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 Single : A 1 PHE N :NH3+ -138:sc= 0.585 (180deg=0.0081) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.049) 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+ 176:sc= 0 (180deg=-0.0311) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0379 K(o=-0.038,f=-0.75) USER MOD Single : A 34 SER OG : rot 78:sc= 1.23 USER MOD Single : A 37 SER OG : rot 70:sc= 1.19 USER MOD Single : A 38 SER OG : rot 79:sc= 0.315 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.303 X(o=0.3,f=-0.00067) USER MOD Single : A 56 THR OG1 : rot -46:sc= 0.271 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 -3.679 -37.883 7.395 1.00 31.52 N ATOM 2 CA PHE A 1 -3.861 -36.704 6.500 1.00 65.41 C ATOM 3 C PHE A 1 -3.535 -37.047 5.029 1.00 23.32 C ATOM 4 O PHE A 1 -2.677 -37.887 4.754 1.00 14.14 O ATOM 5 CB PHE A 1 -3.006 -35.502 7.002 1.00 33.54 C ATOM 6 CG PHE A 1 -1.510 -35.796 7.174 1.00 51.40 C ATOM 7 CD1 PHE A 1 -1.007 -36.279 8.386 1.00 52.41 C ATOM 8 CD2 PHE A 1 -0.609 -35.592 6.127 1.00 3.30 C ATOM 9 CE1 PHE A 1 0.340 -36.547 8.540 1.00 33.21 C ATOM 10 CE2 PHE A 1 0.737 -35.861 6.283 1.00 75.25 C ATOM 11 CZ PHE A 1 1.212 -36.339 7.490 1.00 60.34 C ATOM 0 H1 PHE A 1 -4.463 -37.925 8.077 1.00 31.52 H new ATOM 0 H2 PHE A 1 -3.668 -38.753 6.825 1.00 31.52 H new ATOM 0 H3 PHE A 1 -2.779 -37.794 7.908 1.00 31.52 H new ATOM 0 HA PHE A 1 -4.912 -36.417 6.535 1.00 65.41 H new ATOM 0 HB2 PHE A 1 -3.120 -34.676 6.300 1.00 33.54 H new ATOM 0 HB3 PHE A 1 -3.407 -35.165 7.958 1.00 33.54 H new ATOM 0 HD1 PHE A 1 -1.681 -36.445 9.214 1.00 52.41 H new ATOM 0 HD2 PHE A 1 -0.970 -35.218 5.180 1.00 3.30 H new ATOM 0 HE1 PHE A 1 0.711 -36.920 9.483 1.00 33.21 H new ATOM 0 HE2 PHE A 1 1.419 -35.698 5.461 1.00 75.25 H new ATOM 0 HZ PHE A 1 2.264 -36.550 7.612 1.00 60.34 H new ATOM 23 N THR A 2 -4.248 -36.401 4.091 1.00 50.11 N ATOM 24 CA THR A 2 -3.988 -36.516 2.640 1.00 45.45 C ATOM 25 C THR A 2 -2.985 -35.432 2.199 1.00 53.32 C ATOM 26 O THR A 2 -3.087 -34.277 2.636 1.00 11.41 O ATOM 27 CB THR A 2 -5.323 -36.383 1.828 1.00 12.31 C ATOM 28 OG1 THR A 2 -6.304 -37.291 2.352 1.00 60.32 O ATOM 29 CG2 THR A 2 -5.138 -36.670 0.330 1.00 21.42 C ATOM 0 H THR A 2 -5.026 -35.780 4.316 1.00 50.11 H new ATOM 0 HA THR A 2 -3.561 -37.498 2.439 1.00 45.45 H new ATOM 0 HB THR A 2 -5.653 -35.349 1.933 1.00 12.31 H new ATOM 0 HG1 THR A 2 -7.137 -37.203 1.843 1.00 60.32 H new ATOM 0 HG21 THR A 2 -6.094 -36.563 -0.182 1.00 21.42 H new ATOM 0 HG22 THR A 2 -4.421 -35.965 -0.090 1.00 21.42 H new ATOM 0 HG23 THR A 2 -4.767 -37.686 0.197 1.00 21.42 H new ATOM 37 N LEU A 3 -2.009 -35.823 1.348 1.00 2.25 N ATOM 38 CA LEU A 3 -1.004 -34.892 0.766 1.00 44.34 C ATOM 39 C LEU A 3 -1.700 -33.745 -0.001 1.00 3.31 C ATOM 40 O LEU A 3 -1.212 -32.614 -0.009 1.00 64.04 O ATOM 41 CB LEU A 3 -0.023 -35.688 -0.162 1.00 64.23 C ATOM 42 CG LEU A 3 1.307 -34.974 -0.648 1.00 22.13 C ATOM 43 CD1 LEU A 3 2.384 -36.010 -1.066 1.00 31.02 C ATOM 44 CD2 LEU A 3 1.068 -33.974 -1.813 1.00 14.55 C ATOM 0 H LEU A 3 -1.893 -36.789 1.043 1.00 2.25 H new ATOM 0 HA LEU A 3 -0.426 -34.440 1.572 1.00 44.34 H new ATOM 0 HB2 LEU A 3 0.263 -36.600 0.363 1.00 64.23 H new ATOM 0 HB3 LEU A 3 -0.579 -35.992 -1.049 1.00 64.23 H new ATOM 0 HG LEU A 3 1.666 -34.404 0.209 1.00 22.13 H new ATOM 0 HD11 LEU A 3 3.283 -35.488 -1.394 1.00 31.02 H new ATOM 0 HD12 LEU A 3 2.625 -36.648 -0.216 1.00 31.02 H new ATOM 0 HD13 LEU A 3 2.002 -36.623 -1.883 1.00 31.02 H new ATOM 0 HD21 LEU A 3 2.015 -33.518 -2.101 1.00 14.55 H new ATOM 0 HD22 LEU A 3 0.646 -34.504 -2.667 1.00 14.55 H new ATOM 0 HD23 LEU A 3 0.375 -33.197 -1.490 1.00 14.55 H new ATOM 56 N ILE A 4 -2.855 -34.056 -0.620 1.00 60.33 N ATOM 57 CA ILE A 4 -3.628 -33.082 -1.430 1.00 54.12 C ATOM 58 C ILE A 4 -4.193 -31.938 -0.553 1.00 52.13 C ATOM 59 O ILE A 4 -4.208 -30.790 -0.979 1.00 62.33 O ATOM 60 CB ILE A 4 -4.786 -33.787 -2.244 1.00 73.33 C ATOM 61 CG1 ILE A 4 -4.200 -34.921 -3.147 1.00 35.22 C ATOM 62 CG2 ILE A 4 -5.603 -32.776 -3.093 1.00 3.31 C ATOM 63 CD1 ILE A 4 -3.123 -34.473 -4.129 1.00 5.21 C ATOM 0 H ILE A 4 -3.280 -34.982 -0.576 1.00 60.33 H new ATOM 0 HA ILE A 4 -2.935 -32.645 -2.149 1.00 54.12 H new ATOM 0 HB ILE A 4 -5.474 -34.227 -1.522 1.00 73.33 H new ATOM 0 HG12 ILE A 4 -3.784 -35.697 -2.505 1.00 35.22 H new ATOM 0 HG13 ILE A 4 -5.016 -35.375 -3.709 1.00 35.22 H new ATOM 0 HG21 ILE A 4 -6.387 -33.305 -3.635 1.00 3.31 H new ATOM 0 HG22 ILE A 4 -6.054 -32.031 -2.437 1.00 3.31 H new ATOM 0 HG23 ILE A 4 -4.942 -32.280 -3.804 1.00 3.31 H new ATOM 0 HD11 ILE A 4 -2.780 -35.330 -4.709 1.00 5.21 H new ATOM 0 HD12 ILE A 4 -3.534 -33.721 -4.802 1.00 5.21 H new ATOM 0 HD13 ILE A 4 -2.283 -34.048 -3.579 1.00 5.21 H new ATOM 75 N GLU A 5 -4.625 -32.269 0.679 1.00 44.21 N ATOM 76 CA GLU A 5 -5.065 -31.265 1.689 1.00 11.31 C ATOM 77 C GLU A 5 -3.945 -30.236 1.961 1.00 4.12 C ATOM 78 O GLU A 5 -4.188 -29.029 1.974 1.00 43.33 O ATOM 79 CB GLU A 5 -5.475 -31.968 3.022 1.00 70.51 C ATOM 80 CG GLU A 5 -6.561 -33.056 2.888 1.00 31.40 C ATOM 81 CD GLU A 5 -7.916 -32.521 2.395 1.00 64.20 C ATOM 82 OE1 GLU A 5 -8.745 -32.107 3.236 1.00 22.41 O ATOM 83 OE2 GLU A 5 -8.159 -32.512 1.166 1.00 24.13 O ATOM 0 H GLU A 5 -4.682 -33.232 1.009 1.00 44.21 H new ATOM 0 HA GLU A 5 -5.932 -30.741 1.286 1.00 11.31 H new ATOM 0 HB2 GLU A 5 -4.586 -32.418 3.464 1.00 70.51 H new ATOM 0 HB3 GLU A 5 -5.829 -31.209 3.720 1.00 70.51 H new ATOM 0 HG2 GLU A 5 -6.211 -33.823 2.198 1.00 31.40 H new ATOM 0 HG3 GLU A 5 -6.701 -33.538 3.856 1.00 31.40 H new ATOM 90 N LEU A 6 -2.718 -30.750 2.138 1.00 64.03 N ATOM 91 CA LEU A 6 -1.510 -29.927 2.364 1.00 14.05 C ATOM 92 C LEU A 6 -1.175 -29.068 1.127 1.00 40.21 C ATOM 93 O LEU A 6 -0.835 -27.900 1.261 1.00 2.53 O ATOM 94 CB LEU A 6 -0.313 -30.849 2.713 1.00 32.41 C ATOM 95 CG LEU A 6 -0.547 -31.874 3.865 1.00 52.43 C ATOM 96 CD1 LEU A 6 0.688 -32.779 4.069 1.00 11.41 C ATOM 97 CD2 LEU A 6 -0.959 -31.167 5.179 1.00 24.50 C ATOM 0 H LEU A 6 -2.530 -31.753 2.129 1.00 64.03 H new ATOM 0 HA LEU A 6 -1.706 -29.250 3.195 1.00 14.05 H new ATOM 0 HB2 LEU A 6 -0.032 -31.400 1.816 1.00 32.41 H new ATOM 0 HB3 LEU A 6 0.537 -30.221 2.980 1.00 32.41 H new ATOM 0 HG LEU A 6 -1.377 -32.516 3.571 1.00 52.43 H new ATOM 0 HD11 LEU A 6 0.494 -33.482 4.879 1.00 11.41 H new ATOM 0 HD12 LEU A 6 0.891 -33.330 3.151 1.00 11.41 H new ATOM 0 HD13 LEU A 6 1.552 -32.164 4.322 1.00 11.41 H new ATOM 0 HD21 LEU A 6 -1.114 -31.912 5.960 1.00 24.50 H new ATOM 0 HD22 LEU A 6 -0.171 -30.479 5.485 1.00 24.50 H new ATOM 0 HD23 LEU A 6 -1.883 -30.612 5.019 1.00 24.50 H new ATOM 109 N LEU A 7 -1.286 -29.686 -0.067 1.00 73.31 N ATOM 110 CA LEU A 7 -1.051 -29.032 -1.368 1.00 34.42 C ATOM 111 C LEU A 7 -1.973 -27.793 -1.522 1.00 53.45 C ATOM 112 O LEU A 7 -1.504 -26.709 -1.856 1.00 0.40 O ATOM 113 CB LEU A 7 -1.283 -30.076 -2.520 1.00 70.22 C ATOM 114 CG LEU A 7 -0.574 -29.823 -3.902 1.00 54.40 C ATOM 115 CD1 LEU A 7 -1.106 -28.574 -4.642 1.00 32.50 C ATOM 116 CD2 LEU A 7 0.959 -29.766 -3.726 1.00 15.41 C ATOM 0 H LEU A 7 -1.545 -30.669 -0.154 1.00 73.31 H new ATOM 0 HA LEU A 7 -0.021 -28.679 -1.425 1.00 34.42 H new ATOM 0 HB2 LEU A 7 -0.964 -31.052 -2.155 1.00 70.22 H new ATOM 0 HB3 LEU A 7 -2.356 -30.139 -2.702 1.00 70.22 H new ATOM 0 HG LEU A 7 -0.820 -30.672 -4.540 1.00 54.40 H new ATOM 0 HD11 LEU A 7 -0.575 -28.457 -5.587 1.00 32.50 H new ATOM 0 HD12 LEU A 7 -2.172 -28.693 -4.837 1.00 32.50 H new ATOM 0 HD13 LEU A 7 -0.947 -27.690 -4.025 1.00 32.50 H new ATOM 0 HD21 LEU A 7 1.430 -29.590 -4.693 1.00 15.41 H new ATOM 0 HD22 LEU A 7 1.217 -28.956 -3.044 1.00 15.41 H new ATOM 0 HD23 LEU A 7 1.314 -30.712 -3.316 1.00 15.41 H new ATOM 128 N ILE A 8 -3.277 -27.985 -1.242 1.00 0.21 N ATOM 129 CA ILE A 8 -4.303 -26.946 -1.343 1.00 52.11 C ATOM 130 C ILE A 8 -4.088 -25.813 -0.314 1.00 4.05 C ATOM 131 O ILE A 8 -4.220 -24.645 -0.664 1.00 4.21 O ATOM 132 CB ILE A 8 -5.726 -27.598 -1.154 1.00 2.14 C ATOM 133 CG1 ILE A 8 -6.030 -28.617 -2.305 1.00 52.30 C ATOM 134 CG2 ILE A 8 -6.841 -26.536 -1.051 1.00 63.32 C ATOM 135 CD1 ILE A 8 -7.239 -29.499 -2.054 1.00 54.25 C ATOM 0 H ILE A 8 -3.646 -28.885 -0.934 1.00 0.21 H new ATOM 0 HA ILE A 8 -4.231 -26.494 -2.332 1.00 52.11 H new ATOM 0 HB ILE A 8 -5.709 -28.140 -0.208 1.00 2.14 H new ATOM 0 HG12 ILE A 8 -6.184 -28.065 -3.232 1.00 52.30 H new ATOM 0 HG13 ILE A 8 -5.156 -29.252 -2.453 1.00 52.30 H new ATOM 0 HG21 ILE A 8 -7.804 -27.031 -0.922 1.00 63.32 H new ATOM 0 HG22 ILE A 8 -6.648 -25.888 -0.196 1.00 63.32 H new ATOM 0 HG23 ILE A 8 -6.860 -25.938 -1.962 1.00 63.32 H new ATOM 0 HD11 ILE A 8 -7.378 -30.174 -2.898 1.00 54.25 H new ATOM 0 HD12 ILE A 8 -7.082 -30.081 -1.146 1.00 54.25 H new ATOM 0 HD13 ILE A 8 -8.126 -28.876 -1.937 1.00 54.25 H new ATOM 147 N VAL A 9 -3.766 -26.164 0.948 1.00 51.12 N ATOM 148 CA VAL A 9 -3.502 -25.177 2.010 1.00 73.04 C ATOM 149 C VAL A 9 -2.264 -24.302 1.675 1.00 51.54 C ATOM 150 O VAL A 9 -2.320 -23.077 1.797 1.00 63.33 O ATOM 151 CB VAL A 9 -3.349 -25.897 3.404 1.00 5.15 C ATOM 152 CG1 VAL A 9 -2.798 -24.958 4.490 1.00 64.11 C ATOM 153 CG2 VAL A 9 -4.705 -26.496 3.845 1.00 3.34 C ATOM 0 H VAL A 9 -3.683 -27.133 1.256 1.00 51.12 H new ATOM 0 HA VAL A 9 -4.357 -24.504 2.072 1.00 73.04 H new ATOM 0 HB VAL A 9 -2.623 -26.700 3.278 1.00 5.15 H new ATOM 0 HG11 VAL A 9 -2.711 -25.501 5.431 1.00 64.11 H new ATOM 0 HG12 VAL A 9 -1.816 -24.592 4.190 1.00 64.11 H new ATOM 0 HG13 VAL A 9 -3.476 -24.114 4.619 1.00 64.11 H new ATOM 0 HG21 VAL A 9 -4.588 -26.991 4.809 1.00 3.34 H new ATOM 0 HG22 VAL A 9 -5.443 -25.699 3.934 1.00 3.34 H new ATOM 0 HG23 VAL A 9 -5.041 -27.221 3.103 1.00 3.34 H new ATOM 163 N VAL A 10 -1.169 -24.930 1.219 1.00 33.32 N ATOM 164 CA VAL A 10 0.034 -24.208 0.772 1.00 73.10 C ATOM 165 C VAL A 10 -0.257 -23.381 -0.521 1.00 22.05 C ATOM 166 O VAL A 10 0.290 -22.287 -0.699 1.00 73.10 O ATOM 167 CB VAL A 10 1.214 -25.229 0.553 1.00 51.52 C ATOM 168 CG1 VAL A 10 2.457 -24.565 -0.061 1.00 23.03 C ATOM 169 CG2 VAL A 10 1.576 -25.938 1.884 1.00 13.22 C ATOM 0 H VAL A 10 -1.092 -25.945 1.150 1.00 33.32 H new ATOM 0 HA VAL A 10 0.330 -23.499 1.545 1.00 73.10 H new ATOM 0 HB VAL A 10 0.863 -25.974 -0.162 1.00 51.52 H new ATOM 0 HG11 VAL A 10 3.241 -25.311 -0.192 1.00 23.03 H new ATOM 0 HG12 VAL A 10 2.199 -24.136 -1.029 1.00 23.03 H new ATOM 0 HG13 VAL A 10 2.813 -23.777 0.602 1.00 23.03 H new ATOM 0 HG21 VAL A 10 2.393 -26.639 1.712 1.00 13.22 H new ATOM 0 HG22 VAL A 10 1.884 -25.195 2.620 1.00 13.22 H new ATOM 0 HG23 VAL A 10 0.706 -26.479 2.257 1.00 13.22 H new ATOM 179 N ALA A 11 -1.156 -23.892 -1.386 1.00 35.40 N ATOM 180 CA ALA A 11 -1.544 -23.213 -2.642 1.00 23.02 C ATOM 181 C ALA A 11 -2.323 -21.900 -2.364 1.00 53.34 C ATOM 182 O ALA A 11 -1.908 -20.830 -2.807 1.00 34.02 O ATOM 183 CB ALA A 11 -2.373 -24.157 -3.526 1.00 41.34 C ATOM 0 H ALA A 11 -1.632 -24.782 -1.236 1.00 35.40 H new ATOM 0 HA ALA A 11 -0.630 -22.946 -3.173 1.00 23.02 H new ATOM 0 HB1 ALA A 11 -2.651 -23.643 -4.446 1.00 41.34 H new ATOM 0 HB2 ALA A 11 -1.783 -25.041 -3.768 1.00 41.34 H new ATOM 0 HB3 ALA A 11 -3.274 -24.458 -2.992 1.00 41.34 H new ATOM 189 N ILE A 12 -3.431 -21.998 -1.593 1.00 21.23 N ATOM 190 CA ILE A 12 -4.320 -20.852 -1.291 1.00 34.14 C ATOM 191 C ILE A 12 -3.563 -19.732 -0.528 1.00 11.42 C ATOM 192 O ILE A 12 -3.644 -18.566 -0.917 1.00 1.31 O ATOM 193 CB ILE A 12 -5.613 -21.307 -0.501 1.00 72.44 C ATOM 194 CG1 ILE A 12 -5.250 -21.980 0.865 1.00 53.33 C ATOM 195 CG2 ILE A 12 -6.487 -22.248 -1.376 1.00 23.13 C ATOM 196 CD1 ILE A 12 -6.425 -22.491 1.679 1.00 42.40 C ATOM 0 H ILE A 12 -3.733 -22.872 -1.163 1.00 21.23 H new ATOM 0 HA ILE A 12 -4.648 -20.440 -2.245 1.00 34.14 H new ATOM 0 HB ILE A 12 -6.195 -20.413 -0.274 1.00 72.44 H new ATOM 0 HG12 ILE A 12 -4.576 -22.814 0.670 1.00 53.33 H new ATOM 0 HG13 ILE A 12 -4.699 -21.259 1.469 1.00 53.33 H new ATOM 0 HG21 ILE A 12 -7.371 -22.550 -0.815 1.00 23.13 H new ATOM 0 HG22 ILE A 12 -6.793 -21.723 -2.281 1.00 23.13 H new ATOM 0 HG23 ILE A 12 -5.910 -23.132 -1.647 1.00 23.13 H new ATOM 0 HD11 ILE A 12 -6.060 -22.937 2.604 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -7.092 -21.662 1.915 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -6.967 -23.241 1.104 1.00 42.40 H new ATOM 208 N ILE A 13 -2.780 -20.119 0.509 1.00 62.31 N ATOM 209 CA ILE A 13 -1.940 -19.200 1.300 1.00 61.54 C ATOM 210 C ILE A 13 -0.808 -18.604 0.423 1.00 11.12 C ATOM 211 O ILE A 13 -0.399 -17.449 0.616 1.00 3.00 O ATOM 212 CB ILE A 13 -1.357 -19.965 2.558 1.00 64.53 C ATOM 213 CG1 ILE A 13 -2.527 -20.370 3.526 1.00 33.43 C ATOM 214 CG2 ILE A 13 -0.273 -19.151 3.304 1.00 5.11 C ATOM 215 CD1 ILE A 13 -2.112 -21.181 4.744 1.00 1.31 C ATOM 0 H ILE A 13 -2.717 -21.089 0.819 1.00 62.31 H new ATOM 0 HA ILE A 13 -2.549 -18.368 1.654 1.00 61.54 H new ATOM 0 HB ILE A 13 -0.863 -20.866 2.194 1.00 64.53 H new ATOM 0 HG12 ILE A 13 -3.025 -19.462 3.867 1.00 33.43 H new ATOM 0 HG13 ILE A 13 -3.262 -20.944 2.961 1.00 33.43 H new ATOM 0 HG21 ILE A 13 0.090 -19.725 4.157 1.00 5.11 H new ATOM 0 HG22 ILE A 13 0.556 -18.943 2.627 1.00 5.11 H new ATOM 0 HG23 ILE A 13 -0.700 -18.211 3.654 1.00 5.11 H new ATOM 0 HD11 ILE A 13 -2.991 -21.409 5.346 1.00 1.31 H new ATOM 0 HD12 ILE A 13 -1.643 -22.110 4.420 