USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=13 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+ -149:sc= 0.294 (180deg=-0.0217) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.116 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 89:sc= 0.405 USER MOD Single : A 42 ASN : amide:sc=-0.00898 X(o=-0.009,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 X(o=0,f=-0.12) USER MOD Single : A 56 THR OG1 : rot 180:sc=-0.00875 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 44:sc= 0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -2.608 -35.334 7.449 1.00 2.20 N ATOM 2 CA PHE A 1 -1.707 -36.429 7.013 1.00 14.12 C ATOM 3 C PHE A 1 -1.676 -36.590 5.470 1.00 32.41 C ATOM 4 O PHE A 1 -0.732 -37.170 4.941 1.00 73.40 O ATOM 5 CB PHE A 1 -2.104 -37.773 7.694 1.00 14.55 C ATOM 6 CG PHE A 1 -3.479 -38.328 7.288 1.00 71.45 C ATOM 7 CD1 PHE A 1 -4.646 -37.896 7.920 1.00 54.02 C ATOM 8 CD2 PHE A 1 -3.600 -39.279 6.265 1.00 2.53 C ATOM 9 CE1 PHE A 1 -5.881 -38.392 7.546 1.00 51.32 C ATOM 10 CE2 PHE A 1 -4.835 -39.773 5.896 1.00 71.41 C ATOM 11 CZ PHE A 1 -5.977 -39.329 6.537 1.00 5.22 C ATOM 0 H1 PHE A 1 -2.242 -34.912 8.327 1.00 2.20 H new ATOM 0 H2 PHE A 1 -2.653 -34.606 6.708 1.00 2.20 H new ATOM 0 H3 PHE A 1 -3.561 -35.715 7.619 1.00 2.20 H new ATOM 0 HA PHE A 1 -0.700 -36.156 7.328 1.00 14.12 H new ATOM 0 HB2 PHE A 1 -1.345 -38.519 7.460 1.00 14.55 H new ATOM 0 HB3 PHE A 1 -2.091 -37.633 8.775 1.00 14.55 H new ATOM 0 HD1 PHE A 1 -4.583 -37.164 8.712 1.00 54.02 H new ATOM 0 HD2 PHE A 1 -2.714 -39.630 5.758 1.00 2.53 H new ATOM 0 HE1 PHE A 1 -6.774 -38.045 8.045 1.00 51.32 H new ATOM 0 HE2 PHE A 1 -4.909 -40.506 5.107 1.00 71.41 H new ATOM 0 HZ PHE A 1 -6.943 -39.715 6.248 1.00 5.22 H new ATOM 23 N THR A 2 -2.705 -36.084 4.745 1.00 22.03 N ATOM 24 CA THR A 2 -2.798 -36.267 3.267 1.00 51.12 C ATOM 25 C THR A 2 -2.107 -35.125 2.505 1.00 11.11 C ATOM 26 O THR A 2 -2.140 -33.962 2.926 1.00 31.44 O ATOM 27 CB THR A 2 -4.283 -36.411 2.772 1.00 55.42 C ATOM 28 OG1 THR A 2 -4.322 -36.552 1.337 1.00 21.11 O ATOM 29 CG2 THR A 2 -5.170 -35.229 3.182 1.00 73.51 C ATOM 0 H THR A 2 -3.475 -35.552 5.150 1.00 22.03 H new ATOM 0 HA THR A 2 -2.277 -37.199 3.050 1.00 51.12 H new ATOM 0 HB THR A 2 -4.680 -37.305 3.254 1.00 55.42 H new ATOM 0 HG1 THR A 2 -5.252 -36.642 1.042 1.00 21.11 H new ATOM 0 HG21 THR A 2 -6.182 -35.388 2.811 1.00 73.51 H new ATOM 0 HG22 THR A 2 -5.190 -35.149 4.269 1.00 73.51 H new ATOM 0 HG23 THR A 2 -4.768 -34.309 2.758 1.00 73.51 H new ATOM 37 N LEU A 3 -1.481 -35.477 1.364 1.00 60.31 N ATOM 38 CA LEU A 3 -0.859 -34.496 0.444 1.00 20.02 C ATOM 39 C LEU A 3 -1.910 -33.509 -0.112 1.00 42.33 C ATOM 40 O LEU A 3 -1.561 -32.409 -0.505 1.00 22.32 O ATOM 41 CB LEU A 3 -0.107 -35.216 -0.726 1.00 72.30 C ATOM 42 CG LEU A 3 1.318 -35.795 -0.405 1.00 55.04 C ATOM 43 CD1 LEU A 3 2.295 -34.676 0.014 1.00 13.13 C ATOM 44 CD2 LEU A 3 1.266 -36.915 0.655 1.00 41.13 C ATOM 0 H LEU A 3 -1.391 -36.444 1.053 1.00 60.31 H new ATOM 0 HA LEU A 3 -0.128 -33.926 1.017 1.00 20.02 H new ATOM 0 HB2 LEU A 3 -0.734 -36.035 -1.079 1.00 72.30 H new ATOM 0 HB3 LEU A 3 -0.009 -34.511 -1.551 1.00 72.30 H new ATOM 0 HG LEU A 3 1.693 -36.243 -1.325 1.00 55.04 H new ATOM 0 HD11 LEU A 3 3.272 -35.108 0.230 1.00 13.13 H new ATOM 0 HD12 LEU A 3 2.389 -33.953 -0.796 1.00 13.13 H new ATOM 0 HD13 LEU A 3 1.915 -34.176 0.905 1.00 13.13 H new ATOM 0 HD21 LEU A 3 2.274 -37.284 0.844 1.00 41.13 H new ATOM 0 HD22 LEU A 3 0.844 -36.521 1.580 1.00 41.13 H new ATOM 0 HD23 LEU A 3 0.643 -37.732 0.291 1.00 41.13 H new ATOM 56 N ILE A 4 -3.194 -33.921 -0.104 1.00 23.32 N ATOM 57 CA ILE A 4 -4.333 -33.074 -0.549 1.00 43.15 C ATOM 58 C ILE A 4 -4.453 -31.817 0.343 1.00 54.54 C ATOM 59 O ILE A 4 -4.588 -30.711 -0.176 1.00 51.51 O ATOM 60 CB ILE A 4 -5.688 -33.915 -0.586 1.00 33.55 C ATOM 61 CG1 ILE A 4 -5.811 -34.743 -1.914 1.00 34.11 C ATOM 62 CG2 ILE A 4 -6.950 -33.040 -0.393 1.00 12.11 C ATOM 63 CD1 ILE A 4 -4.615 -35.615 -2.253 1.00 1.11 C ATOM 0 H ILE A 4 -3.477 -34.849 0.210 1.00 23.32 H new ATOM 0 HA ILE A 4 -4.140 -32.736 -1.567 1.00 43.15 H new ATOM 0 HB ILE A 4 -5.634 -34.600 0.260 1.00 33.55 H new ATOM 0 HG12 ILE A 4 -6.694 -35.378 -1.845 1.00 34.11 H new ATOM 0 HG13 ILE A 4 -5.980 -34.051 -2.739 1.00 34.11 H new ATOM 0 HG21 ILE A 4 -7.839 -33.670 -0.428 1.00 12.11 H new ATOM 0 HG22 ILE A 4 -6.900 -32.537 0.573 1.00 12.11 H new ATOM 0 HG23 ILE A 4 -7.002 -32.296 -1.188 1.00 12.11 H new ATOM 0 HD11 ILE A 4 -4.803 -36.143 -3.188 1.00 1.11 H new ATOM 0 HD12 ILE A 4 -3.728 -34.990 -2.361 1.00 1.11 H new ATOM 0 HD13 ILE A 4 -4.454 -36.338 -1.454 1.00 1.11 H new ATOM 75 N GLU A 5 -4.364 -32.001 1.684 1.00 52.04 N ATOM 76 CA GLU A 5 -4.350 -30.879 2.655 1.00 31.05 C ATOM 77 C GLU A 5 -3.213 -29.885 2.350 1.00 12.30 C ATOM 78 O GLU A 5 -3.438 -28.679 2.282 1.00 74.14 O ATOM 79 CB GLU A 5 -4.239 -31.402 4.124 1.00 5.03 C ATOM 80 CG GLU A 5 -5.543 -31.990 4.703 1.00 2.34 C ATOM 81 CD GLU A 5 -6.660 -30.942 4.869 1.00 24.04 C ATOM 82 OE1 GLU A 5 -7.450 -30.734 3.920 1.00 32.12 O ATOM 83 OE2 GLU A 5 -6.744 -30.307 5.944 1.00 3.52 O ATOM 0 H GLU A 5 -4.301 -32.921 2.119 1.00 52.04 H new ATOM 0 HA GLU A 5 -5.298 -30.351 2.551 1.00 31.05 H new ATOM 0 HB2 GLU A 5 -3.463 -32.166 4.165 1.00 5.03 H new ATOM 0 HB3 GLU A 5 -3.912 -30.582 4.763 1.00 5.03 H new ATOM 0 HG2 GLU A 5 -5.896 -32.787 4.049 1.00 2.34 H new ATOM 0 HG3 GLU A 5 -5.331 -32.442 5.672 1.00 2.34 H new ATOM 90 N LEU A 6 -2.005 -30.426 2.121 1.00 42.14 N ATOM 91 CA LEU A 6 -0.799 -29.627 1.818 1.00 52.53 C ATOM 92 C LEU A 6 -0.935 -28.859 0.485 1.00 75.43 C ATOM 93 O LEU A 6 -0.562 -27.694 0.404 1.00 25.22 O ATOM 94 CB LEU A 6 0.442 -30.555 1.798 1.00 45.22 C ATOM 95 CG LEU A 6 0.705 -31.341 3.124 1.00 51.02 C ATOM 96 CD1 LEU A 6 1.907 -32.301 2.990 1.00 72.12 C ATOM 97 CD2 LEU A 6 0.895 -30.376 4.322 1.00 60.32 C ATOM 0 H LEU A 6 -1.834 -31.431 2.140 1.00 42.14 H new ATOM 0 HA LEU A 6 -0.679 -28.878 2.601 1.00 52.53 H new ATOM 0 HB2 LEU A 6 0.327 -31.272 0.986 1.00 45.22 H new ATOM 0 HB3 LEU A 6 1.322 -29.954 1.570 1.00 45.22 H new ATOM 0 HG LEU A 6 -0.179 -31.948 3.319 1.00 51.02 H new ATOM 0 HD11 LEU A 6 2.058 -32.829 3.932 1.00 72.12 H new ATOM 0 HD12 LEU A 6 1.710 -33.023 2.197 1.00 72.12 H new ATOM 0 HD13 LEU A 6 2.803 -31.730 2.746 1.00 72.12 H new ATOM 0 HD21 LEU A 6 1.076 -30.953 5.229 1.00 60.32 H new ATOM 0 HD22 LEU A 6 1.747 -29.723 4.132 1.00 60.32 H new ATOM 0 HD23 LEU A 6 -0.004 -29.773 4.449 1.00 60.32 H new ATOM 109 N LEU A 7 -1.495 -29.525 -0.537 1.00 51.52 N ATOM 110 CA LEU A 7 -1.742 -28.915 -1.863 1.00 60.44 C ATOM 