 38 -3.635 15.934 0.134 1.00 14.13 O ATOM 0 H SER A 38 -0.003 14.637 -0.538 1.00 34.32 H new ATOM 0 HA SER A 38 -1.498 16.997 -1.207 1.00 42.52 H new ATOM 0 HB2 SER A 38 -2.543 14.771 -1.162 1.00 23.33 H new ATOM 0 HB3 SER A 38 -2.145 14.576 0.533 1.00 23.33 H new ATOM 0 HG SER A 38 -4.335 15.254 0.219 1.00 14.13 H new ATOM 593 N ASP A 39 -0.367 16.647 1.864 1.00 40.52 N ATOM 594 CA ASP A 39 0.050 17.401 3.058 1.00 74.01 C ATOM 595 C ASP A 39 0.946 18.598 2.674 1.00 30.41 C ATOM 596 O ASP A 39 0.674 19.721 3.082 1.00 44.52 O ATOM 597 CB ASP A 39 0.792 16.475 4.055 1.00 75.24 C ATOM 598 CG ASP A 39 -0.150 15.528 4.814 1.00 15.23 C ATOM 599 OD1 ASP A 39 -1.067 16.021 5.499 1.00 13.33 O ATOM 600 OD2 ASP A 39 0.015 14.298 4.733 1.00 71.22 O ATOM 0 H ASP A 39 -0.028 15.685 1.849 1.00 40.52 H new ATOM 0 HA ASP A 39 -0.848 17.788 3.540 1.00 74.01 H new ATOM 0 HB2 ASP A 39 1.531 15.885 3.513 1.00 75.24 H new ATOM 0 HB3 ASP A 39 1.338 17.087 4.773 1.00 75.24 H new ATOM 605 N LEU A 40 1.974 18.353 1.838 1.00 24.43 N ATOM 606 CA LEU A 40 2.960 19.399 1.457 1.00 12.25 C ATOM 607 C LEU A 40 2.297 20.504 0.616 1.00 1.35 C ATOM 608 O LEU A 40 2.671 21.670 0.705 1.00 3.42 O ATOM 609 CB LEU A 40 4.161 18.799 0.674 1.00 61.01 C ATOM 610 CG LEU A 40 5.100 17.829 1.461 1.00 43.22 C ATOM 611 CD1 LEU A 40 6.270 17.340 0.582 1.00 41.11 C ATOM 612 CD2 LEU A 40 5.615 18.475 2.770 1.00 62.53 C ATOM 0 H LEU A 40 2.148 17.443 1.411 1.00 24.43 H new ATOM 0 HA LEU A 40 3.335 19.833 2.384 1.00 12.25 H new ATOM 0 HB2 LEU A 40 3.770 18.265 -0.192 1.00 61.01 H new ATOM 0 HB3 LEU A 40 4.765 19.623 0.294 1.00 61.01 H new ATOM 0 HG LEU A 40 4.507 16.957 1.736 1.00 43.22 H new ATOM 0 HD11 LEU A 40 6.903 16.667 1.160 1.00 41.11 H new ATOM 0 HD12 LEU A 40 5.877 16.811 -0.286 1.00 41.11 H new ATOM 0 HD13 LEU A 40 6.858 18.196 0.250 1.00 41.11 H new ATOM 0 HD21 LEU A 40 6.265 17.772 3.291 1.00 62.53 H new ATOM 0 HD22 LEU A 40 6.175 19.380 2.533 1.00 62.53 H new ATOM 0 HD23 LEU A 40 4.769 18.728 3.408 1.00 62.53 H new ATOM 624 N ARG A 41 1.295 20.110 -0.183 1.00 54.12 N ATOM 625 CA ARG A 41 0.520 21.033 -1.020 1.00 2.23 C ATOM 626 C ARG A 41 -0.425 21.870 -0.144 1.00 10.03 C ATOM 627 O ARG A 41 -0.477 23.087 -0.268 1.00 54.54 O ATOM 628 CB ARG A 41 -0.293 20.227 -2.058 1.00 35.44 C ATOM 629 CG ARG A 41 -0.986 21.079 -3.132 1.00 74.10 C ATOM 630 CD ARG A 41 -1.874 20.238 -4.062 1.00 51.41 C ATOM 631 NE ARG A 41 -1.156 19.081 -4.630 1.00 53.33 