1.00 1.31 H new ATOM 0 HD13 ILE A 13 -1.403 -20.606 5.340 1.00 1.31 H new ATOM 227 N GLY A 14 -0.339 -19.409 -0.553 1.00 53.32 N ATOM 228 CA GLY A 14 0.619 -18.950 -1.563 1.00 11.23 C ATOM 229 C GLY A 14 0.083 -17.788 -2.409 1.00 40.21 C ATOM 230 O GLY A 14 0.823 -16.848 -2.702 1.00 72.32 O ATOM 0 H GLY A 14 -0.615 -20.385 -0.657 1.00 53.32 H new ATOM 0 HA2 GLY A 14 1.539 -18.639 -1.069 1.00 11.23 H new ATOM 0 HA3 GLY A 14 0.875 -19.782 -2.219 1.00 11.23 H new ATOM 234 N ILE A 15 -1.220 -17.843 -2.776 1.00 32.04 N ATOM 235 CA ILE A 15 -1.886 -16.760 -3.534 1.00 51.41 C ATOM 236 C ILE A 15 -2.120 -15.543 -2.610 1.00 73.54 C ATOM 237 O ILE A 15 -1.909 -14.413 -3.035 1.00 11.43 O ATOM 238 CB ILE A 15 -3.249 -17.244 -4.227 1.00 12.11 C ATOM 239 CG1 ILE A 15 -2.984 -18.004 -5.586 1.00 44.01 C ATOM 240 CG2 ILE A 15 -4.241 -16.072 -4.474 1.00 41.30 C ATOM 241 CD1 ILE A 15 -2.229 -19.318 -5.489 1.00 24.12 C ATOM 0 H ILE A 15 -1.831 -18.630 -2.558 1.00 32.04 H new ATOM 0 HA ILE A 15 -1.224 -16.464 -4.348 1.00 51.41 H new ATOM 0 HB ILE A 15 -3.706 -17.936 -3.520 1.00 12.11 H new ATOM 0 HG12 ILE A 15 -3.945 -18.197 -6.063 1.00 44.01 H new ATOM 0 HG13 ILE A 15 -2.428 -17.339 -6.247 1.00 44.01 H new ATOM 0 HG21 ILE A 15 -5.146 -16.455 -4.945 1.00 41.30 H new ATOM 0 HG22 ILE A 15 -4.496 -15.605 -3.523 1.00 41.30 H new ATOM 0 HG23 ILE A 15 -3.776 -15.334 -5.128 1.00 41.30 H new ATOM 0 HD11 ILE A 15 -2.109 -19.743 -6.485 1.00 24.12 H new ATOM 0 HD12 ILE A 15 -1.247 -19.142 -5.049 1.00 24.12 H new ATOM 0 HD13 ILE A 15 -2.788 -20.013 -4.862 1.00 24.12 H new ATOM 253 N LEU A 16 -2.521 -15.797 -1.340 1.00 44.14 N ATOM 254 CA LEU A 16 -2.784 -14.724 -0.339 1.00 25.04 C ATOM 255 C LEU A 16 -1.536 -13.848 -0.101 1.00 21.41 C ATOM 256 O LEU A 16 -1.644 -12.634 0.021 1.00 33.31 O ATOM 257 CB LEU A 16 -3.266 -15.313 1.019 1.00 55.44 C ATOM 258 CG LEU A 16 -4.522 -16.251 0.985 1.00 14.30 C ATOM 259 CD1 LEU A 16 -5.045 -16.562 2.409 1.00 2.51 C ATOM 260 CD2 LEU A 16 -5.632 -15.700 0.062 1.00 11.30 C ATOM 0 H LEU A 16 -2.671 -16.739 -0.980 1.00 44.14 H new ATOM 0 HA LEU A 16 -3.576 -14.102 -0.755 1.00 25.04 H new ATOM 0 HB2 LEU A 16 -2.439 -15.871 1.458 1.00 55.44 H new ATOM 0 HB3 LEU A 16 -3.482 -14.482 1.690 1.00 55.44 H new ATOM 0 HG LEU A 16 -4.201 -17.199 0.553 1.00 14.30 H new ATOM 0 HD11 LEU A 16 -5.916 -17.215 2.342 1.00 2.51 H new ATOM 0 HD12 LEU A 16 -4.263 -17.058 2.984 1.00 2.51 H new ATOM 0 HD13 LEU A 16 -5.325 -15.633 2.905 1.00 2.51 H new ATOM 0 HD21 LEU A 16 -6.483 -16.382 0.069 1.00 11.30 H new ATOM 0 HD22 LEU A 16 -5.949 -14.720 0.419 1.00 11.30 H new ATOM 0 HD23 LEU A 16 -5.248 -15.609 -0.954 1.00 11.30 H new ATOM 272 N ALA A 17 -0.362 -14.497 -0.046 1.00 42.31 N ATOM 273 CA ALA A 17 0.939 -13.810 0.107 1.00 72.23 C ATOM 274 C ALA A 17 1.354 -13.121 -1.208 1.00 53.13 C ATOM 275 O ALA A 17 1.756 -11.954 -1.213 1.00 44.20 O ATOM 276 CB ALA A 17 2.012 -14.818 0.556 1.00 24.34 C ATOM 0 H ALA A 17 -0.284 -15.512 -0.106 1.00 42.31 H new ATOM 0 HA ALA A 17 0.839 -13.038 0.870 1.00 72.23 H new ATOM 0 HB1 ALA A 17 2.968 -14.306 0.667 1.00 24.34 H new ATOM 0 HB2 ALA A 17 1.722 -15.257 1.511 1.00 24.34 H new ATOM 0 HB3 ALA A 17 2.107 -15.606 -0.191 1.00 24.34 H new ATOM 282 N ALA A 18 1.211 -13.865 -2.321 1.00 23.24 N ATOM 283 CA ALA A 18 1.574 -13.400 -3.681 1.00 52.23 C ATOM 284 C ALA A 18 0.810 -12.129 -4.116 1.00 42.03 C ATOM 285 O ALA A 18 1.349 -11.322 -4.869 1.00 11.33 O ATOM 286 CB ALA A 18 1.364 -14.525 -4.711 1.00 72.25 C ATOM 0 H ALA A 18 0.838 -14.814 -2.306 1.00 23.24 H new ATOM 0 HA ALA A 18 2.630 -13.132 -3.641 1.00 52.23 H new ATOM 0 HB1 ALA A 18 1.636 -14.165 -5.703 1.00 72.25 H new ATOM 0 HB2 ALA A 18 1.990 -15.378 -4.451 1.00 72.25 H new ATOM 0 HB3 ALA A 18 0.317 -14.829 -4.709 1.00 72.25 H new ATOM 292 N ILE A 19 -0.446 -11.965 -3.656 1.00 12.24 N ATOM 293 CA ILE A 19 -1.237 -10.742 -3.930 1.00 3.50 C ATOM 294 C ILE A 19 -0.945 -9.644 -2.895 1.00 51.12 C ATOM 295 O ILE A 19 -0.866 -8.478 -3.245 1.00 75.40 O ATOM 296 CB ILE A 19 -2.783 -11.033 -4.067 1.00 62.21 C ATOM 297 CG1 ILE A 19 -3.426 -11.680 -2.789 1.00 11.31 C ATOM 298 CG2 ILE A 19 -3.052 -11.895 -5.327 1.00 31.11 C ATOM 299 CD1 ILE A 19 -3.926 -10.682 -1.760 1.00 63.14 C ATOM 0 H ILE A 19 -0.936 -12.661 -3.094 1.00 12.24 H new ATOM 0 HA ILE A 19 -0.915 -10.370 -4.903 1.00 3.50 H new ATOM 0 HB ILE A 19 -3.272 -10.065 -4.176 1.00 62.21 H new ATOM 0 HG12 ILE A 19 -4.259 -12.312 -3.097 1.00 11.31 H new ATOM 0 HG13 ILE A 19 -2.690 -12.331 -2.317 1.00 11.31 H new ATOM 0 HG21 ILE A 19 -4.121 -12.090 -5.413 1.00 31.11 H new ATOM 0 HG22 ILE A 19 -2.708 -11.361 -6.213 1.00 31.11 H new ATOM 0 HG23 ILE A 19 -2.516 -12.840 -5.242 1.00 31.11 H new ATOM 0 HD11 ILE A 19 -4.354 -11.217 -0.912 1.00 63.14 H new ATOM 0 HD12 ILE A 19 -3.095 -10.065 -1.418 1.00 63.14 H new ATOM 0 HD13 ILE A 19 -4.689 -10.046 -2.210 1.00 63.14 H new ATOM 311 N ALA A 20 -0.759 -10.050 -1.629 1.00 35.11 N ATOM 312 CA ALA A 20 -0.578 -9.123 -0.482 1.00 52.22 C ATOM 313 C ALA A 20 0.691 -8.268 -0.598 1.00 64.24 C ATOM 314 O ALA A 20 0.617 -7.047 -0.559 1.00 72.14 O ATOM 315 CB ALA A 20 -0.573 -9.900 0.840 1.00 2.02 C ATOM 0 H ALA A 20 -0.729 -11.034 -1.363 1.00 35.11 H new ATOM 0 HA ALA A 20 -1.425 -8.437 -0.499 1.00 52.22 H new ATOM 0 HB1 ALA A 20 -0.439 -9.206 1.670 1.00 2.02 H new ATOM 0 HB2 ALA A 20 -1.520 -10.426 0.956 1.00 2.02 H new ATOM 0 HB3 ALA A 20 0.244 -10.621 0.835 1.00 2.02 H new ATOM 321 N ILE A 21 1.842 -8.934 -0.760 1.00 11.21 N ATOM 322 CA ILE A 21 3.174 -8.281 -0.782 1.00 11.03 C ATOM 323 C ILE A 21 3.288 -7.124 -1.826 1.00 3.33 C ATOM 324 O ILE A 21 3.648 -6.025 -1.431 1.00 2.13 O ATOM 325 CB ILE A 21 4.309 -9.362 -0.970 1.00 64.34 C ATOM 326 CG1 ILE A 21 4.381 -10.283 0.298 1.00 2.41 C ATOM 327 CG2 ILE A 21 5.680 -8.709 -1.293 1.00 61.00 C ATOM 328 CD1 ILE A 21 4.853 -11.703 0.025 1.00 4.45 C ATOM 0 H ILE A 21 1.884 -9.946 -0.881 1.00 11.21 H new ATOM 0 HA ILE A 21 3.307 -7.799 0.187 1.00 11.03 H new ATOM 0 HB ILE A 21 4.058 -9.982 -1.831 1.00 64.34 H new ATOM 0 HG12 ILE A 21 5.051 -9.825 1.025 1.00 2.41 H new ATOM 0 HG13 ILE A 21 3.393 -10.325 0.757 1.00 2.41 H new ATOM 0 HG21 ILE A 21 6.434 -9.487 -1.415 1.00 61.00 H new ATOM 0 HG22 ILE A 21 5.600 -8.133 -2.215 1.00 61.00 H new ATOM 0 HG23 ILE A 21 5.970 -8.048 -0.476 1.00 61.00 H new ATOM 0 HD11 ILE A 21 4.871 -12.266 0.958 1.00 4.45 H new ATOM 0 HD12 ILE A 21 4.171 -12.185 -0.676 1.00 4.45 H new ATOM 0 HD13 ILE A 21 5.855 -11.677 -0.403 1.00 4.45 H new ATOM 340 N PRO A 22 2.990 -7.320 -3.157 1.00 44.00 N ATOM 341 CA PRO A 22 3.017 -6.197 -4.133 1.00 72.23 C ATOM 342 C PRO A 22 1.929 -5.140 -3.861 1.00 15.34 C ATOM 343 O PRO A 22 2.182 -3.951 -3.966 1.00 10.50 O ATOM 344 CB PRO A 22 2.760 -6.881 -5.492 1.00 72.42 C ATOM 345 CG PRO A 22 2.055 -8.159 -5.149 1.00 22.25 C ATOM 346 CD PRO A 22 2.634 -8.601 -3.830 1.00 72.50 C ATOM 0 HA PRO A 22 3.961 -5.654 -4.082 1.00 72.23 H new ATOM 0 HB2 PRO A 22 2.149 -6.254 -6.141 1.00 72.42 H new ATOM 0 HB3 PRO A 22 3.693 -7.074 -6.021 1.00 72.42 H new ATOM 0 HG2 PRO A 22 0.979 -8.004 -5.072 1.00 22.25 H new ATOM 0 HG3 PRO A 22 2.215 -8.913 -5.919 1.00 22.25 H new ATOM 0 HD2 PRO A 22 1.912 -9.173 -3.247 1.00 72.50 H new ATOM 0 HD3 PRO A 22 3.508 -9.237 -3.969 1.00 72.50 H new ATOM 354 N GLN A 23 0.728 -5.616 -3.498 1.00 63.23 N ATOM 355 CA GLN A 23 -0.455 -4.754 -3.246 1.00 65.33 C ATOM 356 C GLN A 23 -0.171 -3.754 -2.117 1.00 60.42 C ATOM 357 O GLN A 23 -0.487 -2.574 -2.220 1.00 11.42 O ATOM 358 CB GLN A 23 -1.665 -5.643 -2.859 1.00 21.33 C ATOM 359 CG GLN A 23 -2.955 -4.907 -2.438 1.00 21.15 C ATOM 360 CD GLN A 23 -3.996 -5.825 -1.787 1.00 11.23 C ATOM 361 OE1 GLN A 23 -5.198 -5.612 -1.916 1.00 42.44 O ATOM 362 NE2 GLN A 23 -3.544 -6.817 -1.028 1.00 22.01 N ATOM 0 H GLN A 23 0.541 -6.610 -3.369 1.00 63.23 H new ATOM 0 HA GLN A 23 -0.679 -4.195 -4.154 1.00 65.33 H new ATOM 0 HB2 GLN A 23 -1.901 -6.286 -3.707 1.00 21.33 H new ATOM 0 HB3 GLN A 23 -1.361 -6.294 -2.040 1.00 21.33 H new ATOM 0 HG2 GLN A 23 -2.698 -4.110 -1.741 1.00 21.15 H new ATOM 0 HG3 GLN A 23 -3.397 -4.434 -3.315 1.00 21.15 H new ATOM 0 HE21 GLN A 23 -2.540 -6.973 -0.937 1.00 22.01 H new ATOM 0 HE22 GLN A 23 -4.201 -7.423 -0.536 1.00 22.01 H new ATOM 371 N PHE A 24 0.493 -4.262 -1.078 1.00 14.03 N ATOM 372 CA PHE A 24 0.721 -3.521 0.187 1.00 10.23 C ATOM 373 C PHE A 24 2.059 -2.764 0.178 1.00 52.32 C ATOM 374 O PHE A 24 2.153 -1.689 0.770 1.00 12.42 O ATOM 375 CB PHE A 24 0.619 -4.462 1.415 1.00 42.34 C ATOM 376 CG PHE A 24 -0.797 -4.984 1.696 1.00 61.11 C ATOM 377 CD1 PHE A 24 -1.901 -4.128 1.622 1.00 21.31 C ATOM 378 CD2 PHE A 24 -1.025 -6.312 2.055 1.00 34.40 C ATOM 379 CE1 PHE A 24 -3.176 -4.587 1.892 1.00 54.03 C ATOM 380 CE2 PHE A 24 -2.299 -6.769 2.324 1.00 0.03 C ATOM 381 CZ PHE A 24 -3.374 -5.906 2.242 1.00 31.14 C ATOM 0 H PHE A 24 0.893 -5.200 -1.079 1.00 14.03 H new ATOM 0 HA PHE A 24 -0.070 -2.775 0.268 1.00 10.23 H new ATOM 0 HB2 PHE A 24 1.283 -5.313 1.262 1.00 42.34 H new ATOM 0 HB3 PHE A 24 0.979 -3.931 2.296 1.00 42.34 H new ATOM 0 HD1 PHE A 24 -1.755 -3.093 1.350 1.00 21.31 H new ATOM 0 HD2 PHE A 24 -0.191 -6.994 2.124 1.00 34.40 H new ATOM 0 HE1 PHE A 24 -4.017 -3.913 1.829 1.00 54.03 H new ATOM 0 HE2 PHE A 24 -2.455 -7.802 2.599 1.00 0.03 H new ATOM 0 HZ PHE A 24 -4.371 -6.265 2.452 1.00 31.14 H new ATOM 391 N SER A 25 3.093 -3.326 -0.482 1.00 44.33 N ATOM 392 CA SER A 25 4.366 -2.591 -0.725 1.00 4.42 C ATOM 393 C SER A 25 4.105 -1.341 -1.591 1.00 13.23 C ATOM 394 O SER A 25 4.440 -0.221 -1.195 1.00 2.12 O ATOM 395 CB SER A 25 5.420 -3.502 -1.397 1.00 62.42 C ATOM 396 OG SER A 25 6.629 -2.808 -1.678 1.00 34.01 O ATOM 0 H SER A 25 3.079 -4.275 -0.855 1.00 44.33 H new ATOM 0 HA SER A 25 4.763 -2.276 0.240 1.00 4.42 H new ATOM 0 HB2 SER A 25 5.633 -4.350 -0.746 1.00 62.42 H new ATOM 0 HB3 SER A 25 5.011 -3.906 -2.323 1.00 62.42 H new ATOM 0 HG SER A 25 7.267 -3.420 -2.100 1.00 34.01 H new ATOM 402 N ALA A 26 3.451 -1.556 -2.749 1.00 73.44 N ATOM 403 CA ALA A 26 3.044 -0.470 -3.668 1.00 32.31 C ATOM 404 C ALA A 26 2.020 0.488 -3.026 1.00 4.33 C ATOM 405 O ALA A 26 1.960 1.650 -3.406 1.00 43.13 O ATOM 406 CB ALA A 26 2.475 -1.053 -4.970 1.00 12.45 C ATOM 0 H ALA A 26 3.189 -2.486 -3.075 1.00 73.44 H new ATOM 0 HA ALA A 26 3.939 0.110 -3.891 1.00 32.31 H new ATOM 0 HB1 ALA A 26 2.181 -0.241 -5.634 1.00 12.45 H new ATOM 0 HB2 ALA A 26 3.235 -1.664 -5.458 1.00 12.45 H new ATOM 0 HB3 ALA A 26 1.605 -1.669 -4.743 1.00 12.45 H new ATOM 412 N TYR A 27 1.223 -0.017 -2.059 1.00 52.31 N ATOM 413 CA TYR A 27 0.242 0.805 -1.311 1.00 41.33 C ATOM 414 C TYR A 27 0.943 1.855 -0.435 1.00 43.14 C ATOM 415 O TYR A 27 0.552 3.015 -0.428 1.00 54.11 O ATOM 416 CB TYR A 27 -0.621 -0.085 -0.400 1.00 25.01 C ATOM 417 CG TYR A 27 -1.779 0.651 0.293 1.00 52.21 C ATOM 418 CD1 TYR A 27 -2.892 1.078 -0.437 1.00 61.21 C ATOM 419 CD2 TYR A 27 -1.757 0.937 1.664 1.00 32.51 C ATOM 420 CE1 TYR A 27 -3.931 1.759 0.167 1.00 31.03 C ATOM 421 CE2 TYR A 27 -2.798 1.614 2.272 1.00 11.54 C ATOM 422 CZ TYR A 27 -3.882 2.023 1.518 1.00 1.33 C ATOM 423 OH TYR A 27 -4.921 2.705 2.119 1.00 0.44 O ATOM 0 H TYR A 27 1.239 -0.997 -1.776 1.00 52.31 H new ATOM 0 HA TYR A 27 -0.383 1.309 -2.048 1.00 41.33 H new ATOM 0 HB2 TYR A 27 -1.030 -0.903 -0.993 1.00 25.01 H new ATOM 0 HB3 TYR A 27 0.018 -0.532 0.362 1.00 25.01 H new ATOM 0 HD1 TYR A 27 -2.941 0.871 -1.496 1.00 61.21 H new ATOM 0 HD2 TYR A 27 -0.911 0.623 2.257 1.00 32.51 H new ATOM 0 HE1 TYR A 27 -4.779 2.083 -0.418 1.00 31.03 H new ATOM 0 HE2 TYR A 27 -2.764 1.822 3.331 1.00 11.54 H new ATOM 0 HH TYR A 27 -4.734 2.809 3.075 1.00 0.44 H new ATOM 433 N ARG A 28 1.949 1.396 0.326 1.00 15.12 N ATOM 434 CA ARG A 28 2.729 2.249 1.244 1.00 43.22 C ATOM 435 C ARG A 28 3.582 3.266 0.479 1.00 24.45 C ATOM 436 O ARG A 28 3.854 4.360 0.987 1.00 73.33 O ATOM 437 CB ARG A 28 3.630 1.372 2.155 1.00 60.13 C ATOM 438 CG ARG A 28 2.866 0.407 3.079 1.00 45.45 C ATOM 439 CD ARG A 28 1.945 1.127 4.071 1.00 54.12 C ATOM 440 NE ARG A 28 1.222 0.170 4.920 1.00 51.04 N ATOM 441 CZ ARG A 28 1.056 0.263 6.222 1.00 32.43 C ATOM 442 NH1 ARG A 28 1.605 1.211 6.910 1.00 64.42 N ATOM 443 NH2 ARG A 28 0.347 -0.622 6.835 1.00 61.42 N ATOM 0 H ARG A 28 2.247 0.421 0.324 1.00 15.12 H new ATOM 0 HA ARG A 28 2.024 2.804 1.863 1.00 43.22 H new ATOM 0 HB2 ARG A 28 4.305 0.792 1.525 1.00 60.13 H new ATOM 0 HB3 ARG A 28 4.249 2.026 2.768 1.00 60.13 H new ATOM 0 HG2 ARG A 28 2.272 -0.275 2.471 1.00 45.45 H new ATOM 0 HG3 ARG A 28 3.582 -0.200 3.632 1.00 45.45 H new ATOM 0 HD2 ARG A 28 2.534 1.798 4.696 1.00 54.12 H new ATOM 0 HD3 ARG A 28 1.231 1.744 3.526 1.00 54.12 H new ATOM 0 HE ARG A 28 0.811 -0.641 4.458 1.00 51.04 H new ATOM 0 HH11 ARG A 28 2.183 1.910 6.444 1.00 64.42 H new ATOM 0 HH12 ARG A 28 1.460 1.259 7.918 1.00 64.42 H new ATOM 0 HH21 ARG A 28 -0.080 -1.386 6.311 1.00 61.42 H new ATOM 0 HH22 ARG A 28 0.213 -0.558 7.844 1.00 61.42 H new ATOM 457 N VAL A 29 3.997 2.890 -0.741 1.00 22.44 N ATOM 458 CA VAL A 29 4.766 3.806 -1.624 1.00 60.35 C ATOM 459 C VAL A 29 3.829 4.892 -2.170 1.00 43.22 C ATOM 460 O VAL A 29 4.122 6.084 -2.085 1.00 45.44 O ATOM 461 CB VAL A 29 5.484 3.053 -2.807 1.00 44.01 C ATOM 462 CG1 VAL A 29 6.221 4.038 -3.750 1.00 33.42 C ATOM 463 CG2 