111 C LEU A 7 -2.717 -27.722 -1.773 1.00 4.22 C ATOM 112 O LEU A 7 -2.465 -26.677 -2.378 1.00 50.11 O ATOM 113 CB LEU A 7 -2.284 -29.970 -2.868 1.00 73.21 C ATOM 114 CG LEU A 7 -1.275 -31.077 -3.317 1.00 40.24 C ATOM 115 CD1 LEU A 7 -1.966 -32.150 -4.188 1.00 65.11 C ATOM 116 CD2 LEU A 7 -0.055 -30.469 -4.049 1.00 13.31 C ATOM 0 H LEU A 7 -1.790 -30.499 -0.473 1.00 51.52 H new ATOM 0 HA LEU A 7 -0.784 -28.541 -2.225 1.00 60.44 H new ATOM 0 HB2 LEU A 7 -3.150 -30.457 -2.420 1.00 73.21 H new ATOM 0 HB3 LEU A 7 -2.637 -29.447 -3.757 1.00 73.21 H new ATOM 0 HG LEU A 7 -0.909 -31.566 -2.414 1.00 40.24 H new ATOM 0 HD11 LEU A 7 -1.237 -32.904 -4.483 1.00 65.11 H new ATOM 0 HD12 LEU A 7 -2.766 -32.622 -3.617 1.00 65.11 H new ATOM 0 HD13 LEU A 7 -2.384 -31.681 -5.079 1.00 65.11 H new ATOM 0 HD21 LEU A 7 0.625 -31.267 -4.347 1.00 13.31 H new ATOM 0 HD22 LEU A 7 -0.393 -29.931 -4.935 1.00 13.31 H new ATOM 0 HD23 LEU A 7 0.463 -29.780 -3.382 1.00 13.31 H new ATOM 128 N ILE A 8 -3.829 -27.896 -1.022 1.00 43.11 N ATOM 129 CA ILE A 8 -4.819 -26.835 -0.787 1.00 11.12 C ATOM 130 C ILE A 8 -4.224 -25.643 -0.003 1.00 43.33 C ATOM 131 O ILE A 8 -4.408 -24.498 -0.405 1.00 52.22 O ATOM 132 CB ILE A 8 -6.058 -27.419 -0.016 1.00 53.41 C ATOM 133 CG1 ILE A 8 -6.762 -28.548 -0.838 1.00 12.51 C ATOM 134 CG2 ILE A 8 -7.068 -26.313 0.355 1.00 61.34 C ATOM 135 CD1 ILE A 8 -7.783 -29.348 -0.046 1.00 63.21 C ATOM 0 H ILE A 8 -4.059 -28.778 -0.565 1.00 43.11 H new ATOM 0 HA ILE A 8 -5.133 -26.460 -1.761 1.00 11.12 H new ATOM 0 HB ILE A 8 -5.681 -27.856 0.909 1.00 53.41 H new ATOM 0 HG12 ILE A 8 -7.257 -28.100 -1.700 1.00 12.51 H new ATOM 0 HG13 ILE A 8 -6.003 -29.229 -1.224 1.00 12.51 H new ATOM 0 HG21 ILE A 8 -7.911 -26.754 0.887 1.00 61.34 H new ATOM 0 HG22 ILE A 8 -6.582 -25.576 0.994 1.00 61.34 H new ATOM 0 HG23 ILE A 8 -7.426 -25.827 -0.553 1.00 61.34 H new ATOM 0 HD11 ILE A 8 -8.225 -30.110 -0.688 1.00 63.21 H new ATOM 0 HD12 ILE A 8 -7.292 -29.827 0.801 1.00 63.21 H new ATOM 0 HD13 ILE A 8 -8.565 -28.681 0.317 1.00 63.21 H new ATOM 147 N VAL A 9 -3.510 -25.928 1.103 1.00 42.04 N ATOM 148 CA VAL A 9 -2.902 -24.898 1.963 1.00 61.33 C ATOM 149 C VAL A 9 -1.852 -24.066 1.190 1.00 14.54 C ATOM 150 O VAL A 9 -1.851 -22.834 1.266 1.00 71.25 O ATOM 151 CB VAL A 9 -2.280 -25.579 3.243 1.00 42.44 C ATOM 152 CG1 VAL A 9 -1.390 -24.618 4.047 1.00 11.05 C ATOM 153 CG2 VAL A 9 -3.399 -26.160 4.142 1.00 64.14 C ATOM 0 H VAL A 9 -3.339 -26.881 1.425 1.00 42.04 H new ATOM 0 HA VAL A 9 -3.677 -24.202 2.283 1.00 61.33 H new ATOM 0 HB VAL A 9 -1.640 -26.390 2.895 1.00 42.44 H new ATOM 0 HG11 VAL A 9 -0.987 -25.137 4.917 1.00 11.05 H new ATOM 0 HG12 VAL A 9 -0.569 -24.271 3.419 1.00 11.05 H new ATOM 0 HG13 VAL A 9 -1.981 -23.763 4.376 1.00 11.05 H new ATOM 0 HG21 VAL A 9 -2.954 -26.626 5.021 1.00 64.14 H new ATOM 0 HG22 VAL A 9 -4.067 -25.358 4.456 1.00 64.14 H new ATOM 0 HG23 VAL A 9 -3.965 -26.905 3.583 1.00 64.14 H new ATOM 163 N VAL A 10 -0.995 -24.743 0.415 1.00 42.13 N ATOM 164 CA VAL A 10 0.006 -24.086 -0.436 1.00 54.12 C ATOM 165 C VAL A 10 -0.666 -23.306 -1.602 1.00 51.13 C ATOM 166 O VAL A 10 -0.159 -22.255 -2.016 1.00 52.42 O ATOM 167 CB VAL A 10 1.037 -25.164 -0.950 1.00 22.32 C ATOM 168 CG1 VAL A 10 1.918 -24.651 -2.098 1.00 23.04 C ATOM 169 CG2 VAL A 10 1.915 -25.676 0.221 1.00 52.41 C ATOM 0 H VAL A 10 -0.976 -25.761 0.360 1.00 42.13 H new ATOM 0 HA VAL A 10 0.549 -23.344 0.149 1.00 54.12 H new ATOM 0 HB VAL A 10 0.451 -25.991 -1.351 1.00 22.32 H new ATOM 0 HG11 VAL A 10 2.606 -25.437 -2.408 1.00 23.04 H new ATOM 0 HG12 VAL A 10 1.288 -24.367 -2.941 1.00 23.04 H new ATOM 0 HG13 VAL A 10 2.486 -23.784 -1.761 1.00 23.04 H new ATOM 0 HG21 VAL A 10 2.621 -26.419 -0.151 1.00 52.41 H new ATOM 0 HG22 VAL A 10 2.463 -24.841 0.657 1.00 52.41 H new ATOM 0 HG23 VAL A 10 1.279 -26.129 0.982 1.00 52.41 H new ATOM 179 N ALA A 11 -1.829 -23.799 -2.097 1.00 31.10 N ATOM 180 CA ALA A 11 -2.585 -23.120 -3.174 1.00 62.53 C ATOM 181 C ALA A 11 -3.193 -21.785 -2.678 1.00 0.21 C ATOM 182 O ALA A 11 -2.868 -20.717 -3.210 1.00 44.24 O ATOM 183 CB ALA A 11 -3.683 -24.046 -3.735 1.00 50.45 C ATOM 0 H ALA A 11 -2.261 -24.662 -1.767 1.00 31.10 H new ATOM 0 HA ALA A 11 -1.886 -22.888 -3.978 1.00 62.53 H new ATOM 0 HB1 ALA A 11 -4.227 -23.528 -4.525 1.00 50.45 H new ATOM 0 HB2 ALA A 11 -3.226 -24.948 -4.141 1.00 50.45 H new ATOM 0 HB3 ALA A 11 -4.374 -24.317 -2.936 1.00 50.45 H new ATOM 189 N ILE A 12 -4.045 -21.864 -1.628 1.00 30.04 N ATOM 190 CA ILE A 12 -4.771 -20.702 -1.080 1.00 41.12 C ATOM 191 C ILE A 12 -3.802 -19.609 -0.562 1.00 42.22 C ATOM 192 O ILE A 12 -3.925 -18.448 -0.959 1.00 43.33 O ATOM 193 CB ILE A 12 -5.804 -21.131 0.040 1.00 10.11 C ATOM 194 CG1 ILE A 12 -5.104 -21.856 1.241 1.00 11.32 C ATOM 195 CG2 ILE A 12 -6.925 -22.016 -0.569 1.00 12.12 C ATOM 196 CD1 ILE A 12 -6.033 -22.363 2.331 1.00 12.54 C ATOM 0 H ILE A 12 -4.246 -22.737 -1.140 1.00 30.04 H new ATOM 0 HA ILE A 12 -5.341 -20.269 -1.902 1.00 41.12 H new ATOM 0 HB ILE A 12 -6.254 -20.222 0.439 1.00 10.11 H new ATOM 0 HG12 ILE A 12 -4.535 -22.700 0.851 1.00 11.32 H new ATOM 0 HG13 ILE A 12 -4.387 -21.168 1.690 1.00 11.32 H new ATOM 0 HG21 ILE A 12 -7.627 -22.303 0.213 1.00 12.12 H new ATOM 0 HG22 ILE A 12 -7.451 -21.456 -1.342 1.00 12.12 H new ATOM 0 HG23 ILE A 12 -6.484 -22.911 -1.007 1.00 12.12 H new ATOM 0 HD11 ILE A 12 -5.447 -22.847 3.112 1.00 12.54 H new ATOM 0 HD12 ILE A 12 -6.585 -21.525 2.758 1.00 12.54 H new ATOM 0 HD13 ILE A 12 -6.735 -23.081 1.906 1.00 12.54 H new ATOM 208 N ILE A 13 -2.800 -20.004 0.261 1.00 34.11 N ATOM 209 CA ILE A 13 -1.787 -19.083 0.817 1.00 73.21 C ATOM 210 C ILE A 13 -0.853 -18.560 -0.300 1.00 63.43 C ATOM 211 O ILE A 13 -0.357 -17.427 -0.228 1.00 53.45 O ATOM 212 CB ILE A 13 -0.965 -19.811 1.953 1.00 24.13 C ATOM 213 CG1 ILE A 13 -1.895 -20.169 3.159 1.00 40.14 C ATOM 214 CG2 ILE A 13 0.250 -18.985 2.425 1.00 52.43 C ATOM 215 CD1 ILE A 13 -1.211 -20.910 4.298 1.00 12.22 C ATOM 0 H ILE A 13 -2.674 -20.972 0.556 1.00 34.11 H new ATOM 0 HA ILE A 13 -2.293 -18.222 1.255 1.00 73.21 H new ATOM 0 HB ILE A 13 -0.572 -20.732 1.523 1.00 24.13 H new ATOM 0 HG12 ILE A 13 -2.327 -19.248 3.552 1.00 40.14 H new ATOM 0 HG13 ILE A 13 -2.721 -20.778 2.793 1.00 40.14 H new ATOM 0 HG21 ILE A 13 0.780 -19.531 3.206 1.00 52.43 H new ATOM 0 HG22 ILE A 13 0.921 -18.812 1.584 1.00 52.43 H new ATOM 0 HG23 ILE A 13 -0.092 -18.028 2.819 1.00 52.43 H new ATOM 0 HD11 ILE A 13 -1.936 -21.114 5.086 1.00 12.22 H new ATOM 0 HD12 ILE A 13 -0.804 -21.851 3.927 1.00 12.22 H new ATOM 0 HD13 ILE A 13 -0.403 -20.297 4.698 1.00 12.22 H new ATOM 227 