N ATOM 632 CZ ARG A 41 -1.715 17.951 -5.008 1.00 31.31 C ATOM 633 NH1 ARG A 41 -2.999 17.785 -4.971 1.00 43.15 N ATOM 634 NH2 ARG A 41 -0.976 16.994 -5.446 1.00 54.31 N ATOM 0 H ARG A 41 0.999 19.137 -0.266 1.00 54.12 H new ATOM 0 HA ARG A 41 1.201 21.706 -1.541 1.00 2.23 H new ATOM 0 HB2 ARG A 41 0.373 19.518 -2.550 1.00 35.44 H new ATOM 0 HB3 ARG A 41 -1.049 19.643 -1.533 1.00 35.44 H new ATOM 0 HG2 ARG A 41 -1.593 21.845 -2.649 1.00 74.10 H new ATOM 0 HG3 ARG A 41 -0.232 21.597 -3.724 1.00 74.10 H new ATOM 0 HD2 ARG A 41 -2.744 19.886 -3.508 1.00 51.41 H new ATOM 0 HD3 ARG A 41 -2.244 20.866 -4.872 1.00 51.41 H new ATOM 0 HE ARG A 41 -0.145 19.163 -4.738 1.00 53.33 H new ATOM 0 HH11 ARG A 41 -3.602 18.540 -4.643 1.00 43.15 H new ATOM 0 HH12 ARG A 41 -3.408 16.899 -5.270 1.00 43.15 H new ATOM 0 HH21 ARG A 41 0.036 17.114 -5.498 1.00 54.31 H new ATOM 0 HH22 ARG A 41 -1.401 16.115 -5.741 1.00 54.31 H new ATOM 648 N ASN A 42 -1.146 21.174 0.760 1.00 43.31 N ATOM 649 CA ASN A 42 -2.109 21.799 1.701 1.00 24.45 C ATOM 650 C ASN A 42 -1.415 22.787 2.680 1.00 63.50 C ATOM 651 O ASN A 42 -1.999 23.810 3.052 1.00 51.33 O ATOM 652 CB ASN A 42 -2.871 20.694 2.485 1.00 60.55 C ATOM 653 CG ASN A 42 -4.111 21.199 3.242 1.00 30.03 C ATOM 654 OD1 ASN A 42 -4.769 22.145 2.822 1.00 41.12 O ATOM 655 ND2 ASN A 42 -4.439 20.579 4.357 1.00 34.00 N ATOM 0 H ASN A 42 -1.079 20.161 0.861 1.00 43.31 H new ATOM 0 HA ASN A 42 -2.819 22.381 1.114 1.00 24.45 H new ATOM 0 HB2 ASN A 42 -3.178 19.915 1.787 1.00 60.55 H new ATOM 0 HB3 ASN A 42 -2.187 20.233 3.197 1.00 60.55 H new ATOM 0 HD21 ASN A 42 -5.254 20.884 4.889 1.00 34.00 H new ATOM 0 HD22 ASN A 42 -3.878 19.794 4.688 1.00 34.00 H new ATOM 662 N LEU A 43 -0.158 22.487 3.069 1.00 10.21 N ATOM 663 CA LEU A 43 0.624 23.337 3.996 1.00 44.24 C ATOM 664 C LEU A 43 1.226 24.544 3.252 1.00 34.40 C ATOM 665 O LEU A 43 1.256 25.657 3.788 1.00 22.31 O ATOM 666 CB LEU A 43 1.754 22.517 4.690 1.00 72.21 C ATOM 667 CG LEU A 43 1.288 21.372 5.653 1.00 3.42 C ATOM 668 CD1 LEU A 43 2.490 20.599 6.248 1.00 11.41 C ATOM 669 CD2 LEU A 43 0.360 21.909 6.763 1.00 41.04 C ATOM 0 H LEU A 43 0.342 21.656 2.753 1.00 10.21 H new ATOM 0 HA LEU A 43 -0.056 23.703 4.765 1.00 44.24 H new ATOM 0 HB2 LEU A 43 2.383 22.078 3.916 1.00 72.21 H new ATOM 0 HB3 LEU A 43 2.379 23.207 5.256 1.00 72.21 H new ATOM 0 HG LEU A 43 0.711 20.665 5.056 1.00 3.42 H new ATOM 0 HD11 LEU A 43 2.126 19.814 6.910 1.00 11.41 H