VAL A 29 6.460 1.987 -2.265 1.00 52.14 C ATOM 0 H VAL A 29 3.820 1.970 -1.143 1.00 22.44 H new ATOM 0 HA VAL A 29 5.554 4.259 -1.023 1.00 60.35 H new ATOM 0 HB VAL A 29 4.712 2.552 -3.391 1.00 44.01 H new ATOM 0 HG11 VAL A 29 6.704 3.481 -4.553 1.00 33.42 H new ATOM 0 HG12 VAL A 29 5.504 4.740 -4.176 1.00 33.42 H new ATOM 0 HG13 VAL A 29 6.975 4.587 -3.186 1.00 33.42 H new ATOM 0 HG21 VAL A 29 6.944 1.480 -3.099 1.00 52.14 H new ATOM 0 HG22 VAL A 29 7.216 2.468 -1.644 1.00 52.14 H new ATOM 0 HG23 VAL A 29 5.910 1.260 -1.668 1.00 52.14 H new ATOM 473 N LYS A 30 2.682 4.437 -2.682 1.00 2.23 N ATOM 474 CA LYS A 30 1.566 5.289 -3.129 1.00 23.50 C ATOM 475 C LYS A 30 1.102 6.243 -2.000 1.00 54.10 C ATOM 476 O LYS A 30 0.839 7.416 -2.250 1.00 1.51 O ATOM 477 CB LYS A 30 0.407 4.354 -3.612 1.00 13.33 C ATOM 478 CG LYS A 30 -1.030 4.773 -3.232 1.00 24.50 C ATOM 479 CD LYS A 30 -2.043 3.638 -3.469 1.00 11.15 C ATOM 480 CE LYS A 30 -3.455 3.992 -2.973 1.00 51.12 C ATOM 481 NZ LYS A 30 -3.997 5.186 -3.665 1.00 74.51 N ATOM 0 H LYS A 30 2.495 3.442 -2.802 1.00 2.23 H new ATOM 0 HA LYS A 30 1.888 5.926 -3.953 1.00 23.50 H new ATOM 0 HB2 LYS A 30 0.463 4.277 -4.698 1.00 13.33 H new ATOM 0 HB3 LYS A 30 0.587 3.356 -3.212 1.00 13.33 H new ATOM 0 HG2 LYS A 30 -1.056 5.069 -2.183 1.00 24.50 H new ATOM 0 HG3 LYS A 30 -1.320 5.646 -3.817 1.00 24.50 H new ATOM 0 HD2 LYS A 30 -2.083 3.408 -4.534 1.00 11.15 H new ATOM 0 HD3 LYS A 30 -1.699 2.737 -2.961 1.00 11.15 H new ATOM 0 HE2 LYS A 30 -4.121 3.144 -3.135 1.00 51.12 H new ATOM 0 HE3 LYS A 30 -3.428 4.175 -1.899 1.00 51.12 H new ATOM 0 HZ1 LYS A 30 -4.975 5.354 -3.354 1.00 74.51 H new ATOM 0 HZ2 LYS A 30 -3.413 6.015 -3.435 1.00 74.51 H new ATOM 0 HZ3 LYS A 30 -3.983 5.028 -4.693 1.00 74.51 H new ATOM 495 N ALA A 31 1.052 5.723 -0.760 1.00 31.23 N ATOM 496 CA ALA A 31 0.511 6.461 0.398 1.00 33.41 C ATOM 497 C ALA A 31 1.483 7.547 0.850 1.00 72.04 C ATOM 498 O ALA A 31 1.078 8.676 1.113 1.00 40.01 O ATOM 499 CB ALA A 31 0.226 5.514 1.562 1.00 63.33 C ATOM 0 H ALA A 31 1.383 4.785 -0.532 1.00 31.23 H new ATOM 0 HA ALA A 31 -0.423 6.928 0.085 1.00 33.41 H new ATOM 0 HB1 ALA A 31 -0.172 6.081 2.403 1.00 63.33 H new ATOM 0 HB2 ALA A 31 -0.503 4.765 1.252 1.00 63.33 H new ATOM 0 HB3 ALA A 31 1.149 5.019 1.862 1.00 63.33 H new ATOM 505 N TYR A 32 2.771 7.176 0.935 1.00 21.43 N ATOM 506 CA TYR A 32 3.839 8.093 1.345 1.00 13.40 C ATOM 507 C TYR A 32 3.995 9.240 0.323 1.00 52.20 C ATOM 508 O TYR A 32 4.214 10.372 0.709 1.00 43.51 O ATOM 509 CB TYR A 32 5.175 7.323 1.534 1.00 12.33 C ATOM 510 CG TYR A 32 6.295 8.145 2.197 1.00 42.53 C ATOM 511 CD1 TYR A 32 6.361 8.278 3.590 1.00 43.15 C ATOM 512 CD2 TYR A 32 7.281 8.793 1.441 1.00 22.44 C ATOM 513 CE1 TYR A 32 7.358 9.022 4.196 1.00 22.40 C ATOM 514 CE2 TYR A 32 8.274 9.535 2.046 1.00 0.44 C ATOM 515 CZ TYR A 32 8.310 9.646 3.420 1.00 72.11 C ATOM 516 OH TYR A 32 9.306 10.390 4.020 1.00 35.24 O ATOM 0 H TYR A 32 3.097 6.234 0.721 1.00 21.43 H new ATOM 0 HA TYR A 32 3.567 8.535 2.303 1.00 13.40 H new ATOM 0 HB2 TYR A 32 4.986 6.435 2.138 1.00 12.33 H new ATOM 0 HB3 TYR A 32 5.522 6.978 0.560 1.00 12.33 H new ATOM 0 HD1 TYR A 32 5.618 7.790 4.204 1.00 43.15 H new ATOM 0 HD2 TYR A 32 7.263 8.710 0.364 1.00 22.44 H new ATOM 0 HE1 TYR A 32 7.390 9.113 5.272 1.00 22.40 H new ATOM 0 HE2 TYR A 32 9.023 10.029 1.444 1.00 0.44 H new ATOM 0 HH TYR A 32 9.896 10.762 3.332 1.00 35.24 H new ATOM 526 N ASN A 33 3.834 8.912 -0.966 1.00 71.11 N ATOM 527 CA ASN A 33 3.924 9.886 -2.083 1.00 25.21 C ATOM 528 C ASN A 33 2.693 10.822 -2.143 1.00 51.11 C ATOM 529 O ASN A 33 2.841 12.015 -2.381 1.00 63.23 O ATOM 530 CB ASN A 33 4.116 9.168 -3.448 1.00 51.15 C ATOM 531 CG ASN A 33 5.461 8.445 -3.570 1.00 41.50 C ATOM 532 OD1 ASN A 33 6.450 8.843 -2.973 1.00 42.33 O ATOM 533 ND2 ASN A 33 5.514 7.392 -4.361 1.00 71.32 N ATOM 0 H ASN A 33 3.636 7.960 -1.274 1.00 71.11 H new ATOM 0 HA ASN A 33 4.802 10.501 -1.886 1.00 25.21 H new ATOM 0 HB2 ASN A 33 3.310 8.447 -3.588 1.00 51.15 H new ATOM 0 HB3 ASN A 33 4.031 9.900 -4.251 1.00 51.15 H new ATOM 0 HD21 ASN A 33 6.394 6.891 -4.485 1.00 71.32 H new ATOM 0 HD22 ASN A 33 4.675 7.078 -4.849 1.00 71.32 H new ATOM 540 N SER A 34 1.491 10.258 -1.934 1.00 1.24 N ATOM 541 CA SER A 34 0.208 11.026 -1.975 1.00 62.44 C ATOM 542 C SER A 34 0.109 11.996 -0.783 1.00 32.51 C ATOM 543 O SER A 34 -0.184 13.185 -0.958 1.00 35.21 O ATOM 544 CB SER A 34 -1.018 10.077 -1.967 1.00 75.12 C ATOM 545 OG SER A 34 -1.026 9.226 -3.101 1.00 65.23 O ATOM 0 H SER A 34 1.368 9.266 -1.732 1.00 1.24 H new ATOM 0 HA SER A 34 0.205 11.597 -2.904 1.00 62.44 H new ATOM 0 HB2 SER A 34 -1.006 9.474 -1.059 1.00 75.12 H new ATOM 0 HB3 SER A 34 -1.935 10.666 -1.947 1.00 75.12 H new ATOM 0 HG SER A 34 -0.389 8.494 -2.965 1.00 65.23 H new ATOM 551 N ALA A 35 0.360 11.459 0.425 1.00 23.01 N ATOM 552 CA ALA A 35 0.391 12.243 1.675 1.00 22.22 C ATOM 553 C ALA A 35 1.508 13.300 1.645 1.00 52.33 C ATOM 554 O ALA A 35 1.299 14.408 2.115 1.00 20.22 O ATOM 555 CB ALA A 35 0.563 11.327 2.892 1.00 44.55 C ATOM 0 H ALA A 35 0.548 10.466 0.563 1.00 23.01 H new ATOM 0 HA ALA A 35 -0.565 12.760 1.760 1.00 22.22 H new ATOM 0 HB1 ALA A 35 0.583 11.929 3.801 1.00 44.55 H new ATOM 0 HB2 ALA A 35 -0.270 10.625 2.940 1.00 44.55 H new ATOM 0 HB3 ALA A 35 1.498 10.775 2.802 1.00 44.55 H new ATOM 561 N ALA A 36 2.691 12.932 1.097 1.00 71.15 N ATOM 562 CA ALA A 36 3.821 13.892 0.901 1.00 11.02 C ATOM 563 C ALA A 36 3.447 15.048 -0.056 1.00 21.11 C ATOM 564 O ALA A 36 3.723 16.210 0.240 1.00 71.52 O ATOM 565 CB ALA A 36 5.081 13.183 0.383 1.00 51.31 C ATOM 0 H ALA A 36 2.894 11.983 0.782 1.00 71.15 H new ATOM 0 HA ALA A 36 4.032 14.316 1.883 1.00 11.02 H new ATOM 0 HB1 ALA A 36 5.881 13.912 0.253 1.00 51.31 H new ATOM 0 HB2 ALA A 36 5.394 12.426 1.102 1.00 51.31 H new ATOM 0 HB3 ALA A 36 4.864 12.708 -0.574 1.00 51.31 H new ATOM 571 N SER A 37 2.821 14.703 -1.200 1.00 10.32 N ATOM 572 CA SER A 37 2.374 15.691 -2.227 1.00 65.31 C ATOM 573 C SER A 37 1.357 16.690 -1.639 1.00 33.24 C ATOM 574 O SER A 37 1.438 17.903 -1.879 1.00 73.24 O ATOM 575 CB SER A 37 1.744 14.970 -3.447 1.00 53.50 C ATOM 576 OG SER A 37 2.684 14.142 -4.117 1.00 44.40 O ATOM 0 H SER A 37 2.607 13.736 -1.446 1.00 10.32 H new ATOM 0 HA SER A 37 3.256 16.242 -2.552 1.00 65.31 H new ATOM 0 HB2 SER A 37 0.900 14.366 -3.115 1.00 53.50 H new ATOM 0 HB3 SER A 37 1.352 15.711 -4.144 1.00 53.50 H new ATOM 0 HG SER A 37 2.897 13.368 -3.555 1.00 44.40 H new ATOM 582 N SER A 38 0.410 16.152 -0.856 1.00 50.31 N ATOM 583 CA SER A 38 -0.637 16.954 -0.194 1.00 55.54 C ATOM 584 C SER A 38 -0.073 17.758 0.981 