N GLY A 14 -0.646 -19.399 -1.338 1.00 42.54 N ATOM 228 CA GLY A 14 0.128 -19.017 -2.521 1.00 22.23 C ATOM 229 C GLY A 14 -0.480 -17.826 -3.276 1.00 41.34 C ATOM 230 O GLY A 14 0.255 -16.974 -3.791 1.00 5.12 O ATOM 0 H GLY A 14 -1.011 -20.351 -1.372 1.00 42.54 H new ATOM 0 HA2 GLY A 14 1.145 -18.767 -2.218 1.00 22.23 H new ATOM 0 HA3 GLY A 14 0.197 -19.871 -3.195 1.00 22.23 H new ATOM 234 N ILE A 15 -1.832 -17.763 -3.323 1.00 4.05 N ATOM 235 CA ILE A 15 -2.568 -16.645 -3.936 1.00 1.24 C ATOM 236 C ILE A 15 -2.537 -15.421 -3.009 1.00 33.41 C ATOM 237 O ILE A 15 -2.246 -14.314 -3.464 1.00 34.13 O ATOM 238 CB ILE A 15 -4.054 -17.080 -4.224 1.00 24.41 C ATOM 239 CG1 ILE A 15 -4.083 -18.347 -5.155 1.00 62.52 C ATOM 240 CG2 ILE A 15 -4.891 -15.919 -4.832 1.00 35.33 C ATOM 241 CD1 ILE A 15 -5.281 -19.249 -4.944 1.00 1.22 C ATOM 0 H ILE A 15 -2.437 -18.487 -2.936 1.00 4.05 H new ATOM 0 HA ILE A 15 -2.091 -16.376 -4.879 1.00 1.24 H new ATOM 0 HB ILE A 15 -4.515 -17.339 -3.271 1.00 24.41 H new ATOM 0 HG12 ILE A 15 -4.068 -18.020 -6.195 1.00 62.52 H new ATOM 0 HG13 ILE A 15 -3.174 -18.925 -4.990 1.00 62.52 H new ATOM 0 HG21 ILE A 15 -5.909 -16.262 -5.015 1.00 35.33 H new ATOM 0 HG22 ILE A 15 -4.910 -15.081 -4.136 1.00 35.33 H new ATOM 0 HG23 ILE A 15 -4.441 -15.600 -5.772 1.00 35.33 H new ATOM 0 HD11 ILE A 15 -5.222 -20.098 -5.626 1.00 1.22 H new ATOM 0 HD12 ILE A 15 -5.288 -19.610 -3.915 1.00 1.22 H new ATOM 0 HD13 ILE A 15 -6.196 -18.690 -5.139 1.00 1.22 H new ATOM 253 N LEU A 16 -2.804 -15.658 -1.701 1.00 54.33 N ATOM 254 CA LEU A 16 -2.844 -14.595 -0.665 1.00 44.02 C ATOM 255 C LEU A 16 -1.534 -13.788 -0.634 1.00 70.41 C ATOM 256 O LEU A 16 -1.560 -12.571 -0.569 1.00 33.52 O ATOM 257 CB LEU A 16 -3.104 -15.184 0.756 1.00 4.31 C ATOM 258 CG LEU A 16 -4.386 -16.058 0.943 1.00 21.24 C ATOM 259 CD1 LEU A 16 -4.636 -16.405 2.431 1.00 24.34 C ATOM 260 CD2 LEU A 16 -5.624 -15.413 0.287 1.00 11.23 C ATOM 0 H LEU A 16 -2.997 -16.590 -1.335 1.00 54.33 H new ATOM 0 HA LEU A 16 -3.669 -13.935 -0.935 1.00 44.02 H new ATOM 0 HB2 LEU A 16 -2.240 -15.787 1.035 1.00 4.31 H new ATOM 0 HB3 LEU A 16 -3.155 -14.355 1.461 1.00 4.31 H new ATOM 0 HG LEU A 16 -4.206 -16.999 0.423 1.00 21.24 H new ATOM 0 HD11 LEU A 16 -5.536 -17.013 2.516 1.00 24.34 H new ATOM 0 HD12 LEU A 16 -3.784 -16.961 2.823 1.00 24.34 H new ATOM 0 HD13 LEU A 16 -4.764 -15.486 3.003 1.00 24.34 H new ATOM 0 HD21 LEU A 16 -6.492 -16.053 0.441 1.00 11.23 H new ATOM 0 HD22 LEU A 16 -5.808 -14.438 0.738 1.00 11.23 H new ATOM 0 HD23 LEU A 16 -5.448 -15.291 -0.782 1.00 11.23 H new ATOM 272 N ALA A 17 -0.400 -14.500 -0.720 1.00 12.03 N ATOM 273 CA ALA A 17 0.942 -13.888 -0.659 1.00 13.21 C ATOM 274 C ALA A 17 1.290 -13.168 -1.976 1.00 61.11 C ATOM 275 O ALA A 17 1.681 -11.998 -1.973 1.00 60.02 O ATOM 276 CB ALA A 17 1.990 -14.959 -0.332 1.00 35.52 C ATOM 0 H ALA A 17 -0.384 -15.514 -0.834 1.00 12.03 H new ATOM 0 HA ALA A 17 0.942 -13.139 0.133 1.00 13.21 H new ATOM 0 HB1 ALA A 17 2.978 -14.500 -0.289 1.00 35.52 H new ATOM 0 HB2 ALA A 17 1.758 -15.413 0.632 1.00 35.52 H new ATOM 0 HB3 ALA A 17 1.980 -15.726 -1.106 1.00 35.52 H new ATOM 282 N ALA A 18 1.101 -13.877 -3.101 1.00 43.31 N ATOM 283 CA ALA A 18 1.419 -13.368 -4.456 1.00 54.42 C ATOM 284 C ALA A 18 0.717 -12.026 -4.776 1.00 74.11 C ATOM 285 O ALA A 18 1.248 -11.214 -5.540 1.00 32.01 O ATOM 286 CB ALA A 18 1.072 -14.427 -5.516 1.00 61.11 C ATOM 0 H ALA A 18 0.722 -14.824 -3.102 1.00 43.31 H new ATOM 0 HA ALA A 18 2.491 -13.170 -4.478 1.00 54.42 H new ATOM 0 HB1 ALA A 18 1.310 -14.041 -6.507 1.00 61.11 H new ATOM 0 HB2 ALA A 18 1.651 -15.331 -5.330 1.00 61.11 H new ATOM 0 HB3 ALA A 18 0.008 -14.660 -5.463 1.00 61.11 H new ATOM 292 N ILE A 19 -0.476 -11.801 -4.187 1.00 22.20 N ATOM 293 CA ILE A 19 -1.176 -10.504 -4.304 1.00 12.23 C ATOM 294 C ILE A 19 -0.767 -9.519 -3.188 1.00 13.34 C ATOM 295 O ILE A 19 -0.610 -8.333 -3.451 1.00 22.21 O ATOM 296 CB ILE A 19 -2.741 -10.675 -4.406 1.00 71.23 C ATOM 297 CG1 ILE A 19 -3.381 -11.396 -3.167 1.00 51.24 C ATOM 298 CG2 ILE A 19 -3.113 -11.404 -5.721 1.00 54.21 C ATOM 299 CD1 ILE A 19 -3.752 -10.469 -2.025 1.00 51.14 C ATOM 0 H ILE A 19 -0.972 -12.496 -3.629 1.00 22.20 H new ATOM 0 HA ILE A 19 -0.852 -10.060 -5.245 1.00 12.23 H new ATOM 0 HB ILE A 19 -3.162 -9.670 -4.412 1.00 71.23 H new ATOM 0 HG12 ILE A 19 -4.275 -11.927 -3.493 1.00 51.24 H new ATOM 0 HG13 ILE A 19 -2.682 -12.146 -2.797 1.00 51.24 H new ATOM 0 HG21 ILE A 19 -4.196 -11.517 -5.781 1.00 54.21 H new ATOM 0 HG22 ILE A 19 -2.761 -10.821 -6.572 1.00 54.21 H new ATOM 0 HG23 ILE A 19 -2.644 -12.388 -5.737 1.00 54.21 H new ATOM 0 HD11 ILE A 19 -4.187 -11.050 -1.212 1.00 51.14 H new ATOM 0 HD12 ILE A 19 -2.859 -9.956 -1.668 1.00 51.14 H new ATOM 0 HD13 ILE A 19 -4.477 -9.734 -2.374 1.00 51.14 H new ATOM 311 N ALA A 20 -0.555 -10.029 -1.963 1.00 4.33 N ATOM 312 CA ALA A 20 -0.346 -9.185 -0.757 1.00 54.33 C ATOM 313 C ALA A 20 0.945 -8.376 -0.811 1.00 62.33 C ATOM 314 O ALA A 20 0.906 -7.166 -0.632 1.00 64.24 O ATOM 315 CB ALA A 20 -0.364 -10.034 0.516 1.00 23.41 C ATOM 0 H ALA A 20 -0.522 -11.031 -1.773 1.00 4.33 H new ATOM 0 HA ALA A 20 -1.176 -8.478 -0.739 1.00 54.33 H new ATOM 0 HB1 ALA A 20 -0.209 -9.392 1.383 1.00 23.41 H new ATOM 0 HB2 ALA A 20 -1.327 -10.537 0.604 1.00 23.41 H new ATOM 0 HB3 ALA A 20 0.431 -10.778 0.468 1.00 23.41 H new ATOM 321 N ILE A 21 2.076 -9.058 -1.056 1.00 64.24 N ATOM 322 CA ILE A 21 3.415 -8.428 -1.026 1.00 5.44 C ATOM 323 C ILE A 21 3.512 -7.182 -1.969 1.00 52.22 C ATOM 324 O ILE A 21 3.831 -6.099 -1.483 1.00 53.10 O ATOM 325 CB ILE A 21 4.585 -9.473 -1.295 1.00 20.24 C ATOM 326 CG1 ILE A 21 4.823 -10.412 -0.057 1.00 22.33 C ATOM 327 CG2 ILE A 21 5.900 -8.768 -1.703 1.00 72.30 C ATOM 328 CD1 ILE A 21 3.754 -11.455 0.203 1.00 53.14 C ATOM 0 H ILE A 21 2.093 -10.053 -1.279 1.00 64.24 H new ATOM 0 HA ILE A 21 3.553 -8.060 -0.009 1.00 5.44 H new ATOM 0 HB ILE A 21 4.264 -10.094 -2.131 1.00 20.24 H new ATOM 0 HG12 ILE A 21 5.776 -10.924 -0.192 1.00 22.33 H new ATOM 0 HG13 ILE A 21 4.919 -9.790 0.833 1.00 22.33 H new ATOM 0 HG21 ILE A 21 6.674 -9.515 -1.878 1.00 72.30 H new ATOM 0 HG22 ILE A 21 5.737 -8.194 -2.615 1.00 72.30 H new ATOM 0 HG23 ILE A 21 6.217 -8.098 -0.904 1.00 72.30 H new ATOM 0 HD11 ILE A 21 4.025 -12.043 1.080 1.00 53.14 H new ATOM 0 HD12 ILE A 21 2.798 -10.961 0.378 1.00 53.14 H new ATOM 0 HD13 ILE A 21 3.669 -12.112 -0.662 1.00 53.14 H new ATOM 340 N PRO A 22 3.220 -7.286 -3.314 1.00 52.32 N ATOM 341 CA PRO A 22 3.257 -6.096 -4.217 1.00 70.24 C ATOM 342 C PRO A 22 2.183 -5.030 -3.879 1.00 61.45 C ATOM 343 O PRO A 22 2.460 -3.829 -3.920 1.00 34.04 O ATOM 344 CB PRO A 22 2.982 -6.688 -5.614 1.00 33.33 C ATOM 345 CG PRO A 22 2.266 -7.979 -5.348 1.00 43.01 C ATOM 346 CD PRO A 22 2.860 -8.520 -4.074 1.00 20.42 C ATOM 0 HA PRO A 22 4.209 -5.572 -4.128 1.00 70.24 H new ATOM 0 HB2 PRO A 22 2.373 -6.014 -6.216 1.00 33.33 H new ATOM 0 HB3 PRO A 22 3.909 -6.855 -6.162 1.00 33.33 H new ATOM 0 HG2 PRO A 22 1.193 -7.817 -5.242 1.00 43.01 H new ATOM 0 HG3 PRO A 22 2.403 -8.679 -6.172 1.00 43.01 H new ATOM 0 HD2 PRO A 22 2.146 -9.136 -3.527 1.00 20.42 H new ATOM 0 HD3 PRO A 22 3.734 -9.142 -4.269 1.00 20.42 H new ATOM 354 N GLN A 23 0.967 -5.498 -3.556 1.00 53.43 N ATOM 355 CA GLN A 23 -0.203 -4.619 -3.285 1.00 43.24 C ATOM 356 C GLN A 23 0.038 -3.742 -2.038 1.00 4.22 C ATOM 357 O GLN A 23 -0.340 -2.569 -2.000 1.00 63.35 O ATOM 358 CB GLN A 23 -1.474 -5.487 -3.080 1.00 34.21 C ATOM 359 CG GLN A 23 -2.773 -4.706 -2.805 1.00 22.14 C ATOM 360 CD GLN A 23 -3.980 -5.622 -2.558 1.00 15.20 C ATOM 361 OE1 GLN A 23 -4.706 -5.984 -3.479 1.00 61.24 O ATOM 362 NE2 GLN A 23 -4.209 -5.999 -1.312 1.00 71.04 N ATOM 0 H GLN A 23 0.758 -6.493 -3.473 1.00 53.43 H new ATOM 0 HA GLN A 23 -0.343 -3.961 -4.143 1.00 43.24 H new ATOM 0 HB2 GLN A 23 -1.621 -6.101 -3.969 1.00 34.21 H new ATOM 0 HB3 GLN A 23 -1.297 -6.168 -2.248 1.00 34.21 H new ATOM 0 HG2 GLN A 23 -2.628 -4.063 -1.937 1.00 22.14 H new ATOM 0 HG3 GLN A 23 -2.985 -4.054 -3.652 1.00 22.14 H new ATOM 0 HE21 GLN A 23 -3.592 -5.686 -0.563 1.00 71.04 H new ATOM 0 HE22 GLN A 23 -5.003 -6.603 -1.100 1.00 71.04 H new ATOM 371 N PHE A 24 0.717 -4.339 -1.055 1.00 44.53 N ATOM 372 CA PHE A 24 0.963 -3.719 0.272 1.00 1.34 C ATOM 373 C PHE A 24 2.253 -2.881 0.259 1.00 14.31 C ATOM 374 O PHE A 24 2.325 -1.834 0.903 1.00 44.24 O ATOM 375 CB PHE A 24 1.030 -4.812 1.366 1.00 43.23 C ATOM 376 CG PHE A 24 1.110 -4.298 2.810 1.00 20.32 C ATOM 377 CD1 PHE A 24 0.103 -3.475 3.328 1.00 31.04 C ATOM 378 CD2 PHE A 24 2.172 -4.640 3.652 1.00 1.13 C ATOM 379 CE1 PHE A 24 0.157 -3.018 4.634 1.00 11.10 C ATOM 380 CE2 PHE A 24 2.222 -4.181 4.957 1.00 41.15 C ATOM 381 CZ PHE A 24 1.217 -3.368 5.447 1.00 55.44 C ATOM 0 H PHE A 24 1.119 -5.272 -1.147 1.00 44.53 H new ATOM 0 HA PHE A 24 0.134 -3.049 0.498 1.00 1.34 H new ATOM 0 HB2 PHE A 24 0.150 -5.448 1.274 1.00 43.23 H new ATOM 0 HB3 PHE A 24 1.899 -5.441 1.174 1.00 43.23 H new ATOM 0 HD1 PHE A 24 -0.729 -3.192 2.700 1.00 31.04 H new ATOM 0 HD2 PHE A 24 2.965 -5.271 3.279 1.00 1.13 H new ATOM 0 HE1 PHE A 24 -0.631 -2.387 5.017 1.00 11.10 H new ATOM 0 HE2 PHE A 24 3.049 -4.459 5.594 1.00 41.15 H new ATOM 0 HZ PHE A 24 1.261 -3.007 6.464 1.00 55.44 H new ATOM 391 N SER A 25 3.271 -3.358 -0.481 1.00 41.54 N ATOM 392 CA SER A 25 4.523 -2.606 -0.707 1.00 61.20 C ATOM 393 C SER A 25 4.227 -1.270 -1.416 1.00 70.22 C ATOM 394 O SER A 25 4.611 -0.199 -0.940 1.00 14.11 O ATOM 395 CB SER A 25 5.522 -3.456 -1.532 1.00 75.43 C ATOM 396 OG SER A 25 6.770 -2.810 -1.678 1.00 43.32 O ATOM 0 H SER A 25 3.251 -4.270 -0.937 1.00 41.54 H new ATOM 0 HA SER A 25 4.977 -2.387 0.259 1.00 61.20 H new ATOM 0 HB2 SER A 25 5.667 -4.420 -1.044 1.00 75.43 H new ATOM 0 HB3 SER A 25 5.100 -3.657 -2.517 1.00 75.43 H new ATOM 0 HG SER A 25 7.373 -3.378 -2.202 1.00 43.32 H new ATOM 402 N ALA A 26 3.476 -1.359 -2.528 1.00 74.15 N ATOM 403 CA ALA A 26 3.028 -0.187 -3.308 1.00 44.13 C ATOM 404 C ALA A 26 1.961 0.655 -2.561 1.00 52.12 C ATOM 405 O ALA A 26 1.771 1.829 -2.884 1.00 54.04 O ATOM 406 CB ALA A 26 2.494 -0.644 -4.672 1.00 72.51 C ATOM 0 H ALA A 26 3.160 -2.249 -2.914 1.00 74.15 H new ATOM 0 HA ALA A 26 3.893 0.460 -3.450 1.00 44.13 H new ATOM 0 HB1 ALA A 26 2.165 0.224 -5.243 1.00 72.51 H new ATOM 0 HB2 ALA A 26 3.284 -1.159 -5.218 1.00 72.51 H new ATOM 0 HB3 ALA A 26 1.653 -1.322 -4.525 1.00 72.51 H new ATOM 412 N TYR A 27 1.263 0.042 -1.575 1.00 22.51 N ATOM 413 CA TYR A 27 0.285 0.762 -0.716 1.00 54.32 C ATOM 414 C TYR A 27 1.005 1.718 0.261 1.00 20.13 C ATOM 415 O TYR A 27 0.626 2.881 0.397 1.00 3.33 O ATOM 416 CB TYR A 27 -0.566 -0.240 0.090 1.00 51.34 C ATOM 417 CG TYR A 27 -1.676 0.403 0.947 1.00 52.52 C ATOM 418 CD1 TYR A 27 -2.830 0.928 0.352 1.00 21.25 C ATOM 419 CD2 TYR A 27 -1.560 0.509 2.342 1.00 4.21 C ATOM 420 CE1 TYR A 27 -3.825 1.519 1.112 1.00 31.21 C ATOM 421 CE2 TYR A 27 -2.551 1.101 3.098 1.00 53.33 C ATOM 422 CZ TYR A 27 -3.680 1.607 2.481 1.00 54.41 C ATOM 423 OH TYR A 27 -4.669 2.204 3.238 1.00 22.31 O ATOM 0 H TYR A 27 1.357 -0.949 -1.353 1.00 22.51 H new ATOM 0 HA TYR A 27 -0.363 1.345 -1.370 1.00 54.32 H new ATOM 0 HB2 TYR A 27 -1.023 -0.947 -0.602 1.00 51.34 H new ATOM 0 HB3 TYR A 27 0.093 -0.813 0.743 1.00 51.34 H new ATOM 0 HD1 TYR A 27 -2.946 0.871 -0.720 1.00 21.25 H new ATOM 0 HD2 TYR A 27 -0.680 0.120 2.832 1.00 4.21 H new ATOM 0 HE1 TYR A 27 -4.712 1.910 0.635 1.00 31.21 H new ATOM 0 HE2 TYR A 27 -2.445 1.169 4.171 1.00 53.33 H new ATOM 0 HH TYR A 27 -4.414 2.184 4.184 1.00 22.31 H new ATOM 433 N ARG A 28 2.034 1.197 0.944 1.00 54.52 N ATOM 434 CA ARG A 28 2.861 1.986 1.879 1.00 2.02 C ATOM 435 C ARG A 28 3.689 3.041 1.130 1.00 14.21 C ATOM 436 O ARG A 28 4.029 4.089 1.687 1.00 3.12 O ATOM 437 CB ARG A 28 3.789 1.044 2.693 1.00 31.13 C ATOM 438 CG ARG A 28 3.041 0.000 3.556 1.00 15.04 C ATOM 439 CD ARG A 28 3.991 -0.992 4.255 1.00 11.14 C ATOM 440 NE ARG A 28 4.949 -0.315 5.147 1.00 34.13 N ATOM 441 CZ ARG A 28 5.817 -0.909 5.940 1.00 34.24 C ATOM 442 NH1 ARG A 28 5.889 -2.200 6.032 1.00 63.02 N ATOM 443 NH2 ARG A 28 6.616 -0.192 6.657 1.00 72.03 N ATOM 0 H ARG A 28 2.319 0.221 0.867 1.00 54.52 H new ATOM 0 HA ARG A 28 2.196 2.509 2.566 1.00 2.02 H new ATOM 0 HB2 ARG A 28 4.450 0.520 2.003 1.00 31.13 H new ATOM 0 HB3 ARG A 28 4.421 1.649 3.343 1.00 31.13 H new ATOM 0 HG2 ARG A 28 2.446 0.517 4.309 1.00 15.04 H new ATOM 0 HG3 ARG A 28 2.345 -0.554 2.925 1.00 15.04 H new ATOM 0 HD2 ARG A 28 3.405 -1.708 4.831 1.00 11.14 H new ATOM 0 HD3 ARG A 28 4.538 -1.560 3.502 1.00 11.14 H new ATOM 0 HE ARG A 28 4.939 0.705 5.151 1.00 34.13 H new ATOM 0 HH11 ARG A 28 5.262 -2.786 5.481 1.00 63.02 H new ATOM 0 HH12 ARG A 28 6.572 -2.630 6.656 1.00 63.02 H new ATOM 0 HH21 ARG A 28 6.572 0.826 6.607 1.00 72.03 H new ATOM 0 HH22 ARG A 28 7.291 -0.643 7.274 1.00 72.03 H new ATOM 457 N VAL A 29 3.992 2.746 -0.145 1.00 22.23 N ATOM 458 CA VAL A 29 4.672 3.703 -1.041 1.00 24.11 C ATOM 459 C VAL A 29 3.728 4.850 -1.426 1.00 43.32 C ATOM 460 O VAL A 29 4.090 6.022 -1.303 1.00 1.10 O ATOM 461 CB VAL A 29 5.255 2.991 -2.326 1.00 41.34 C ATOM 462 CG1 VAL A 29 5.605 3.986 -3.461 1.00 34.24 C ATOM 463 CG2 VAL A 29 6.493 2.148 -1.956 1.00 45.05 C ATOM 0 H VAL A 29 3.777 