new ATOM 0 HD12 LEU A 43 3.071 20.153 5.441 1.00 11.41 H new ATOM 0 HD13 LEU A 43 3.121 21.286 6.812 1.00 11.41 H new ATOM 0 HD21 LEU A 43 0.056 21.088 7.412 1.00 41.04 H new ATOM 0 HD22 LEU A 43 0.891 22.658 7.350 1.00 41.04 H new ATOM 0 HD23 LEU A 43 -0.523 22.361 6.312 1.00 41.04 H new ATOM 681 N LYS A 44 1.670 24.316 2.000 1.00 63.11 N ATOM 682 CA LYS A 44 2.348 25.346 1.189 1.00 51.20 C ATOM 683 C LYS A 44 1.319 26.369 0.689 1.00 21.22 C ATOM 684 O LYS A 44 1.558 27.567 0.745 1.00 2.32 O ATOM 685 CB LYS A 44 3.120 24.661 0.017 1.00 63.43 C ATOM 686 CG LYS A 44 4.132 25.550 -0.778 1.00 32.52 C ATOM 687 CD LYS A 44 3.502 26.485 -1.840 1.00 5.52 C ATOM 688 CE LYS A 44 2.743 25.732 -2.940 1.00 43.22 C ATOM 689 NZ LYS A 44 2.103 26.664 -3.906 1.00 33.43 N ATOM 0 H LYS A 44 1.570 23.419 1.525 1.00 63.11 H new ATOM 0 HA LYS A 44 3.077 25.885 1.794 1.00 51.20 H new ATOM 0 HB2 LYS A 44 3.663 23.807 0.422 1.00 63.43 H new ATOM 0 HB3 LYS A 44 2.387 24.268 -0.688 1.00 63.43 H new ATOM 0 HG2 LYS A 44 4.691 26.159 -0.067 1.00 32.52 H new ATOM 0 HG3 LYS A 44 4.851 24.898 -1.273 1.00 32.52 H new ATOM 0 HD2 LYS A 44 2.819 27.176 -1.346 1.00 5.52 H new ATOM 0 HD3 LYS A 44 4.288 27.086 -2.297 1.00 5.52 H new ATOM 0 HE2 LYS A 44 3.431 25.074 -3.471 1.00 43.22 H new ATOM 0 HE3 LYS A 44 1.981 25.098 -2.487 1.00 43.22 H new ATOM 0 HZ1 LYS A 44 1.600 26.118 -4.634 1.00 33.43 H new ATOM 0 HZ2 LYS A 44 1.428 27.275 -3.404 1.00 33.43 H new ATOM 0 HZ3 LYS A 44 2.833 27.252 -4.357 1.00 33.43 H new ATOM 703 N THR A 45 0.163 25.872 0.221 1.00 60.35 N ATOM 704 CA THR A 45 -0.954 26.719 -0.263 1.00 53.14 C ATOM 705 C THR A 45 -1.558 27.548 0.892 1.00 31.14 C ATOM 706 O THR A 45 -2.053 28.656 0.688 1.00 13.13 O ATOM 707 CB THR A 45 -2.062 25.848 -0.953 1.00 1.32 C ATOM 708 OG1 THR A 45 -2.869 26.665 -1.824 1.00 41.01 O ATOM 709 CG2 THR A 45 -2.988 25.120 0.045 1.00 33.43 C ATOM 0 H THR A 45 -0.030 24.872 0.165 1.00 60.35 H new ATOM 0 HA THR A 45 -0.552 27.409 -1.005 1.00 53.14 H new ATOM 0 HB THR A 45 -1.529 25.084 -1.519 1.00 1.32 H new ATOM 0 HG1 THR A 45 -3.556 26.110 -2.250 1.00 41.01 H new ATOM 0 HG21 THR A 45 -3.728 24.538 -0.504 1.00 33.43 H new ATOM 0 HG22 THR A 45 -2.395 24.454 0.672 1.00 33.43 H new ATOM 0 HG23 THR A 45 -3.495 25.853 0.672 1.00 33.43 H new ATOM 717 N ALA A 46 -1.503 26.965 2.108 1.00 60.32 N ATOM 718 CA ALA A 46 -1.900 27.645 3.360 1.00 32.22 C ATOM 719 C ALA A 46 -0.909 28.767 3.732 1.00 65.41 C ATOM 