1.00 45.54 C ATOM 585 O SER A 38 -0.528 18.858 1.240 1.00 73.43 O ATOM 586 CB SER A 38 -1.803 16.052 0.276 1.00 53.34 C ATOM 587 OG SER A 38 -2.360 15.305 -0.804 1.00 51.10 O ATOM 0 H SER A 38 0.346 15.153 -0.663 1.00 50.31 H new ATOM 0 HA SER A 38 -1.019 17.663 -0.928 1.00 55.54 H new ATOM 0 HB2 SER A 38 -1.446 15.368 1.046 1.00 53.34 H new ATOM 0 HB3 SER A 38 -2.579 16.668 0.731 1.00 53.34 H new ATOM 0 HG SER A 38 -1.784 14.537 -1.002 1.00 51.10 H new ATOM 593 N ASP A 39 0.922 17.193 1.673 1.00 1.13 N ATOM 594 CA ASP A 39 1.636 17.870 2.778 1.00 72.02 C ATOM 595 C ASP A 39 2.332 19.163 2.290 1.00 43.22 C ATOM 596 O ASP A 39 2.092 20.244 2.825 1.00 24.41 O ATOM 597 CB ASP A 39 2.677 16.900 3.382 1.00 51.24 C ATOM 598 CG ASP A 39 3.519 17.502 4.521 1.00 61.30 C ATOM 599 OD1 ASP A 39 2.937 17.972 5.519 1.00 14.01 O ATOM 600 OD2 ASP A 39 4.763 17.489 4.434 1.00 12.11 O ATOM 0 H ASP A 39 1.261 16.249 1.487 1.00 1.13 H new ATOM 0 HA ASP A 39 0.909 18.153 3.540 1.00 72.02 H new ATOM 0 HB2 ASP A 39 2.159 16.017 3.757 1.00 51.24 H new ATOM 0 HB3 ASP A 39 3.346 16.565 2.590 1.00 51.24 H new ATOM 605 N LEU A 40 3.148 19.034 1.221 1.00 33.42 N ATOM 606 CA LEU A 40 4.014 20.145 0.748 1.00 44.32 C ATOM 607 C LEU A 40 3.178 21.262 0.096 1.00 43.42 C ATOM 608 O LEU A 40 3.518 22.447 0.190 1.00 65.44 O ATOM 609 CB LEU A 40 5.160 19.607 -0.178 1.00 5.25 C ATOM 610 CG LEU A 40 4.763 18.754 -1.440 1.00 35.45 C ATOM 611 CD1 LEU A 40 4.260 19.616 -2.615 1.00 45.02 C ATOM 612 CD2 LEU A 40 5.928 17.846 -1.892 1.00 33.34 C ATOM 0 H LEU A 40 3.228 18.179 0.670 1.00 33.42 H new ATOM 0 HA LEU A 40 4.504 20.598 1.610 1.00 44.32 H new ATOM 0 HB2 LEU A 40 5.737 20.464 -0.525 1.00 5.25 H new ATOM 0 HB3 LEU A 40 5.827 19.001 0.436 1.00 5.25 H new ATOM 0 HG LEU A 40 3.929 18.125 -1.130 1.00 35.45 H new ATOM 0 HD11 LEU A 40 4.002 18.971 -3.455 1.00 45.02 H new ATOM 0 HD12 LEU A 40 3.379 20.177 -2.304 1.00 45.02 H new ATOM 0 HD13 LEU A 40 5.043 20.311 -2.918 1.00 45.02 H new ATOM 0 HD21 LEU A 40 5.622 17.270 -2.765 1.00 33.34 H new ATOM 0 HD22 LEU A 40 6.791 18.461 -2.147 1.00 33.34 H new ATOM 0 HD23 LEU A 40 6.194 17.165 -1.083 1.00 33.34 H new ATOM 624 N ARG A 41 2.057 20.868 -0.531 1.00 21.40 N ATOM 625 CA ARG A 41 1.153 21.798 -1.218 1.00 12.33 C ATOM 626 C ARG A 41 0.214 22.503 -0.209 1.00 54.24 C ATOM 627 O ARG A 41 -0.022 23.705 -0.327 1.00 15.31 O ATOM 628 CB ARG A 41 0.343 21.043 -2.304 1.00 64.42 C ATOM 629 CG ARG A 41 -0.573 21.948 -3.152 1.00 53.54 C ATOM 630 CD ARG A 41 -1.288 21.200 -4.288 1.00 24.42 C ATOM 631 NE ARG A 41 -0.347 20.632 -5.271 1.00 32.44 N ATOM 632 CZ ARG A 41 -0.680 20.093 -6.425 1.00 53.15 C ATOM 633 NH1 ARG A 41 -1.922 19.956 -6.787 1.00 13.03 N ATOM 634 NH2 ARG A 41 0.246 19.674 -7.212 1.00 23.43 N ATOM 0 H ARG A 41 1.754 19.895 -0.574 1.00 21.40 H new ATOM 0 HA ARG A 41 1.748 22.570 -1.705 1.00 12.33 H new ATOM 0 HB2 ARG A 41 1.038 20.526 -2.966 1.00 64.42 H new ATOM 0 HB3 ARG A 41 -0.266 20.279 -1.821 1.00 64.42 H new ATOM 0 HG2 ARG A 41 -1.319 22.407 -2.503 1.00 53.54 H new ATOM 0 HG3 ARG A 41 0.021 22.757 -3.577 1.00 53.54 H new ATOM 0 HD2 ARG A 41 -1.894 20.399 -3.866 1.00 24.42 H new ATOM 0 HD3 ARG A 41 -1.970 21.883 -4.795 1.00 24.42 H new ATOM 0 HE ARG A 41 0.645 20.659 -5.037 1.00 32.44 H new ATOM 0 HH11 ARG A 41 -2.671 20.270 -6.170 1.00 13.03 H new ATOM 0 HH12 ARG A 41 -2.147 19.534 -7.688 1.00 13.03 H new ATOM 0 HH21 ARG A 41 1.225 19.761 -6.939 1.00 23.43 H new ATOM 0 HH22 ARG A 41 0.002 19.254 -8.109 1.00 23.43 H new ATOM 648 N ASN A 42 -0.296 21.747 0.789 1.00 53.03 N ATOM 649 CA ASN A 42 -1.233 22.288 1.812 1.00 43.41 C ATOM 650 C ASN A 42 -0.546 23.307 2.753 1.00 34.22 C ATOM 651 O ASN A 42 -1.155 24.309 3.131 1.00 54.33 O ATOM 652 CB ASN A 42 -1.872 21.149 2.640 1.00 34.20 C ATOM 653 CG ASN A 42 -3.009 21.626 3.547 1.00 71.01 C ATOM 654 OD1 ASN A 42 -2.802 21.980 4.697 1.00 4.32 O ATOM 655 ND2 ASN A 42 -4.220 21.647 3.027 1.00 51.35 N ATOM 0 H ASN A 42 -0.077 20.758 0.912 1.00 53.03 H new ATOM 0 HA ASN A 42 -2.018 22.814 1.269 1.00 43.41 H new ATOM 0 HB2 ASN A 42 -2.253 20.386 1.962 1.00 34.20 H new ATOM 0 HB3 ASN A 42 -1.102 20.677 3.251 1.00 34.20 H new ATOM 0 HD21 ASN A 42 -5.011 21.964 3.588 1.00 51.35 H new ATOM 0 HD22 ASN A 42 -4.367 21.346 2.063 1.00 51.35 H new ATOM 662 N LEU A 43 0.721 23.048 3.120 1.00 22.15 N ATOM 663 CA LEU A 43 1.497 23.956 4.000 1.00 54.22 C ATOM 664 C LEU A 43 1.856 25.271 3.275 1.00 1.51 C ATOM 665 O LEU A 43 1.992 26.325 3.912 1.00 11.45 O ATOM 666 CB LEU A 43 2.781 23.254 4.512 1.00 2.23 C ATOM 667 CG LEU A 43 2.568 22.023 5.453 1.00 24.43 C ATOM 668 CD1 LEU A 43 3.918 21.399 5.882 1.00 14.44 C ATOM 669 CD2 LEU A 43 1.703 22.393 6.684 1.00 24.25 C ATOM 0 H LEU A 43 1.235 22.218 2.824 1.00 22.15 H new ATOM 0 HA LEU A 43 0.869 24.205 4.855 1.00 54.22 H new ATOM 0 HB2 LEU A 43 3.361 22.928 3.648 1.00 2.23 H new ATOM 0 HB3 LEU A 43 3.385 23.990 5.042 1.00 2.23 H new ATOM 0 HG LEU A 43 2.023 21.269 4.884 1.00 24.43 H new ATOM 0 HD11 LEU A 43 3.733 20.546 6.535 1.00 14.44 H new ATOM 0 HD12 LEU A 43 4.463 21.068 4.998 1.00 14.44 H new ATOM 0 HD13 LEU A 43 4.510 22.143 6.415 1.00 14.44 H new ATOM 0 HD21 LEU A 43 1.575 21.514 7.316 1.00 24.25 H new ATOM 0 HD22 LEU A 43 2.198 23.180 7.253 1.00 24.25 H new ATOM 0 HD23 LEU A 43 0.727 22.745 6.350 1.00 24.25 H new ATOM 681 N LYS A 44 1.995 25.187 1.943 1.00 51.42 N ATOM 682 CA LYS A 44 2.258 26.354 1.095 1.00 20.20 C ATOM 683 C LYS A 44 0.961 27.156 0.866 1.00 22.41 C ATOM 684 O LYS A 44 0.958 28.369 0.986 1.00 71.31 O ATOM 685 CB LYS A 44 2.863 25.913 -0.258 1.00 44.41 C ATOM 686 CG LYS A 44 3.093 27.082 -1.251 1.00 14.41 C ATOM 687 CD LYS A 44 3.662 26.626 -2.606 1.00 72.32 C ATOM 688 CE LYS A 44 3.775 27.783 -3.614 1.00 12.11 C ATOM 689 NZ LYS A 44 4.238 27.316 -4.944 1.00 1.50 N ATOM 0 H LYS A 44 1.928 24.310 1.427 1.00 51.42 H new ATOM 0 HA LYS A 44 2.977 26.995 1.604 1.00 20.20 H new ATOM 0 HB2 LYS A 44 3.814 25.412 -0.074 1.00 44.41 H new ATOM 0 HB3 LYS A 44 2.201 25.181 -0.720 1.00 44.41 H new ATOM 0 HG2 LYS A 44 2.148 27.600 -1.417 1.00 14.41 H new ATOM 0 HG3 LYS A 44 3.777 27.802 -0.802 1.00 14.41 H new ATOM 0 HD2 LYS A 44 4.646 26.183 -2.453 1.00 72.32 H new ATOM 0 HD3 LYS A 44 3.023 25.847 -3.022 1.00 72.32 H new ATOM 0 HE2 LYS A 44 2.805 28.270 -3.718 1.00 12.11 H new ATOM 0 HE3 LYS A 44 4.468 28.532 -3.231 1.00 12.11 H new ATOM 0 HZ1 LYS A 44 4.301 28.126 -5.594 1.00 1.50 H new ATOM 0 HZ2 LYS A 44 5.175 26.874 -4.850 1.00 1.50 H new ATOM 0 HZ3 LYS A 44 3.563 26.620 -5.322 1.00 1.50 H new ATOM 703 N THR A 45 -0.146 26.444 0.559 1.00 30.05 N ATOM 704 CA THR A 45 -1.457 