1.850 -0.582 1.00 22.23 H new ATOM 0 HA VAL A 29 5.517 4.123 -0.495 1.00 24.11 H new ATOM 0 HB VAL A 29 4.469 2.340 -2.708 1.00 41.34 H new ATOM 0 HG11 VAL A 29 6.001 3.438 -4.316 1.00 34.24 H new ATOM 0 HG12 VAL A 29 4.707 4.527 -3.760 1.00 34.24 H new ATOM 0 HG13 VAL A 29 6.354 4.694 -3.106 1.00 34.24 H new ATOM 0 HG21 VAL A 29 6.884 1.663 -2.851 1.00 45.05 H new ATOM 0 HG22 VAL A 29 7.260 2.795 -1.529 1.00 45.05 H new ATOM 0 HG23 VAL A 29 6.211 1.389 -1.226 1.00 45.05 H new ATOM 473 N LYS A 30 2.508 4.504 -1.860 1.00 12.45 N ATOM 474 CA LYS A 30 1.509 5.506 -2.281 1.00 54.41 C ATOM 475 C LYS A 30 0.973 6.293 -1.072 1.00 23.50 C ATOM 476 O LYS A 30 0.453 7.386 -1.249 1.00 10.25 O ATOM 477 CB LYS A 30 0.328 4.859 -3.052 1.00 22.12 C ATOM 478 CG LYS A 30 -0.743 4.204 -2.160 1.00 71.11 C ATOM 479 CD LYS A 30 -1.891 3.549 -2.950 1.00 3.02 C ATOM 480 CE LYS A 30 -2.699 4.558 -3.789 1.00 32.31 C ATOM 481 NZ LYS A 30 -3.842 3.914 -4.489 1.00 22.31 N ATOM 0 H LYS A 30 2.186 3.539 -1.930 1.00 12.45 H new ATOM 0 HA LYS A 30 2.018 6.194 -2.956 1.00 54.41 H new ATOM 0 HB2 LYS A 30 -0.148 5.623 -3.667 1.00 22.12 H new ATOM 0 HB3 LYS A 30 0.725 4.105 -3.732 1.00 22.12 H new ATOM 0 HG2 LYS A 30 -0.269 3.449 -1.533 1.00 71.11 H new ATOM 0 HG3 LYS A 30 -1.158 4.959 -1.492 1.00 71.11 H new ATOM 0 HD2 LYS A 30 -1.481 2.784 -3.609 1.00 3.02 H new ATOM 0 HD3 LYS A 30 -2.561 3.044 -2.254 1.00 3.02 H new ATOM 0 HE2 LYS A 30 -3.072 5.351 -3.141 1.00 32.31 H new ATOM 0 HE3 LYS A 30 -2.043 5.027 -4.522 1.00 32.31 H new ATOM 0 HZ1 LYS A 30 -4.358 4.628 -5.041 1.00 22.31 H new ATOM 0 HZ2 LYS A 30 -3.486 3.174 -5.127 1.00 22.31 H new ATOM 0 HZ3 LYS A 30 -4.483 3.489 -3.789 1.00 22.31 H new ATOM 495 N ALA A 31 1.076 5.719 0.152 1.00 22.45 N ATOM 496 CA ALA A 31 0.662 6.420 1.388 1.00 63.24 C ATOM 497 C ALA A 31 1.730 7.425 1.804 1.00 44.14 C ATOM 498 O ALA A 31 1.419 8.509 2.311 1.00 31.14 O ATOM 499 CB ALA A 31 0.414 5.435 2.528 1.00 72.41 C ATOM 0 H ALA A 31 1.440 4.779 0.307 1.00 22.45 H new ATOM 0 HA ALA A 31 -0.270 6.944 1.178 1.00 63.24 H new ATOM 0 HB1 ALA A 31 0.112 5.981 3.421 1.00 72.41 H new ATOM 0 HB2 ALA A 31 -0.376 4.740 2.243 1.00 72.41 H new ATOM 0 HB3 ALA A 31 1.329 4.880 2.735 1.00 72.41 H new ATOM 505 N TYR A 32 2.998 7.032 1.586 1.00 10.44 N ATOM 506 CA TYR A 32 4.155 7.902 1.813 1.00 51.43 C ATOM 507 C TYR A 32 4.100 9.104 0.862 1.00 2.22 C ATOM 508 O TYR A 32 4.312 10.229 1.279 1.00 75.40 O ATOM 509 CB TYR A 32 5.481 7.111 1.632 1.00 65.31 C ATOM 510 CG TYR A 32 6.751 7.943 1.891 1.00 71.35 C ATOM 511 CD1 TYR A 32 7.173 8.223 3.193 1.00 73.41 C ATOM 512 CD2 TYR A 32 7.511 8.471 0.837 1.00 64.42 C ATOM 513 CE1 TYR A 32 8.305 8.983 3.433 1.00 20.34 C ATOM 514 CE2 TYR A 32 8.641 9.226 1.078 1.00 14.41 C ATOM 515 CZ TYR A 32 9.030 9.486 2.373 1.00 61.54 C ATOM 516 OH TYR A 32 10.153 10.251 2.611 1.00 22.52 O ATOM 0 H TYR A 32 3.244 6.102 1.248 1.00 10.44 H new ATOM 0 HA TYR A 32 4.123 8.269 2.839 1.00 51.43 H new ATOM 0 HB2 TYR A 32 5.476 6.256 2.308 1.00 65.31 H new ATOM 0 HB3 TYR A 32 5.520 6.715 0.617 1.00 65.31 H new ATOM 0 HD1 TYR A 32 6.606 7.839 4.028 1.00 73.41 H new ATOM 0 HD2 TYR A 32 7.206 8.283 -0.182 1.00 64.42 H new ATOM 0 HE1 TYR A 32 8.619 9.181 4.447 1.00 20.34 H new ATOM 0 HE2 TYR A 32 9.219 9.612 0.252 1.00 14.41 H new ATOM 0 HH TYR A 32 10.548 10.526 1.758 1.00 22.52 H new ATOM 526 N ASN A 33 3.773 8.822 -0.403 1.00 15.54 N ATOM 527 CA ASN A 33 3.733 9.826 -1.495 1.00 12.42 C ATOM 528 C ASN A 33 2.434 10.668 -1.482 1.00 70.41 C ATOM 529 O ASN A 33 2.449 11.831 -1.892 1.00 54.03 O ATOM 530 CB ASN A 33 3.910 9.128 -2.866 1.00 53.10 C ATOM 531 CG ASN A 33 5.255 8.401 -3.005 1.00 64.31 C ATOM 532 OD1 ASN A 33 6.259 8.800 -2.423 1.00 51.54 O ATOM 533 ND2 ASN A 33 5.285 7.331 -3.777 1.00 51.44 N ATOM 0 H ASN A 33 3.524 7.882 -0.711 1.00 15.54 H new ATOM 0 HA ASN A 33 4.559 10.517 -1.328 1.00 12.42 H new ATOM 0 HB2 ASN A 33 3.101 8.412 -3.009 1.00 53.10 H new ATOM 0 HB3 ASN A 33 3.822 9.871 -3.659 1.00 53.10 H new ATOM 0 HD21 ASN A 33 6.156 6.816 -3.901 1.00 51.44 H new ATOM 0 HD22 ASN A 33 4.437 7.019 -4.250 1.00 51.44 H new ATOM 540 N SER A 34 1.312 10.065 -1.040 1.00 41.24 N ATOM 541 CA SER A 34 0.027 10.800 -0.852 1.00 12.43 C ATOM 542 C SER A 34 0.166 11.832 0.274 1.00 64.55 C ATOM 543 O SER A 34 -0.135 13.009 0.086 1.00 11.24 O ATOM 544 CB SER A 34 -1.145 9.837 -0.529 1.00 14.12 C ATOM 545 OG SER A 34 -2.358 10.535 -0.269 1.00 31.55 O ATOM 0 H SER A 34 1.261 9.074 -0.805 1.00 41.24 H new ATOM 0 HA SER A 34 -0.198 11.306 -1.791 1.00 12.43 H new ATOM 0 HB2 SER A 34 -1.293 9.154 -1.365 1.00 14.12 H new ATOM 0 HB3 SER A 34 -0.885 9.229 0.337 1.00 14.12 H new ATOM 0 HG SER A 34 -3.070 9.891 -0.072 1.00 31.55 H new ATOM 551 N ALA A 35 0.655 11.363 1.434 1.00 24.41 N ATOM 552 CA ALA A 35 0.905 12.221 2.602 1.00 10.31 C ATOM 553 C ALA A 35 2.029 13.239 2.331 1.00 53.15 C ATOM 554 O ALA A 35 1.943 14.376 2.777 1.00 21.43 O ATOM 555 CB ALA A 35 1.240 11.371 3.826 1.00 32.15 C ATOM 0 H ALA A 35 0.887 10.382 1.587 1.00 24.41 H new ATOM 0 HA ALA A 35 -0.008 12.783 2.800 1.00 10.31 H new ATOM 0 HB1 ALA A 35 1.422 12.021 4.682 1.00 32.15 H new ATOM 0 HB2 ALA A 35 0.405 10.706 4.047 1.00 32.15 H new ATOM 0 HB3 ALA A 35 2.132 10.778 3.624 1.00 32.15 H new ATOM 561 N ALA A 36 3.081 12.807 1.606 1.00 73.50 N ATOM 562 CA ALA A 36 4.212 13.708 1.217 1.00 70.40 C ATOM 563 C ALA A 36 3.749 14.875 0.320 1.00 53.23 C ATOM 564 O ALA A 36 4.021 16.039 0.623 1.00 11.13 O ATOM 565 CB ALA A 36 5.335 12.934 0.511 1.00 21.52 C ATOM 0 H ALA A 36 3.181 11.848 1.274 1.00 73.50 H new ATOM 0 HA ALA A 36 4.598 14.124 2.148 1.00 70.40 H new ATOM 0 HB1 ALA A 36 6.138 13.621 0.244 1.00 21.52 H new ATOM 0 HB2 ALA A 36 5.723 12.165 1.179 1.00 21.52 H new ATOM 0 HB3 ALA A 36 4.942 12.466 -0.392 1.00 21.52 H new ATOM 571 N SER A 37 3.057 14.539 -0.786 1.00 51.54 N ATOM 572 CA SER A 37 2.533 15.543 -1.743 1.00 33.23 C ATOM 573 C SER A 37 1.529 16.491 -1.064 1.00 52.53 C ATOM 574 O SER A 37 1.666 17.706 -1.158 1.00 42.13 O ATOM 575 CB SER A 37 1.866 14.847 -2.950 1.00 1.52 C ATOM 576 OG SER A 37 1.321 15.786 -3.866 1.00 30.43 O ATOM 0 H SER A 37 2.845 13.575 -1.043 1.00 51.54 H new ATOM 0 HA SER A 37 3.378 16.134 -2.096 1.00 33.23 H new ATOM 0 HB2 SER A 37 2.600 14.224 -3.462 1.00 1.52 H new ATOM 0 HB3 SER A 37 1.076 14.184 -2.596 1.00 1.52 H new ATOM 0 HG SER A 37 0.909 15.309 -4.617 1.00 30.43 H new ATOM 582 N SER A 38 0.553 15.908 -0.344 1.00 3.30 N ATOM 583 CA SER A 38 -0.513 16.670 0.350 1.00 54.04 C ATOM 584 C SER A 38 0.029 17.532 1.504 1.00 21.04 C ATOM 585 O SER A 38 -0.574 18.539 1.852 