720 O ALA A 46 -1.303 29.763 4.334 1.00 4.10 O ATOM 721 CB ALA A 46 -2.023 26.626 4.502 1.00 72.32 C ATOM 0 H ALA A 46 -1.181 26.007 2.250 1.00 60.32 H new ATOM 0 HA ALA A 46 -2.873 28.109 3.198 1.00 32.22 H new ATOM 0 HB1 ALA A 46 -2.316 27.139 5.418 1.00 72.32 H new ATOM 0 HB2 ALA A 46 -2.777 25.882 4.246 1.00 72.32 H new ATOM 0 HB3 ALA A 46 -1.063 26.132 4.654 1.00 72.32 H new ATOM 727 N LEU A 47 0.385 28.583 3.382 1.00 13.12 N ATOM 728 CA LEU A 47 1.407 29.652 3.495 1.00 64.10 C ATOM 729 C LEU A 47 1.121 30.792 2.492 1.00 14.20 C ATOM 730 O LEU A 47 1.075 31.951 2.875 1.00 43.54 O ATOM 731 CB LEU A 47 2.839 29.091 3.257 1.00 65.12 C ATOM 732 CG LEU A 47 3.384 28.095 4.326 1.00 31.02 C ATOM 733 CD1 LEU A 47 4.732 27.490 3.888 1.00 51.42 C ATOM 734 CD2 LEU A 47 3.498 28.768 5.717 1.00 21.22 C ATOM 0 H LEU A 47 0.748 27.702 3.018 1.00 13.12 H new ATOM 0 HA LEU A 47 1.354 30.048 4.509 1.00 64.10 H new ATOM 0 HB2 LEU A 47 2.853 28.592 2.288 1.00 65.12 H new ATOM 0 HB3 LEU A 47 3.529 29.933 3.192 1.00 65.12 H new ATOM 0 HG LEU A 47 2.666 27.279 4.412 1.00 31.02 H new ATOM 0 HD11 LEU A 47 5.087 26.800 4.653 1.00 51.42 H new ATOM 0 HD12 LEU A 47 4.602 26.954 2.948 1.00 51.42 H new ATOM 0 HD13 LEU A 47 5.462 28.288 3.752 1.00 51.42 H new ATOM 0 HD21 LEU A 47 3.881 28.047 6.440 1.00 21.22 H new ATOM 0 HD22 LEU A 47 4.179 29.617 5.656 1.00 21.22 H new ATOM 0 HD23 LEU A 47 2.515 29.114 6.036 1.00 21.22 H new ATOM 746 N GLU A 48 0.907 30.434 1.204 1.00 21.42 N ATOM 747 CA GLU A 48 0.631 31.424 0.121 1.00 64.43 C ATOM 748 C GLU A 48 -0.649 32.216 0.420 1.00 73.25 C ATOM 749 O GLU A 48 -0.743 33.404 0.102 1.00 71.50 O ATOM 750 CB GLU A 48 0.490 30.726 -1.271 1.00 1.32 C ATOM 751 CG GLU A 48 1.554 29.662 -1.607 1.00 14.21 C ATOM 752 CD GLU A 48 3.010 30.152 -1.486 1.00 12.04 C ATOM 753 OE1 GLU A 48 3.541 30.732 -2.457 1.00 72.20 O ATOM 754 OE2 GLU A 48 3.638 29.944 -0.421 1.00 64.15 O ATOM 0 H GLU A 48 0.919 29.466 0.883 1.00 21.42 H new ATOM 0 HA GLU A 48 1.481 32.106 0.087 1.00 64.43 H new ATOM 0 HB2 GLU A 48 -0.492 30.257 -1.322 1.00 1.32 H new ATOM 0 HB3 GLU A 48 0.517 31.494 -2.044 1.00 1.32 H new ATOM 0 HG2 GLU A 48 1.416 28.807 -0.945 1.00 14.21 H new ATOM 0 HG3 GLU A 48 1.387 29.308 -2.624 1.00 14.21 H new ATOM 761 N SER A 49 -1.625 31.526 1.036 1.00 32.33 N ATOM 762 CA SER A 49 -2.882 32.135 1.494 1.00 43.45 C ATOM 763 C SER A 49 -2.616 33.115 2.652 1.00 31.34 C ATOM 764 O SER A 49 -2.858 34.307 2.510 