27.068 0.238 1.00 35.34 C ATOM 705 C THR A 45 -2.062 27.746 1.485 1.00 5.33 C ATOM 706 O THR A 45 -2.792 28.735 1.382 1.00 31.23 O ATOM 707 CB THR A 45 -2.462 26.027 -0.381 1.00 5.40 C ATOM 708 OG1 THR A 45 -3.446 26.702 -1.184 1.00 32.41 O ATOM 709 CG2 THR A 45 -3.199 25.178 0.668 1.00 42.13 C ATOM 0 H THR A 45 -0.160 25.425 0.526 1.00 30.05 H new ATOM 0 HA THR A 45 -1.279 27.835 -0.516 1.00 35.34 H new ATOM 0 HB THR A 45 -1.851 25.354 -0.983 1.00 5.40 H new ATOM 0 HG1 THR A 45 -4.065 26.044 -1.565 1.00 32.41 H new ATOM 0 HG21 THR A 45 -3.873 24.484 0.166 1.00 42.13 H new ATOM 0 HG22 THR A 45 -2.473 24.617 1.257 1.00 42.13 H new ATOM 0 HG23 THR A 45 -3.773 25.830 1.326 1.00 42.13 H new ATOM 717 N ALA A 46 -1.731 27.176 2.661 1.00 63.14 N ATOM 718 CA ALA A 46 -2.008 27.780 3.977 1.00 0.03 C ATOM 719 C ALA A 46 -1.342 29.168 4.088 1.00 2.22 C ATOM 720 O ALA A 46 -1.958 30.111 4.554 1.00 62.43 O ATOM 721 CB ALA A 46 -1.516 26.855 5.110 1.00 32.33 C ATOM 0 H ALA A 46 -1.259 26.274 2.723 1.00 63.14 H new ATOM 0 HA ALA A 46 -3.086 27.906 4.076 1.00 0.03 H new ATOM 0 HB1 ALA A 46 -1.728 27.316 6.074 1.00 32.33 H new ATOM 0 HB2 ALA A 46 -2.030 25.896 5.046 1.00 32.33 H new ATOM 0 HB3 ALA A 46 -0.442 26.699 5.011 1.00 32.33 H new ATOM 727 N LEU A 47 -0.079 29.258 3.634 1.00 71.41 N ATOM 728 CA LEU A 47 0.680 30.533 3.562 1.00 22.01 C ATOM 729 C LEU A 47 0.067 31.486 2.480 1.00 51.14 C ATOM 730 O LEU A 47 -0.040 32.698 2.705 1.00 35.35 O ATOM 731 CB LEU A 47 2.186 30.194 3.274 1.00 15.51 C ATOM 732 CG LEU A 47 3.272 31.334 3.419 1.00 3.00 C ATOM 733 CD1 LEU A 47 3.276 32.326 2.230 1.00 45.21 C ATOM 734 CD2 LEU A 47 3.132 32.066 4.773 1.00 51.44 C ATOM 0 H LEU A 47 0.451 28.451 3.305 1.00 71.41 H new ATOM 0 HA LEU A 47 0.615 31.068 4.510 1.00 22.01 H new ATOM 0 HB2 LEU A 47 2.473 29.380 3.940 1.00 15.51 H new ATOM 0 HB3 LEU A 47 2.247 29.809 2.256 1.00 15.51 H new ATOM 0 HG LEU A 47 4.244 30.841 3.398 1.00 3.00 H new ATOM 0 HD11 LEU A 47 4.043 33.083 2.391 1.00 45.21 H new ATOM 0 HD12 LEU A 47 3.486 31.786 1.307 1.00 45.21 H new ATOM 0 HD13 LEU A 47 2.301 32.808 2.155 1.00 45.21 H new ATOM 0 HD21 LEU A 47 3.891 32.845 4.846 1.00 51.44 H new ATOM 0 HD22 LEU A 47 2.142 32.517 4.842 1.00 51.44 H new ATOM 0 HD23 LEU A 47 3.264 31.353 5.587 1.00 51.44 H new ATOM 746 N GLU A 48 -0.355 30.917 1.328 1.00 32.22 N ATOM 747 CA GLU A 48 -0.925 31.689 0.192 1.00 11.45 C ATOM 748 C GLU A 48 -2.268 32.352 0.570 1.00 23.34 C ATOM 749 O GLU A 48 -2.607 33.427 0.073 1.00 65.13 O ATOM 750 CB GLU A 48 -1.128 30.777 -1.057 1.00 14.11 C ATOM 751 CG GLU A 48 0.142 30.077 -1.594 1.00 52.24 C ATOM 752 CD GLU A 48 1.281 31.040 -1.981 1.00 64.24 C ATOM 753 OE1 GLU A 48 1.214 31.647 -3.074 1.00 22.30 O ATOM 754 OE2 GLU A 48 2.256 31.182 -1.204 1.00 74.51 O ATOM 0 H GLU A 48 -0.312 29.912 1.156 1.00 32.22 H new ATOM 0 HA GLU A 48 -0.208 32.474 -0.050 1.00 11.45 H new ATOM 0 HB2 GLU A 48 -1.864 30.012 -0.809 1.00 14.11 H new ATOM 0 HB3 GLU A 48 -1.554 31.381 -1.859 1.00 14.11 H new ATOM 0 HG2 GLU A 48 0.509 29.385 -0.836 1.00 52.24 H new ATOM 0 HG3 GLU A 48 -0.127 29.482 -2.466 1.00 52.24 H new ATOM 761 N SER A 49 -3.046 31.678 1.427 1.00 50.41 N ATOM 762 CA SER A 49 -4.322 32.216 1.943 1.00 61.41 C ATOM 763 C SER A 49 -4.108 33.141 3.162 1.00 71.43 C ATOM 764 O SER A 49 -4.530 34.299 3.159 1.00 44.32 O ATOM 765 CB SER A 49 -5.295 31.070 2.302 1.00 21.13 C ATOM 766 OG SER A 49 -6.517 31.558 2.843 1.00 71.42 O ATOM 0 H SER A 49 -2.815 30.750 1.783 1.00 50.41 H new ATOM 0 HA SER A 49 -4.763 32.816 1.147 1.00 61.41 H new ATOM 0 HB2 SER A 49 -5.504 30.479 1.410 1.00 21.13 H new ATOM 0 HB3 SER A 49 -4.820 30.404 3.022 1.00 21.13 H new ATOM 0 HG SER A 49 -7.105 30.803 3.055 1.00 71.42 H new ATOM 772 N ALA A 50 -3.443 32.611 4.198 1.00 24.22 N ATOM 773 CA ALA A 50 -3.234 33.319 5.480 1.00 3.32 C ATOM 774 C ALA A 50 -2.445 34.629 5.305 1.00 12.22 C ATOM 775 O ALA A 50 -2.895 35.683 5.720 1.00 20.02 O ATOM 776 CB ALA A 50 -2.517 32.408 6.487 1.00 23.04 C ATOM 0 H ALA A 50 -3.032 31.678 4.176 1.00 24.22 H new ATOM 0 HA ALA A 50 -4.221 33.579 5.862 1.00 3.32 H new ATOM 0 HB1 ALA A 50 -2.372 32.945 7.424 1.00 23.04 H new ATOM 0 HB2 ALA A 50 -3.121 31.519 6.668 1.00 23.04 H new ATOM 0 HB3 ALA A 50 -1.548 32.112 6.084 1.00 23.04 H new ATOM 782 N PHE A 51 -1.279 34.551 4.665 1.00 34.35 N ATOM 783 CA PHE A 51 -0.362 35.708 4.550 1.00 11.02 C ATOM 784 C PHE A 51 -0.583 36.479 3.233 1.00 72.23 C ATOM 785 O PHE A 51 -0.563 37.713 3.215 1.00 3.13 O ATOM 786 CB PHE A 51 1.110 35.235 4.671 1.00 63.24 C ATOM 787 CG PHE A 51 2.141 36.371 4.643 1.00 40.15 C ATOM 788 CD1 PHE A 51 2.280 37.229 5.735 1.00 72.14 C ATOM 789 CD2 PHE A 51 2.946 36.597 3.524 1.00 71.31 C ATOM 790 CE1 PHE A 51 3.197 38.267 5.716 1.00 70.14 C ATOM 791 CE2 PHE A 51 3.860 37.638 3.505 1.00 3.33 C ATOM 792 CZ PHE A 51 3.983 38.473 4.600 1.00 24.42 C ATOM 0 H PHE A 51 -0.938 33.702 4.214 1.00 34.35 H new ATOM 0 HA PHE A 51 -0.580 36.395 5.368 1.00 11.02 H new ATOM 0 HB2 PHE A 51 1.225 34.678 5.601 1.00 63.24 H new ATOM 0 HB3 PHE A 51 1.326 34.544 3.856 1.00 63.24 H new ATOM 0 HD1 PHE A 51 1.663 37.081 6.609 1.00 72.14 H new ATOM 0 HD2 PHE A 51 2.855 35.952 2.663 1.00 71.31 H new ATOM 0 HE1 PHE A 51 3.297 38.915 6.574 1.00 70.14 H new ATOM 0 HE2 PHE A 51 4.477 37.797 2.633 1.00 3.33 H new ATOM 0 HZ PHE A 51 4.694 39.286 4.582 1.00 24.42 H new ATOM 802 N ALA A 52 -0.808 35.739 2.137 1.00 13.42 N ATOM 803 CA ALA A 52 -0.799 36.314 0.764 1.00 52.42 C ATOM 804 C ALA A 52 -2.207 36.634 0.205 1.00 42.13 C ATOM 805 O ALA A 52 -2.323 37.094 -0.938 1.00 12.44 O ATOM 806 CB ALA A 52 -0.031 35.377 -0.184 1.00 20.42 C ATOM 0 H ALA A 52 -1.000 34.738 2.165 1.00 13.42 H new ATOM 0 HA ALA A 52 -0.291 37.276 0.831 1.00 52.42 H new ATOM 0 HB1 ALA A 52 -0.026 35.800 -1.188 1.00 20.42 H new ATOM 0 HB2 ALA A 52 0.995 35.264 0.168 1.00 20.42 H new ATOM 0 HB3 ALA A 52 -0.517 34.401 -0.204 1.00 20.42 H new ATOM 812 N ASP A 53 -3.266 36.406 0.998 1.00 54.23 N ATOM 813 CA ASP A 53 -4.655 36.735 0.589 1.00 24.34 C ATOM 814 C ASP A 53 -5.340 37.640 1.646 1.00 73.34 C ATOM 815 O ASP A 53 -5.955 38.652 1.286 1.00 14.40 O ATOM 816 CB ASP A 53 -5.452 35.430 0.342 1.00 11.44 C ATOM 817 CG ASP A 53 -6.879 35.670 -0.164 1.00 72.45 C ATOM 818 OD1 ASP A 53 -7.047 35.984 -1.361 1.00 11.04 O ATOM 819 OD2 ASP A 53 -7.836 35.570 0.632 1.00 61.21 O ATOM 0 H ASP A 53 -3.194 35.995 1.929 1.00 54.23 H new ATOM 0 HA ASP A 53 -4.631 37.297 -0.344 1.00 24.34 H new ATOM 0 HB2 ASP A 53 -4.916 34.818 -0.384 1.00 11.44 H new ATOM 0 HB3 ASP A 53 -5.495 34.859 1.270 1.00 11.44 H new ATOM 824 N ASP A 54 -5.214 37.284 2.947 