1.00 72.20 O ATOM 586 CB SER A 38 -1.611 15.722 0.866 1.00 0.44 C ATOM 587 OG SER A 38 -2.232 15.024 -0.204 1.00 43.52 O ATOM 0 H SER A 38 0.477 14.898 -0.224 1.00 3.30 H new ATOM 0 HA SER A 38 -0.940 17.350 -0.387 1.00 54.04 H new ATOM 0 HB2 SER A 38 -1.179 15.008 1.567 1.00 0.44 H new ATOM 0 HB3 SER A 38 -2.360 16.293 1.414 1.00 0.44 H new ATOM 0 HG SER A 38 -1.740 14.196 -0.384 1.00 43.52 H new ATOM 593 N ASP A 39 1.148 17.113 2.109 1.00 4.14 N ATOM 594 CA ASP A 39 1.892 17.951 3.081 1.00 63.43 C ATOM 595 C ASP A 39 2.434 19.230 2.402 1.00 50.43 C ATOM 596 O ASP A 39 2.276 20.343 2.911 1.00 74.24 O ATOM 597 CB ASP A 39 3.053 17.128 3.683 1.00 0.54 C ATOM 598 CG ASP A 39 3.898 17.888 4.715 1.00 32.40 C ATOM 599 OD1 ASP A 39 3.420 18.088 5.854 1.00 43.20 O ATOM 600 OD2 ASP A 39 5.050 18.270 4.408 1.00 13.52 O ATOM 0 H ASP A 39 1.566 16.197 1.947 1.00 4.14 H new ATOM 0 HA ASP A 39 1.214 18.256 3.878 1.00 63.43 H new ATOM 0 HB2 ASP A 39 2.643 16.234 4.154 1.00 0.54 H new ATOM 0 HB3 ASP A 39 3.703 16.793 2.874 1.00 0.54 H new ATOM 605 N LEU A 40 3.056 19.036 1.226 1.00 60.12 N ATOM 606 CA LEU A 40 3.680 20.126 0.441 1.00 40.04 C ATOM 607 C LEU A 40 2.627 21.017 -0.262 1.00 31.44 C ATOM 608 O LEU A 40 2.919 22.154 -0.635 1.00 63.12 O ATOM 609 CB LEU A 40 4.656 19.518 -0.600 1.00 52.52 C ATOM 610 CG LEU A 40 5.833 18.669 -0.018 1.00 42.43 C ATOM 611 CD1 LEU A 40 6.694 18.044 -1.138 1.00 24.14 C ATOM 612 CD2 LEU A 40 6.706 19.500 0.955 1.00 74.23 C ATOM 0 H LEU A 40 3.143 18.119 0.789 1.00 60.12 H new ATOM 0 HA LEU A 40 4.228 20.767 1.132 1.00 40.04 H new ATOM 0 HB2 LEU A 40 4.084 18.890 -1.283 1.00 52.52 H new ATOM 0 HB3 LEU A 40 5.078 20.330 -1.192 1.00 52.52 H new ATOM 0 HG LEU A 40 5.387 17.852 0.550 1.00 42.43 H new ATOM 0 HD11 LEU A 40 7.501 17.462 -0.694 1.00 24.14 H new ATOM 0 HD12 LEU A 40 6.073 17.393 -1.754 1.00 24.14 H new ATOM 0 HD13 LEU A 40 7.116 18.836 -1.757 1.00 24.14 H new ATOM 0 HD21 LEU A 40 7.514 18.878 1.340 1.00 74.23 H new ATOM 0 HD22 LEU A 40 7.127 20.355 0.426 1.00 74.23 H new ATOM 0 HD23 LEU A 40 6.092 19.852 1.784 1.00 74.23 H new ATOM 624 N ARG A 41 1.422 20.465 -0.472 1.00 64.11 N ATOM 625 CA ARG A 41 0.285 21.194 -1.075 1.00 44.40 C ATOM 626 C ARG A 41 -0.481 22.014 -0.022 1.00 33.23 C ATOM 627 O ARG A 41 -0.551 23.236 -0.106 1.00 1.40 O ATOM 628 CB ARG A 41 -0.680 20.211 -1.794 1.00 63.13 C ATOM 629 CG ARG A 41 -0.092 19.525 -3.049 1.00 71.45 C ATOM 630 CD ARG A 41 -1.085 18.550 -3.715 1.00 15.35 C ATOM 631 NE ARG A 41 -2.330 19.224 -4.138 1.00 74.30 N ATOM 632 CZ ARG A 41 -3.245 18.712 -4.933 1.00 30.43 C ATOM 633 NH1 ARG A 41 -3.135 17.512 -5.409 1.00 21.03 N ATOM 634 NH2 ARG A 41 -4.289 19.408 -5.237 1.00 1.10 N ATOM 0 H ARG A 41 1.204 19.499 -0.229 1.00 64.11 H new ATOM 0 HA ARG A 41 0.694 21.887 -1.810 1.00 44.40 H new ATOM 0 HB2 ARG A 41 -0.985 19.441 -1.086 1.00 63.13 H new ATOM 0 HB3 ARG A 41 -1.580 20.754 -2.082 1.00 63.13 H new ATOM 0 HG2 ARG A 41 0.202 20.287 -3.771 1.00 71.45 H new ATOM 0 HG3 ARG A 41 0.812 18.983 -2.772 1.00 71.45 H new ATOM 0 HD2 ARG A 41 -0.612 18.088 -4.581 1.00 15.35 H new ATOM 0 HD3 ARG A 41 -1.327 17.748 -3.018 1.00 15.35 H new ATOM 0 HE ARG A 41 -2.494 20.166 -3.784 1.00 74.30 H new ATOM 0 HH11 ARG A 41 -2.325 16.941 -5.169 1.00 21.03 H new ATOM 0 HH12 ARG A 41 -3.859 17.139 -6.023 1.00 21.03 H new ATOM 0 HH21 ARG A 41 -4.401 20.350 -4.861 1.00 1.10 H new ATOM 0 HH22 ARG A 41 -5.002 19.016 -5.853 1.00 1.10 H new ATOM 648 N ASN A 42 -1.029 21.306 0.982 1.00 22.34 N ATOM 649 CA ASN A 42 -1.961 21.877 1.985 1.00 23.24 C ATOM 650 C ASN A 42 -1.325 23.017 2.823 1.00 4.51 C ATOM 651 O ASN A 42 -1.990 24.016 3.121 1.00 31.22 O ATOM 652 CB ASN A 42 -2.479 20.735 2.893 1.00 0.41 C ATOM 653 CG ASN A 42 -3.423 21.189 4.011 1.00 2.32 C ATOM 654 OD1 ASN A 42 -4.637 21.262 3.840 1.00 51.05 O ATOM 655 ND2 ASN A 42 -2.872 21.480 5.171 1.00 61.11 N ATOM 0 H ASN A 42 -0.839 20.314 1.126 1.00 22.34 H new ATOM 0 HA ASN A 42 -2.794 22.336 1.452 1.00 23.24 H new ATOM 0 HB2 ASN A 42 -2.996 20.002 2.274 1.00 0.41 H new ATOM 0 HB3 ASN A 42 -1.624 20.228 3.340 1.00 0.41 H new ATOM 0 HD21 ASN A 42 -3.456 21.774 5.954 1.00 61.11 H new ATOM 0 HD22 ASN A 42 -1.861 21.411 5.287 1.00 61.11 H new ATOM 662 N LEU A 43 -0.039 22.869 3.181 1.00 72.23 N ATOM 663 CA LEU A 43 0.676 23.880 4.002 1.00 2.32 C ATOM 664 C LEU A 43 1.110 25.098 3.156 1.00 74.24 C ATOM 665 O LEU A 43 1.135 26.232 3.655 1.00 2.34 O ATOM 666 CB LEU A 43 1.905 23.248 4.706 1.00 53.44 C ATOM 667 CG LEU A 43 1.593 22.133 5.759 1.00 62.01 C ATOM 668 CD1 LEU A 43 2.888 21.586 6.405 1.00 73.42 C ATOM 669 CD2 LEU A 43 0.605 22.638 6.841 1.00 74.22 C ATOM 0 H LEU A 43 0.531 22.065 2.920 1.00 72.23 H new ATOM 0 HA LEU A 43 -0.021 24.233 4.762 1.00 2.32 H new ATOM 0 HB2 LEU A 43 2.559 22.827 3.943 1.00 53.44 H new ATOM 0 HB3 LEU A 43 2.463 24.042 5.201 1.00 53.44 H new ATOM 0 HG LEU A 43 1.114 21.311 5.227 1.00 62.01 H new ATOM 0 HD11 LEU A 43 2.634 20.814 7.131 1.00 73.42 H new ATOM 0 HD12 LEU A 43 3.529 21.161 5.632 1.00 73.42 H new ATOM 0 HD13 LEU A 43 3.415 22.397 6.907 1.00 73.42 H new ATOM 0 HD21 LEU A 43 0.410 21.839 7.557 1.00 74.22 H new ATOM 0 HD22 LEU A 43 1.040 23.492 7.360 1.00 74.22 H new ATOM 0 HD23 LEU A 43 -0.330 22.938 6.368 1.00 74.22 H new ATOM 681 N LYS A 44 1.418 24.855 1.867 1.00 3.14 N ATOM 682 CA LYS A 44 1.904 25.902 0.950 1.00 40.03 C ATOM 683 C LYS A 44 0.745 26.806 0.502 1.00 33.30 C ATOM 684 O LYS A 44 0.860 28.025 0.508 1.00 33.34 O ATOM 685 CB LYS A 44 2.580 25.263 -0.285 1.00 45.43 C ATOM 686 CG LYS A 44 3.131 26.275 -1.316 1.00 12.00 C ATOM 687 CD LYS A 44 3.783 25.606 -2.542 1.00 44.44 C ATOM 688 CE LYS A 44 5.016 24.766 -2.183 1.00 44.44 C ATOM 689 NZ LYS A 44 5.647 24.168 -3.390 1.00 45.24 N ATOM 0 H LYS A 44 1.337 23.934 1.436 1.00 3.14 H new ATOM 0 HA LYS A 44 2.637 26.509 1.481 1.00 40.03 H new ATOM 0 HB2 LYS A 44 3.399 24.628 0.054 1.00 45.43 H new ATOM 0 HB3 LYS A 44 1.859 24.615 -0.782 1.00 45.43 H new ATOM 0 HG2 LYS A 44 2.318 26.919 -1.652 1.00 12.00 H new ATOM 0 HG3 LYS A 44 3.865 26.916 -0.828 1.00 12.00 H new ATOM 0 HD2 LYS A 44 3.048 24.970 -3.035 1.00 44.44 H new ATOM 0 HD3 LYS A 44 4.071 26.375 -3.259 1.00 44.44 H new ATOM 0 HE2 LYS A 44 5.743 25.391 -1.664 1.00 44.44 H new ATOM 0 HE3 LYS A 44 4.727 23.973 -1.493 1.00 44.44 H new ATOM 0 HZ1 LYS A 44 6.476 23.608 -3.107 1.00 45.24 H new ATOM 0 HZ2 LYS A 44 4.961 23.552 -3.871 1.00 45.24 H new ATOM 0 HZ3 LYS A 44 5.945 24.925 -4.037 1.00 45.24 H new ATOM 703 N THR A 45 -0.376 26.165 0.144 1.00 25.23 N ATOM 704 CA THR A 45 -1.597 26.856 -0.321 1.00 73.32 C ATOM 705 C THR A 