1.00 33.12 O ATOM 765 CB SER A 49 -3.887 31.046 1.937 1.00 24.44 C ATOM 766 OG SER A 49 -5.142 31.591 2.348 1.00 44.53 O ATOM 0 H SER A 49 -1.562 30.527 1.230 1.00 32.33 H new ATOM 0 HA SER A 49 -3.316 32.688 0.661 1.00 43.45 H new ATOM 0 HB2 SER A 49 -4.049 30.350 1.114 1.00 24.44 H new ATOM 0 HB3 SER A 49 -3.457 30.473 2.759 1.00 24.44 H new ATOM 0 HG SER A 49 -5.076 32.568 2.392 1.00 44.53 H new ATOM 772 N ALA A 50 -2.024 32.598 3.751 1.00 32.34 N ATOM 773 CA ALA A 50 -1.845 33.346 5.024 1.00 43.43 C ATOM 774 C ALA A 50 -0.985 34.602 4.841 1.00 74.10 C ATOM 775 O ALA A 50 -1.247 35.650 5.422 1.00 62.35 O ATOM 776 CB ALA A 50 -1.203 32.433 6.075 1.00 14.41 C ATOM 0 H ALA A 50 -1.654 31.648 3.785 1.00 32.34 H new ATOM 0 HA ALA A 50 -2.832 33.667 5.357 1.00 43.43 H new ATOM 0 HB1 ALA A 50 -1.074 32.985 7.006 1.00 14.41 H new ATOM 0 HB2 ALA A 50 -1.847 31.571 6.250 1.00 14.41 H new ATOM 0 HB3 ALA A 50 -0.231 32.093 5.717 1.00 14.41 H new ATOM 782 N PHE A 51 0.036 34.468 3.999 1.00 43.54 N ATOM 783 CA PHE A 51 0.955 35.557 3.677 1.00 61.45 C ATOM 784 C PHE A 51 0.246 36.620 2.814 1.00 73.32 C ATOM 785 O PHE A 51 0.472 37.820 2.996 1.00 34.32 O ATOM 786 CB PHE A 51 2.228 34.995 2.973 1.00 54.44 C ATOM 787 CG PHE A 51 3.229 34.275 3.906 1.00 71.23 C ATOM 788 CD1 PHE A 51 2.799 33.369 4.882 1.00 44.14 C ATOM 789 CD2 PHE A 51 4.602 34.495 3.791 1.00 73.14 C ATOM 790 CE1 PHE A 51 3.696 32.720 5.703 1.00 52.44 C ATOM 791 CE2 PHE A 51 5.499 33.844 4.618 1.00 24.33 C ATOM 792 CZ PHE A 51 5.046 32.957 5.571 1.00 10.34 C ATOM 0 H PHE A 51 0.251 33.595 3.517 1.00 43.54 H new ATOM 0 HA PHE A 51 1.273 36.043 4.599 1.00 61.45 H new ATOM 0 HB2 PHE A 51 1.916 34.299 2.194 1.00 54.44 H new ATOM 0 HB3 PHE A 51 2.744 35.818 2.478 1.00 54.44 H new ATOM 0 HD1 PHE A 51 1.743 33.174 4.994 1.00 44.14 H new ATOM 0 HD2 PHE A 51 4.970 35.184 3.045 1.00 73.14 H new ATOM 0 HE1 PHE A 51 3.340 32.026 6.450 1.00 52.44 H new ATOM 0 HE2 PHE A 51 6.558 34.031 4.517 1.00 24.33 H new ATOM 0 HZ PHE A 51 5.749 32.448 6.214 1.00 10.34 H new ATOM 802 N ALA A 52 -0.659 36.173 1.919 1.00 44.14 N ATOM 803 CA ALA A 52 -1.341 37.077 0.966 1.00 55.10 C ATOM 804 C ALA A 52 -2.445 37.898 1.645 1.00 35.33 C ATOM 805 O ALA A 52 -2.454 39.123 1.553 1.00 23.31 O ATOM 806 CB ALA A 52 -1.897 36.293 -0.230 1.00 23.44 C ATOM 0 H ALA A 52 -0.935 35.195 1.835 1.00 44.14 H new ATOM 0 HA ALA A 52 -0.595 37.781 0.597 1.00 55.10 H new ATOM 0 HB1 ALA A 52 -2.393 36.979 -0.916 1.00 23.44 H new ATOM 0 HB2 ALA A 52 -1.080 35.791 -0.748 1.00 23.44 H new ATOM 0 HB3 ALA A 52 -2.613 35.551 0.123 1.00 23.44 H new ATOM 812 N ASP A 53 -3.352 37.223 2.363 1.00 23.54 N ATOM 813 CA ASP A 53 -4.564 37.870 2.918 1.00 23.24 C ATOM 814 C ASP A 53 -4.299 38.611 4.252 1.00 50.32 C ATOM 815 O ASP A 53 -4.872 39.678 4.488 1.00 34.53 O ATOM 816 CB ASP A 53 -5.730 36.844 3.052 1.00 54.41 C ATOM 817 CG ASP A 53 -5.367 35.497 3.708 1.00 40.52 C ATOM 818 OD1 ASP A 53 -4.759 35.482 4.795 1.00 2.42 O ATOM 819 OD2 ASP A 53 -5.708 34.441 3.137 1.00 53.10 O ATOM 0 H ASP A 53 -3.276 36.229 2.577 1.00 23.54 H new ATOM 0 HA ASP A 53 -4.864 38.638 2.205 1.00 23.24 H new ATOM 0 HB2 ASP A 53 -6.530 37.305 3.632 1.00 54.41 H new ATOM 0 HB3 ASP A 53 -6.131 36.646 2.058 1.00 54.41 H new ATOM 824 N ASP A 54 -3.447 38.039 5.121 1.00 10.32 N ATOM 825 CA ASP A 54 -3.133 38.626 6.447 1.00 20.42 C ATOM 826 C ASP A 54 -2.113 39.792 6.314 1.00 23.44 C ATOM 827 O ASP A 54 -2.491 40.967 6.410 1.00 44.51 O ATOM 828 CB ASP A 54 -2.626 37.511 7.407 1.00 51.03 C ATOM 829 CG ASP A 54 -2.163 38.024 8.781 1.00 14.32 C ATOM 830 OD1 ASP A 54 -3.011 38.221 9.673 1.00 30.24 O ATOM 831 OD2 ASP A 54 -0.945 38.238 8.970 1.00 45.42 O ATOM 0 H ASP A 54 -2.958 37.164 4.932 1.00 10.32 H new ATOM 0 HA ASP A 54 -4.041 39.053 6.874 1.00 20.42 H new ATOM 0 HB2 ASP A 54 -3.424 36.783 7.554 1.00 51.03 H new ATOM 0 HB3 ASP A 54 -1.799 36.985 6.930 1.00 51.03 H new ATOM 836 N GLN A 55 -0.830 39.459 6.059 1.00 25.52 N ATOM 837 CA GLN A 55 0.279 40.459 6.028 1.00 55.34 C ATOM 838 C GLN A 55 0.435 41.160 4.652 1.00 20.31 C ATOM 839 O GLN A 55 1.365 41.950 4.468 1.00 73.12 O ATOM 840 CB GLN A 55 1.618 39.803 6.494 1.00 14.43 C ATOM 841 CG GLN A 55 2.001 38.496 5.765 1.00 3.10 C ATOM 842 CD GLN A 55 3.344 37.902 6.216 1.00 31.21 C ATOM 843 OE1 GLN A 55 4.278 38.615 6.557 1.00 64.13 O ATOM 844 NE2 GLN A 55 3.445 36.587 6.237 1.00 51.52 N ATOM 0 H GLN A 55 -0.527 38.504 5.870 1.00 25.52 H new ATOM 0 HA GLN A 55 0.013 41.249 6.731 1.00 55.34 H new ATOM 0 HB2 GLN A 55 2.424 40.525 6.359 1.00 14.43 H new ATOM 0 HB3 GLN A 55 1.550 39.597 7.562 1.00 14.43 H new ATOM 0 HG2 GLN A 55 1.216 37.758 5.927 1.00 3.10 H new ATOM 0 HG3 GLN A 55 2.042 38.688 4.693 1.00 3.10 H new ATOM 0 HE21 GLN A 55 2.655 36.010 5.949 1.00 51.52 H new ATOM 0 HE22 GLN A 55 4.313 36.147 6.541 1.00 51.52 H new ATOM 853 N THR A 56 -0.484 40.861 3.696 1.00 32.43 N ATOM 854 CA THR