1.00 63.20 N ATOM 825 CA ASP A 54 -5.816 38.068 4.064 1.00 13.02 C ATOM 826 C ASP A 54 -5.232 37.655 5.440 1.00 54.41 C ATOM 827 O ASP A 54 -5.508 36.557 5.930 1.00 72.41 O ATOM 828 CB ASP A 54 -7.365 37.918 4.084 1.00 11.30 C ATOM 829 CG ASP A 54 -8.036 38.826 5.133 1.00 73.25 C ATOM 830 OD1 ASP A 54 -8.248 40.025 4.846 1.00 32.34 O ATOM 831 OD2 ASP A 54 -8.325 38.370 6.263 1.00 51.12 O ATOM 0 H ASP A 54 -4.701 36.458 3.254 1.00 63.20 H new ATOM 0 HA ASP A 54 -5.563 39.113 3.886 1.00 13.02 H new ATOM 0 HB2 ASP A 54 -7.762 38.155 3.097 1.00 11.30 H new ATOM 0 HB3 ASP A 54 -7.623 36.879 4.290 1.00 11.30 H new ATOM 836 N GLN A 55 -4.444 38.554 6.062 1.00 12.11 N ATOM 837 CA GLN A 55 -3.863 38.346 7.421 1.00 30.30 C ATOM 838 C GLN A 55 -4.485 39.336 8.464 1.00 42.13 C ATOM 839 O GLN A 55 -3.990 39.466 9.594 1.00 21.24 O ATOM 840 CB GLN A 55 -2.300 38.487 7.320 1.00 54.21 C ATOM 841 CG GLN A 55 -1.487 38.172 8.606 1.00 32.33 C ATOM 842 CD GLN A 55 -1.666 36.747 9.158 1.00 62.51 C ATOM 843 OE1 GLN A 55 -1.642 36.536 10.365 1.00 14.22 O ATOM 844 NE2 GLN A 55 -1.756 35.755 8.301 1.00 13.11 N ATOM 0 H GLN A 55 -4.187 39.448 5.644 1.00 12.11 H new ATOM 0 HA GLN A 55 -4.104 37.346 7.780 1.00 30.30 H new ATOM 0 HB2 GLN A 55 -1.949 37.828 6.526 1.00 54.21 H new ATOM 0 HB3 GLN A 55 -2.069 39.507 7.013 1.00 54.21 H new ATOM 0 HG2 GLN A 55 -0.429 38.334 8.398 1.00 32.33 H new ATOM 0 HG3 GLN A 55 -1.772 38.884 9.381 1.00 32.33 H new ATOM 0 HE21 GLN A 55 -1.775 35.947 7.299 1.00 13.11 H new ATOM 0 HE22 GLN A 55 -1.807 34.793 8.637 1.00 13.11 H new ATOM 853 N THR A 56 -5.603 40.006 8.095 1.00 73.44 N ATOM 854 CA THR A 56 -6.302 40.965 9.006 1.00 15.03 C ATOM 855 C THR A 56 -6.844 40.240 10.259 1.00 40.01 C ATOM 856 O THR A 56 -6.593 40.654 11.396 1.00 1.22 O ATOM 857 CB THR A 56 -7.489 41.728 8.312 1.00 62.51 C ATOM 858 OG1 THR A 56 -8.509 40.804 7.901 1.00 42.45 O ATOM 859 CG2 THR A 56 -7.023 42.542 7.101 1.00 1.20 C ATOM 0 H THR A 56 -6.043 39.906 7.180 1.00 73.44 H new ATOM 0 HA THR A 56 -5.550 41.701 9.288 1.00 15.03 H new ATOM 0 HB THR A 56 -7.894 42.421 9.049 1.00 62.51 H new ATOM 0 HG1 THR A 56 -8.095 40.038 7.452 1.00 42.45 H new ATOM 0 HG21 THR A 56 -7.877 43.051 6.654 1.00 1.20 H new ATOM 0 HG22 THR A 56 -6.287 43.280 7.420 1.00 1.20 H new ATOM 0 HG23 THR A 56 -6.573 41.875 6.366 1.00 1.20 H new ATOM 867 N TYR A 57 -7.589 39.151 10.024 1.00 20.02 N ATOM 868 CA TYR A 57 -8.031 38.228 11.087 1.00 12.53 C ATOM 869 C TYR A 57 -7.010 37.073 11.226 1.00 60.10 C ATOM 870 O TYR A 57 -6.536 36.551 10.209 1.00 64.34 O ATOM 871 CB TYR A 57 -9.447 37.686 10.774 1.00 32.13 C ATOM 872 CG TYR A 57 -10.509 38.790 10.651 1.00 61.15 C ATOM 873 CD1 TYR A 57 -10.960 39.481 11.779 1.00 43.41 C ATOM 874 CD2 TYR A 57 -11.054 39.147 9.415 1.00 61.04 C ATOM 875 CE1 TYR A 57 -11.913 40.476 11.678 1.00 33.20 C ATOM 876 CE2 TYR A 57 -12.004 40.140 9.313 1.00 74.04 C ATOM 877 CZ TYR A 57 -12.430 40.802 10.445 1.00 42.33 C ATOM 878 OH TYR A 57 -13.388 41.789 10.342 1.00 44.43 O ATOM 0 H TYR A 57 -7.904 38.882 9.092 1.00 20.02 H new ATOM 0 HA TYR A 57 -8.082 38.764 12.035 1.00 12.53 H new ATOM 0 HB2 TYR A 57 -9.414 37.119 9.844 1.00 32.13 H new ATOM 0 HB3 TYR A 57 -9.744 36.992 11.560 1.00 32.13 H new ATOM 0 HD1 TYR A 57 -10.555 39.232 12.749 1.00 43.41 H new ATOM 0 HD2 TYR A 57 -10.725 38.635 8.523 1.00 61.04 H new ATOM 0 HE1 TYR A 57 -12.251 40.996 12.563 1.00 33.20 H new ATOM 0 HE2 TYR A 57 -12.414 40.399 8.348 1.00 74.04 H new ATOM 0 HH TYR A 57 -13.647 41.897 9.403 1.00 44.43 H new ATOM 888 N PRO A 58 -6.637 36.660 12.482 1.00 11.35 N ATOM 889 CA PRO A 58 -5.649 35.580 12.698 1.00 45.30 C ATOM 890 C PRO A 58 -6.221 34.173 12.323 1.00 24.03 C ATOM 891 O PRO A 58 -7.372 33.872 12.650 1.00 1.42 O ATOM 892 CB PRO A 58 -5.323 35.702 14.211 1.00 43.11 C ATOM 893 CG PRO A 58 -6.561 36.277 14.825 1.00 13.40 C ATOM 894 CD PRO A 58 -7.144 37.210 13.776 1.00 73.14 C ATOM 0 HA PRO A 58 -4.766 35.677 12.066 1.00 45.30 H new ATOM 0 HB2 PRO A 58 -5.082 34.731 14.643 1.00 43.11 H new ATOM 0 HB3 PRO A 58 -4.462 36.348 14.379 1.00 43.11 H new ATOM 0 HG2 PRO A 58 -7.269 35.491 15.087 1.00 13.40 H new ATOM 0 HG3 PRO A 58 -6.329 36.816 15.743 1.00 13.40 H new ATOM 0 HD2 PRO A 58 -8.234 37.216 13.808 1.00 73.14 H new ATOM 0 HD3 PRO A 58 -6.815 38.238 13.929 1.00 73.14 H new ATOM 902 N PRO A 59 -5.429 33.301 11.614 1.00 43.22 N ATOM 903 CA PRO A 59 -5.867 31.930 11.217 1.00 51.40 C ATOM 904 C PRO A 59 -5.875 30.931 12.413 1.00 12.31 C ATOM 905 O PRO A 59 -6.010 31.326 13.574 1.00 64.12 O ATOM 906 CB PRO A 59 -4.818 31.531 10.119 1.00 74.43 C ATOM 907 CG PRO A 59 -3.997 32.765 9.861 1.00 62.10 C ATOM 908 CD PRO A 59 -4.055 33.575 11.131 1.00 44.11 C ATOM 0 HA PRO A 59 -6.896 31.905 10.858 1.00 51.40 H new ATOM 0 HB2 PRO A 59 -4.189 30.709 10.461 1.00 74.43 H new ATOM 0 HB3 PRO A 59 -5.315 31.196 9.209 1.00 74.43 H new ATOM 0 HG2 PRO A 59 -2.969 32.504 9.611 1.00 62.10 H new ATOM 0 HG3 PRO A 59 -4.396 33.330 9.019 1.00 62.10 H new ATOM 0 HD2 PRO A 59 -3.300 33.259 11.851 1.00 44.11 H new ATOM 0 HD3 PRO A 59 -3.893 34.637 10.945 1.00 44.11 H new ATOM 916 N GLU A 60 -5.736 29.626 12.104 1.00 62.41 N ATOM 917 CA GLU A 60 -5.596 28.561 13.125 1.00 10.14 C ATOM 918 C GLU A 60 -4.212 28.640 13.849 1.00 64.10 C ATOM 919 O GLU A 60 -3.993 27.944 14.844 1.00 42.34 O ATOM 920 CB GLU A 60 -5.756 27.156 12.476 1.00 13.32 C ATOM 921 CG GLU A 60 -7.048 26.912 11.649 1.00 51.41 C ATOM 922 CD GLU A 60 -6.968 27.459 10.208 1.00 12.45 C ATOM 923 OE1 GLU A 60 -6.276 26.845 9.368 1.00 33.21 O ATOM 924 OE2 GLU A 60 -7.562 28.515 9.922 1.00 11.21 O ATOM 0 H GLU A 60 -5.717 29.279 11.145 1.00 62.41 H new ATOM 0 HA GLU A 60 -6.384 28.714 13.862 1.00 10.14 H new ATOM 0 HB2 GLU A 60 -4.898 26.982 11.826 1.00 13.32 H new ATOM 0 HB3 GLU A 60 -5.713 26.408 13.268 1.00 13.32 H new ATOM 0 HG2 GLU A 60 -7.250 25.841 11.612 1.00 51.41 H new ATOM 0 HG3 GLU A 60 -7.891 27.378 12.160 1.00 51.41 H new ATOM 931 N SER A 61 -3.303 29.484 13.298 1.00 4.31 N ATOM 932 CA SER A 61 -1.918 29.712 13.795 1.00 61.53 C ATOM 933 C SER A 61 -1.841 29.941 15.345 1.00 54.04 C ATOM 934 O SER A 61 -2.188 31.043 15.816 1.00 64.32 O ATOM 935 CB SER A 61 -1.309 30.927 13.040 1.00 14.14 C ATOM 936 OG SER A 61 -1.327 30.750 11.629 1.00 25.42 O ATOM 937 OXT SER A 61 -1.418 29.015 16.071 1.00 36.86 O ATOM 0 H SER A 61 -3.518 30.042 12.472 1.00 4.31 H new ATOM 0 HA SER A 61 -1.345 28.806 13.598 1.00 61.53 H new ATOM 0 HB2 SER A 61 -1.865 31.828 13.298 1.00 14.14 H new ATOM 0 HB3 SER A 61 -0.282 31.080 13.372 1.00 14.14 H new ATOM 0 HG SER A 61 -0.937 31.538 11.196 1.00 25.42 H new TER 943 SER A 61