45 -2.229 27.683 0.820 1.00 34.52 C ATOM 706 O THR A 45 -2.820 28.742 0.592 1.00 71.13 O ATOM 707 CB THR A 45 -2.625 25.822 -0.894 1.00 32.32 C ATOM 708 OG1 THR A 45 -3.625 26.489 -1.680 1.00 64.11 O ATOM 709 CG2 THR A 45 -3.329 24.983 0.188 1.00 42.14 C ATOM 0 H THR A 45 -0.467 25.149 0.167 1.00 25.23 H new ATOM 0 HA THR A 45 -1.319 27.544 -1.120 1.00 73.32 H new ATOM 0 HB THR A 45 -2.039 25.139 -1.509 1.00 32.32 H new ATOM 0 HG1 THR A 45 -4.258 25.829 -2.032 1.00 64.11 H new ATOM 0 HG21 THR A 45 -4.025 24.290 -0.285 1.00 42.14 H new ATOM 0 HG22 THR A 45 -2.586 24.421 0.754 1.00 42.14 H new ATOM 0 HG23 THR A 45 -3.875 25.643 0.862 1.00 42.14 H new ATOM 717 N ALA A 46 -2.079 27.160 2.052 1.00 4.12 N ATOM 718 CA ALA A 46 -2.471 27.855 3.293 1.00 71.44 C ATOM 719 C ALA A 46 -1.588 29.095 3.552 1.00 71.14 C ATOM 720 O ALA A 46 -2.088 30.134 3.983 1.00 13.25 O ATOM 721 CB ALA A 46 -2.404 26.886 4.481 1.00 74.03 C ATOM 0 H ALA A 46 -1.679 26.236 2.215 1.00 4.12 H new ATOM 0 HA ALA A 46 -3.497 28.204 3.176 1.00 71.44 H new ATOM 0 HB1 ALA A 46 -2.695 27.408 5.393 1.00 74.03 H new ATOM 0 HB2 ALA A 46 -3.083 26.051 4.308 1.00 74.03 H new ATOM 0 HB3 ALA A 46 -1.386 26.510 4.587 1.00 74.03 H new ATOM 727 N LEU A 47 -0.273 28.959 3.283 1.00 52.25 N ATOM 728 CA LEU A 47 0.708 30.064 3.394 1.00 31.50 C ATOM 729 C LEU A 47 0.389 31.178 2.363 1.00 70.20 C ATOM 730 O LEU A 47 0.328 32.360 2.707 1.00 3.34 O ATOM 731 CB LEU A 47 2.139 29.459 3.209 1.00 24.41 C ATOM 732 CG LEU A 47 3.385 30.362 3.541 1.00 45.13 C ATOM 733 CD1 LEU A 47 4.634 29.493 3.812 1.00 62.13 C ATOM 734 CD2 LEU A 47 3.699 31.382 2.419 1.00 33.04 C ATOM 0 H LEU A 47 0.142 28.077 2.981 1.00 52.25 H new ATOM 0 HA LEU A 47 0.654 30.537 4.374 1.00 31.50 H new ATOM 0 HB2 LEU A 47 2.203 28.565 3.829 1.00 24.41 H new ATOM 0 HB3 LEU A 47 2.231 29.136 2.172 1.00 24.41 H new ATOM 0 HG LEU A 47 3.126 30.925 4.438 1.00 45.13 H new ATOM 0 HD11 LEU A 47 5.483 30.137 4.039 1.00 62.13 H new ATOM 0 HD12 LEU A 47 4.442 28.834 4.659 1.00 62.13 H new ATOM 0 HD13 LEU A 47 4.859 28.894 2.930 1.00 62.13 H new ATOM 0 HD21 LEU A 47 4.567 31.978 2.701 1.00 33.04 H new ATOM 0 HD22 LEU A 47 3.910 30.849 1.492 1.00 33.04 H new ATOM 0 HD23 LEU A 47 2.841 32.038 2.273 1.00 33.04 H new ATOM 746 N GLU A 48 0.140 30.770 1.106 1.00 0.23 N ATOM 747 CA GLU A 48 -0.170 31.694 -0.007 1.00 72.00 C ATOM 748 C GLU A 48 -1.512 32.421 0.218 1.00 53.02 C ATOM 749 O GLU A 48 -1.684 33.553 -0.222 1.00 1.41 O ATOM 750 CB GLU A 48 -0.204 30.916 -1.347 1.00 65.32 C ATOM 751 CG GLU A 48 1.151 30.301 -1.770 1.00 61.13 C ATOM 752 CD GLU A 48 1.024 29.386 -2.999 1.00 73.42 C ATOM 753 OE1 GLU A 48 1.139 29.881 -4.142 1.00 43.53 O ATOM 754 OE2 GLU A 48 0.765 28.173 -2.832 1.00 64.03 O ATOM 0 H GLU A 48 0.147 29.788 0.829 1.00 0.23 H new ATOM 0 HA GLU A 48 0.616 32.449 -0.046 1.00 72.00 H new ATOM 0 HB2 GLU A 48 -0.942 30.118 -1.270 1.00 65.32 H new ATOM 0 HB3 GLU A 48 -0.544 31.589 -2.134 1.00 65.32 H new ATOM 0 HG2 GLU A 48 1.857 31.102 -1.989 1.00 61.13 H new ATOM 0 HG3 GLU A 48 1.563 29.731 -0.938 1.00 61.13 H new ATOM 761 N SER A 49 -2.454 31.755 0.910 1.00 1.20 N ATOM 762 CA SER A 49 -3.781 32.328 1.221 1.00 52.05 C ATOM 763 C SER A 49 -3.721 33.272 2.448 1.00 50.31 C ATOM 764 O SER A 49 -4.347 34.336 2.449 1.00 70.23 O ATOM 765 CB SER A 49 -4.806 31.194 1.465 1.00 11.12 C ATOM 766 OG SER A 49 -6.127 31.696 1.626 1.00 31.32 O ATOM 0 H SER A 49 -2.320 30.810 1.269 1.00 1.20 H new ATOM 0 HA SER A 49 -4.099 32.921 0.363 1.00 52.05 H new ATOM 0 HB2 SER A 49 -4.782 30.497 0.627 1.00 11.12 H new ATOM 0 HB3 SER A 49 -4.521 30.632 2.354 1.00 11.12 H new ATOM 0 HG SER A 49 -6.744 30.950 1.776 1.00 31.32 H new ATOM 772 N ALA A 50 -2.927 32.889 3.470 1.00 71.02 N ATOM 773 CA ALA A 50 -2.838 33.628 4.756 1.00 42.25 C ATOM 774 C ALA A 50 -2.031 34.935 4.609 1.00 23.34 C ATOM 775 O ALA A 50 -2.347 35.955 5.235 1.00 22.13 O ATOM 776 CB ALA A 50 -2.206 32.734 5.839 1.00 64.15 C ATOM 0 H ALA A 50 -2.330 32.063 3.432 1.00 71.02 H new ATOM 0 HA ALA A 50 -3.851 33.896 5.055 1.00 42.25 H new ATOM 0 HB1 ALA A 50 -2.146 33.286 6.777 1.00 64.15 H new ATOM 0 HB2 ALA A 50 -2.820 31.844 5.980 1.00 64.15 H new ATOM 0 HB3 ALA A 50 -1.204 32.438 5.527 1.00 64.15 H new ATOM 782 N PHE A 51 -0.980 34.877 3.776 1.00 43.31 N ATOM 783 CA PHE A 51 -0.106 36.029 3.464 1.00 33.15 C ATOM 784 C PHE A 51 -0.582 36.742 2.182 1.00 22.04 C ATOM 785 O PHE A 51 -0.077 37.822 1.851 1.00 32.32 O ATOM 786 CB PHE A 51 1.366 35.558 3.310 1.00 34.41 C ATOM 787 CG PHE A 51 2.014 35.111 4.625 1.00 71.55 C ATOM 788 CD1 PHE A 51 2.651 36.037 5.456 1.00 52.24 C ATOM 789 CD2 PHE A 51 1.986 33.776 5.036 1.00 14.41 C ATOM 790 CE1 PHE A 51 3.235 35.643 6.646 1.00 72.43 C ATOM 791 CE2 PHE A 51 2.571 33.381 6.227 1.00 72.34 C ATOM 792 CZ PHE A 51 3.197 34.315 7.031 1.00 3.21 C ATOM 0 H PHE A 51 -0.707 34.021 3.293 1.00 43.31 H new ATOM 0 HA PHE A 51 -0.161 36.739 4.289 1.00 33.15 H new ATOM 0 HB2 PHE A 51 1.401 34.732 2.600 1.00 34.41 H new ATOM 0 HB3 PHE A 51 1.955 36.370 2.884 1.00 34.41 H new ATOM 0 HD1 PHE A 51 2.688 37.076 5.164 1.00 52.24 H new ATOM 0 HD2 PHE A 51 1.500 33.039 4.414 1.00 14.41 H new ATOM 0 HE1 PHE A 51 3.721 36.373 7.276 1.00 72.43 H new ATOM 0 HE2 PHE A 51 2.538 32.344 6.528 1.00 72.34 H new ATOM 0 HZ PHE A 51 3.656 34.008 7.959 1.00 3.21 H new ATOM 802 N ALA A 52 -1.536 36.096 1.455 1.00 33.21 N ATOM 803 CA ALA A 52 -2.153 36.630 0.220 1.00 74.25 C ATOM 804 C ALA A 52 -1.118 36.789 -0.921 1.00 64.11 C ATOM 805 O ALA A 52 -1.304 37.582 -1.834 1.00 54.04 O ATOM 806 CB ALA A 52 -2.896 37.928 0.539 1.00 73.53 C ATOM 0 H ALA A 52 -1.898 35.180 1.718 1.00 33.21 H new ATOM 0 HA ALA A 52 -2.883 35.911 -0.153 1.00 74.25 H new ATOM 0 HB1 ALA A 52 -3.350 38.320 -0.371 1.00 73.53 H new ATOM 0 HB2 ALA A 52 -3.674 37.730 1.276 1.00 73.53 H new ATOM 0 HB3 ALA A 52 -2.194 38.660 0.939 1.00 73.53 H new ATOM 812 N ASP A 53 -0.115 35.896 -0.881 1.00 64.02 N ATOM 813 CA ASP A 53 1.145 35.930 -1.673 1.00 45.05 C ATOM 814 C ASP A 53 0.974 36.257 -3.187 1.00 44.45 C ATOM 815 O ASP A 53 1.793 36.992 -3.754 1.00 22.31 O ATOM 816 CB ASP A 53 1.843 34.555 -1.485 1.00 55.33 C ATOM 817 CG ASP A 53 3.209 34.424 -2.176 1.00 54.25 C ATOM 818 OD1 ASP A 53 4.116 35.227 -1.870 1.00 11.35 O ATOM 819 OD2 ASP A 53 3.395 33.506 -2.998 1.00 0.31 O ATOM 0 H ASP A 53 -0.155 35.084 -0.265 1.00 64.02 H new ATOM 0 HA ASP A 53 1.746 36.757 -1.295 1.00 45.05 H new ATOM 0 HB2 ASP A 53 1.973 34.372 -0.418 1.00 55.33 H new ATOM 0 HB3 ASP A 53 1.184 33.774 -1.864 1.00 55.33 H new ATOM 824 N ASP A 54 -0.103 35.730 -3.809 1.00 35.44 N ATOM 825 CA ASP