A 56 -0.597 41.570 2.386 1.00 2.40 C ATOM 855 C THR A 56 0.660 41.346 1.484 1.00 64.43 C ATOM 856 O THR A 56 1.019 42.176 0.644 1.00 74.10 O ATOM 857 CB THR A 56 -0.922 43.110 2.588 1.00 12.12 C ATOM 858 OG1 THR A 56 -1.956 43.265 3.584 1.00 31.32 O ATOM 859 CG2 THR A 56 -1.415 43.804 1.294 1.00 60.02 C ATOM 0 H THR A 56 -1.173 40.117 3.810 1.00 32.43 H new ATOM 0 HA THR A 56 -1.440 41.130 1.853 1.00 2.40 H new ATOM 0 HB THR A 56 0.013 43.578 2.896 1.00 12.12 H new ATOM 0 HG1 THR A 56 -2.152 44.217 3.707 1.00 31.32 H new ATOM 0 HG21 THR A 56 -1.620 44.855 1.500 1.00 60.02 H new ATOM 0 HG22 THR A 56 -0.646 43.728 0.525 1.00 60.02 H new ATOM 0 HG23 THR A 56 -2.326 43.318 0.945 1.00 60.02 H new ATOM 867 N TYR A 57 1.320 40.192 1.676 1.00 71.21 N ATOM 868 CA TYR A 57 2.423 39.707 0.798 1.00 3.24 C ATOM 869 C TYR A 57 1.912 38.575 -0.155 1.00 1.24 C ATOM 870 O TYR A 57 1.885 37.399 0.232 1.00 32.12 O ATOM 871 CB TYR A 57 3.616 39.203 1.675 1.00 61.22 C ATOM 872 CG TYR A 57 4.737 38.485 0.890 1.00 11.34 C ATOM 873 CD1 TYR A 57 5.492 39.158 -0.075 1.00 50.43 C ATOM 874 CD2 TYR A 57 5.026 37.131 1.111 1.00 52.00 C ATOM 875 CE1 TYR A 57 6.486 38.510 -0.787 1.00 41.43 C ATOM 876 CE2 TYR A 57 6.020 36.484 0.402 1.00 31.44 C ATOM 877 CZ TYR A 57 6.746 37.174 -0.543 1.00 43.24 C ATOM 878 OH TYR A 57 7.735 36.528 -1.254 1.00 1.11 O ATOM 0 H TYR A 57 1.110 39.558 2.447 1.00 71.21 H new ATOM 0 HA TYR A 57 2.771 40.533 0.178 1.00 3.24 H new ATOM 0 HB2 TYR A 57 4.048 40.055 2.201 1.00 61.22 H new ATOM 0 HB3 TYR A 57 3.229 38.523 2.434 1.00 61.22 H new ATOM 0 HD1 TYR A 57 5.296 40.202 -0.268 1.00 50.43 H new ATOM 0 HD2 TYR A 57 4.461 36.583 1.850 1.00 52.00 H new ATOM 0 HE1 TYR A 57 7.057 39.046 -1.531 1.00 41.43 H new ATOM 0 HE2 TYR A 57 6.227 35.441 0.588 1.00 31.44 H new ATOM 0 HH TYR A 57 7.791 35.594 -0.962 1.00 1.11 H new ATOM 888 N PRO A 58 1.449 38.911 -1.400 1.00 42.05 N ATOM 889 CA PRO A 58 1.064 37.894 -2.404 1.00 52.35 C ATOM 890 C PRO A 58 2.286 37.372 -3.226 1.00 24.32 C ATOM 891 O PRO A 58 3.170 38.160 -3.603 1.00 11.44 O ATOM 892 CB PRO A 58 0.050 38.663 -3.278 1.00 11.20 C ATOM 893 CG PRO A 58 0.545 40.083 -3.267 1.00 10.43 C ATOM 894 CD PRO A 58 1.234 40.289 -1.924 1.00 64.31 C ATOM 0 HA PRO A 58 0.653 36.986 -1.963 1.00 52.35 H new ATOM 0 HB2 PRO A 58 0.015 38.263 -4.291 1.00 11.20 H new ATOM 0 HB3 PRO A 58 -0.959 38.591 -2.872 1.00 11.20 H new ATOM 0 HG2 PRO A 58 1.238 40.259 -4.090 1.00 10.43 H