A 54 -0.423 35.924 -5.256 1.00 12.12 C ATOM 826 C ASP A 54 -0.512 37.425 -5.687 1.00 11.41 C ATOM 827 O ASP A 54 -0.400 37.746 -6.879 1.00 24.24 O ATOM 828 CB ASP A 54 -1.761 35.202 -5.565 1.00 31.12 C ATOM 829 CG ASP A 54 -1.704 33.696 -5.257 1.00 34.35 C ATOM 830 OD1 ASP A 54 -1.845 33.313 -4.069 1.00 4.12 O ATOM 831 OD2 ASP A 54 -1.514 32.887 -6.191 1.00 64.42 O ATOM 0 H ASP A 54 -0.787 35.150 -3.323 1.00 35.44 H new ATOM 0 HA ASP A 54 0.399 35.499 -5.831 1.00 12.12 H new ATOM 0 HB2 ASP A 54 -2.560 35.659 -4.981 1.00 31.12 H new ATOM 0 HB3 ASP A 54 -2.013 35.345 -6.616 1.00 31.12 H new ATOM 836 N GLN A 55 -0.708 38.319 -4.698 1.00 14.11 N ATOM 837 CA GLN A 55 -0.760 39.796 -4.880 1.00 43.15 C ATOM 838 C GLN A 55 0.495 40.382 -5.588 1.00 64.13 C ATOM 839 O GLN A 55 0.396 41.364 -6.329 1.00 13.42 O ATOM 840 CB GLN A 55 -0.943 40.472 -3.491 1.00 65.32 C ATOM 841 CG GLN A 55 0.220 40.207 -2.497 1.00 14.41 C ATOM 842 CD GLN A 55 -0.045 40.683 -1.069 1.00 5.00 C ATOM 843 OE1 GLN A 55 -0.738 41.666 -0.841 1.00 40.21 O ATOM 844 NE2 GLN A 55 0.493 39.979 -0.094 1.00 0.43 N ATOM 0 H GLN A 55 -0.838 38.036 -3.727 1.00 14.11 H new ATOM 0 HA GLN A 55 -1.606 40.007 -5.534 1.00 43.15 H new ATOM 0 HB2 GLN A 55 -1.046 41.548 -3.634 1.00 65.32 H new ATOM 0 HB3 GLN A 55 -1.874 40.118 -3.047 1.00 65.32 H new ATOM 0 HG2 GLN A 55 0.427 39.137 -2.477 1.00 14.41 H new ATOM 0 HG3 GLN A 55 1.119 40.699 -2.869 1.00 14.41 H new ATOM 0 HE21 GLN A 55 1.067 39.164 -0.310 1.00 0.43 H new ATOM 0 HE22 GLN A 55 0.336 40.249 0.877 1.00 0.43 H new ATOM 853 N THR A 56 1.669 39.765 -5.350 1.00 22.32 N ATOM 854 CA THR A 56 2.976 40.271 -5.849 1.00 72.51 C ATOM 855 C THR A 56 3.393 39.584 -7.184 1.00 12.43 C ATOM 856 O THR A 56 4.434 39.901 -7.767 1.00 51.20 O ATOM 857 CB THR A 56 4.092 40.068 -4.749 1.00 1.14 C ATOM 858 OG1 THR A 56 3.574 40.434 -3.451 1.00 41.15 O ATOM 859 CG2 THR A 56 5.351 40.922 -5.019 1.00 5.42 C ATOM 0 H THR A 56 1.745 38.904 -4.809 1.00 22.32 H new ATOM 0 HA THR A 56 2.864 41.336 -6.054 1.00 72.51 H new ATOM 0 HB THR A 56 4.374 39.015 -4.780 1.00 1.14 H new ATOM 0 HG1 THR A 56 4.270 40.305 -2.773 1.00 41.15 H new ATOM 0 HG21 THR A 56 6.086 40.745 -4.234 1.00 5.42 H new ATOM 0 HG22 THR A 56 5.777 40.647 -5.984 1.00 5.42 H new ATOM 0 HG23 THR A 56 5.079 41.978 -5.030 1.00 5.42 H new ATOM 867 N TYR A 57 2.553 38.652 -7.677 1.00 62.34 N ATOM 868 CA TYR A 57 2.831 37.879 -8.921 1.00 40.13 C ATOM 869 C TYR A 57 1.785 38.187 -10.026 1.00 41.24 C ATOM 870 O TYR A 57 0.627 38.484 -9.712 1.00 4.43 O ATOM 871 CB TYR A 57 2.849 36.362 -8.613 1.00 33.22 C ATOM 872 CG TYR A 57 3.902 35.955 -7.576 1.00 61.51 C ATOM 873 CD1 TYR A 57 5.207 35.614 -7.953 1.00 3.44 C ATOM 874 CD2 TYR A 57 3.593 35.912 -6.217 1.00 54.50 C ATOM 875 CE1 TYR A 57 6.154 35.257 -7.011 1.00 74.01 C ATOM 876 CE2 TYR A 57 4.539 35.561 -5.279 1.00 4.02 C ATOM 877 CZ TYR A 57 5.813 35.224 -5.676 1.00 4.44 C ATOM 878 OH TYR A 57 6.751 34.865 -4.734 1.00 61.52 O ATOM 0 H TYR A 57 1.667 38.409 -7.234 1.00 62.34 H new ATOM 0 HA TYR A 57 3.810 38.182 -9.292 1.00 40.13 H new ATOM 0 HB2 TYR A 57 1.864 36.062 -8.255 1.00 33.22 H new ATOM 0 HB3 TYR A 57 3.032 35.815 -9.538 1.00 33.22 H new ATOM 0 HD1 TYR A 57 5.478 35.630 -8.998 1.00 3.44 H new ATOM 0 HD2 TYR A 57 2.593 36.159 -5.893 1.00 54.50 H new ATOM 0 HE1 TYR A 57 7.158 35.005 -7.320 1.00 74.01 H new ATOM 0 HE2 TYR A 57 4.280 35.550 -4.230 1.00 4.02 H new ATOM 0 HH TYR A 57 6.347 34.894 -3.842 1.00 61.52 H new ATOM 888 N PRO A 58 2.177 38.110 -11.342 1.00 20.03 N ATOM 889 CA PRO A 58 1.230 38.290 -12.479 1.00 72.02 C ATOM 890 C PRO A 58 0.341 37.033 -12.729 1.00 4.24 C ATOM 891 O PRO A 58 0.677 35.936 -12.265 1.00 32.02 O ATOM 892 CB PRO A 58 2.193 38.563 -13.665 1.00 15.22 C ATOM 893 CG PRO A 58 3.422 37.775 -13.338 1.00 20.20 C ATOM 894 CD PRO A 58 3.569 37.857 -11.829 1.00 34.10 C ATOM 0 HA PRO A 58 0.504 39.085 -12.308 1.00 72.02 H new ATOM 0 HB2 PRO A 58 1.757 38.244 -14.612 1.00 15.22 H new ATOM 0 HB3 PRO A 58 2.416 39.626 -13.759 1.00 15.22 H new ATOM 0 HG2 PRO A 58 3.323 36.740 -13.667 1.00 20.20 H new ATOM 0 HG3 PRO A 58 4.297 38.187 -13.840 1.00 20.20 H new ATOM 0 HD2 PRO A 58 3.974 36.933 -11.417 1.00 34.10 H new ATOM 0 HD3 PRO A 58 4.246 38.660 -11.537 1.00 34.10 H new ATOM 902 N PRO A 59 -0.827 37.183 -13.448 1.00 30.34 N ATOM 903 CA PRO A 59 -1.724 36.037 -13.774 1.00 53.12 C ATOM 904 C PRO A 59 -1.004 34.918 -14.570 1.00 52.32 C ATOM 905 O PRO A 59 -0.405 35.195 -15.620 1.00 24.13 O ATOM 906 CB PRO A 59 -2.863 36.689 -14.608 1.00 41.44 C ATOM 907 CG PRO A 59 -2.842 38.138 -14.211 1.00 12.11 C ATOM 908 CD PRO A 59 -1.384 38.468 -13.970 1.00 54.11 C ATOM 0 HA PRO A 59 -2.084 35.534 -12.877 1.00 53.12 H new ATOM 0 HB2 PRO A 59 -2.690 36.568 -15.677 1.00 41.44 H new ATOM 0 HB3 PRO A 59 -3.827 36.232 -14.388 1.00 41.44 H new ATOM 0 HG2 PRO A 59 -3.262 38.767 -14.996 1.00 12.11 H new ATOM 0 HG3 PRO A 59 -3.437 38.308 -13.314 1.00 12.11 H new ATOM 0 HD2 PRO A 59 -0.885 38.781 -14.887 1.00 54.11 H new ATOM 0 HD3 PRO A 59 -1.268 39.279 -13.251 1.00 54.11 H new ATOM 916 N GLU A 60 -1.087 33.660 -14.048 1.00 4.30 N ATOM 917 CA GLU A 60 -0.383 32.453 -14.570 1.00 33.30 C ATOM 918 C GLU A 60 1.093 32.740 -14.988 1.00 24.04 C ATOM 919 O GLU A 60 1.423 32.886 -16.170 1.00 22.11 O ATOM 920 CB GLU A 60 -1.214 31.714 -15.681 1.00 42.22 C ATOM 921 CG GLU A 60 -1.629 32.554 -16.907 1.00 60.03 C ATOM 922 CD GLU A 60 -2.451 31.766 -17.932 1.00 32.35 C ATOM 923 OE1 GLU A 60 -1.858 31.029 -18.746 1.00 70.22 O ATOM 924 OE2 GLU A 60 -3.700 31.871 -17.931 1.00 23.31 O ATOM 0 H GLU A 60 -1.661 33.453 -13.231 1.00 4.30 H new ATOM 0 HA GLU A 60 -0.310 31.755 -13.736 1.00 33.30 H new ATOM 0 HB2 GLU A 60 -0.631 30.863 -16.033 1.00 42.22 H new ATOM 0 HB3 GLU A 60 -2.117 31.313 -15.221 1.00 42.22 H new ATOM 0 HG2 GLU A 60 -2.209 33.414 -16.570 1.00 60.03 H new ATOM 0 HG3 GLU A 60 -0.734 32.943 -17.392 1.00 60.03 H new ATOM 931 N SER A 61 1.974 32.847 -13.969 1.00 40.31 N ATOM 932 CA SER A 61 3.408 33.188 -14.154 1.00 32.41 C ATOM 933 C SER A 61 4.261 31.933 -14.507 1.00 64.41 C ATOM 934 O SER A 61 4.751 31.227 -13.596 1.00 35.22 O ATOM 935 CB SER A 61 3.946 33.922 -12.892 1.00 72.53 C ATOM 936 OG SER A 61 3.761 33.157 -11.707 1.00 13.22 O ATOM 937 OXT SER A 61 4.426 31.643 -15.716 1.00 37.65 O ATOM 0 H SER A 61 1.714 32.700 -12.994 1.00 40.31 H new ATOM 0 HA SER A 61 3.494 33.864 -15.005 1.00 32.41 H new ATOM 0 HB2 SER A 61 5.007 34.136 -13.023 1.00 72.53 H new ATOM 0 HB3 SER A 61 3.438 34.881 -12.787 1.00 72.53 H new ATOM 0 HG SER A 61 4.015 32.226 -11.876 1.00 13.22 H new TER 943 SER A 61