new ATOM 0 HG3 PRO A 58 -0.281 40.783 -3.391 1.00 10.43 H new ATOM 0 HD2 PRO A 58 2.178 40.821 -2.040 1.00 64.31 H new ATOM 0 HD3 PRO A 58 0.616 40.879 -1.247 1.00 64.31 H new ATOM 902 N PRO A 59 2.361 36.028 -3.514 1.00 60.42 N ATOM 903 CA PRO A 59 3.471 35.430 -4.303 1.00 33.32 C ATOM 904 C PRO A 59 3.494 35.928 -5.779 1.00 35.41 C ATOM 905 O PRO A 59 2.749 35.417 -6.624 1.00 53.31 O ATOM 906 CB PRO A 59 3.204 33.892 -4.213 1.00 22.44 C ATOM 907 CG PRO A 59 2.217 33.730 -3.090 1.00 72.33 C ATOM 908 CD PRO A 59 1.387 34.989 -3.089 1.00 71.33 C ATOM 0 HA PRO A 59 4.449 35.714 -3.914 1.00 33.32 H new ATOM 0 HB2 PRO A 59 2.802 33.506 -5.150 1.00 22.44 H new ATOM 0 HB3 PRO A 59 4.124 33.343 -4.011 1.00 22.44 H new ATOM 0 HG2 PRO A 59 1.592 32.850 -3.242 1.00 72.33 H new ATOM 0 HG3 PRO A 59 2.728 33.597 -2.136 1.00 72.33 H new ATOM 0 HD2 PRO A 59 0.545 34.919 -3.778 1.00 71.33 H new ATOM 0 HD3 PRO A 59 0.975 35.201 -2.102 1.00 71.33 H new ATOM 916 N GLU A 60 4.305 36.987 -6.038 1.00 2.11 N ATOM 917 CA GLU A 60 4.527 37.574 -7.394 1.00 75.35 C ATOM 918 C GLU A 60 3.210 38.008 -8.115 1.00 34.54 C ATOM 919 O GLU A 60 3.158 38.067 -9.349 1.00 25.43 O ATOM 920 CB GLU A 60 5.363 36.591 -8.277 1.00 3.11 C ATOM 921 CG GLU A 60 6.792 36.311 -7.755 1.00 23.22 C ATOM 922 CD GLU A 60 7.567 35.308 -8.632 1.00 34.33 C ATOM 923 OE1 GLU A 60 8.068 35.700 -9.709 1.00 32.41 O ATOM 924 OE2 GLU A 60 7.653 34.116 -8.274 1.00 1.54 O ATOM 0 H GLU A 60 4.830 37.465 -5.306 1.00 2.11 H new ATOM 0 HA GLU A 60 5.092 38.495 -7.247 1.00 75.35 H new ATOM 0 HB2 GLU A 60 4.826 35.645 -8.352 1.00 3.11 H new ATOM 0 HB3 GLU A 60 5.432 36.999 -9.285 1.00 3.11 H new ATOM 0 HG2 GLU A 60 7.346 37.248 -7.708 1.00 23.22 H new ATOM 0 HG3 GLU A 60 6.732 35.925 -6.737 1.00 23.22 H new ATOM 931 N SER A 61 2.170 38.375 -7.334 1.00 62.13 N ATOM 932 CA SER A 61 0.814 38.690 -7.875 1.00 14.30 C ATOM 933 C SER A 61 0.187 39.937 -7.166 1.00 34.01 C ATOM 934 O SER A 61 -0.785 39.803 -6.383 1.00 11.24 O ATOM 935 CB SER A 61 -0.091 37.429 -7.751 1.00 45.44 C ATOM 936 OG SER A 61 -1.374 37.641 -8.319 1.00 71.23 O ATOM 937 OXT SER A 61 0.693 41.058 -7.386 1.00 37.15 O ATOM 0 H SER A 61 2.237 38.463 -6.320 1.00 62.13 H new ATOM 0 HA SER A 61 0.901 38.954 -8.929 1.00 14.30 H new ATOM 0 HB2 SER A 61 0.391 36.586 -8.247 1.00 45.44 H new ATOM 0 HB3 SER A 61 -0.199 37.161 -6.700 1.00 45.44 H new ATOM 0 HG SER A 61 -1.912 36.828 -8.224 1.00 71.23 H new TER 943 SER A 61