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+ -174:sc= 0 (180deg=-0.0428) USER MOD Single : A 2 THR OG1 : rot -170:sc= -0.957 USER MOD Single : A 23 GLN : amide:sc= -1.03 K(o=-1,f=-0.02) 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 K(o=0,f=-1.5) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 87:sc= 0.517 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 1.95 (180deg=-0.308) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 83:sc= 1.05 USER MOD Single : A 55 GLN : amide:sc= 0.233 K(o=0.23,f=-4.7!) USER MOD Single : A 56 THR OG1 : rot -61:sc= 0.379 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 42:sc= 0.298 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -6.161 -32.882 6.752 1.00 23.23 N ATOM 2 CA PHE A 1 -5.043 -33.761 7.200 1.00 4.53 C ATOM 3 C PHE A 1 -4.336 -34.436 6.001 1.00 53.04 C ATOM 4 O PHE A 1 -3.119 -34.662 6.049 1.00 53.23 O ATOM 5 CB PHE A 1 -5.565 -34.831 8.205 1.00 1.34 C ATOM 6 CG PHE A 1 -4.465 -35.700 8.834 1.00 13.21 C ATOM 7 CD1 PHE A 1 -3.659 -35.197 9.858 1.00 32.32 C ATOM 8 CD2 PHE A 1 -4.231 -37.006 8.394 1.00 14.23 C ATOM 9 CE1 PHE A 1 -2.661 -35.969 10.420 1.00 22.12 C ATOM 10 CE2 PHE A 1 -3.231 -37.776 8.956 1.00 34.41 C ATOM 11 CZ PHE A 1 -2.446 -37.259 9.968 1.00 45.31 C ATOM 0 H1 PHE A 1 -6.547 -32.368 7.569 1.00 23.23 H new ATOM 0 H2 PHE A 1 -5.807 -32.201 6.050 1.00 23.23 H new ATOM 0 H3 PHE A 1 -6.910 -33.463 6.324 1.00 23.23 H new ATOM 0 HA PHE A 1 -4.307 -33.135 7.705 1.00 4.53 H new ATOM 0 HB2 PHE A 1 -6.113 -34.327 9.001 1.00 1.34 H new ATOM 0 HB3 PHE A 1 -6.274 -35.480 7.691 1.00 1.34 H new ATOM 0 HD1 PHE A 1 -3.818 -34.190 10.215 1.00 32.32 H new ATOM 0 HD2 PHE A 1 -4.840 -37.419 7.604 1.00 14.23 H new ATOM 0 HE1 PHE A 1 -2.048 -35.566 11.213 1.00 22.12 H new ATOM 0 HE2 PHE A 1 -3.063 -38.783 8.604 1.00 34.41 H new ATOM 0 HZ PHE A 1 -1.664 -37.862 10.407 1.00 45.31 H new ATOM 23 N THR A 2 -5.103 -34.766 4.930 1.00 72.24 N ATOM 24 CA THR A 2 -4.547 -35.438 3.717 1.00 23.13 C ATOM 25 C THR A 2 -3.412 -34.625 3.076 1.00 55.31 C ATOM 26 O THR A 2 -3.401 -33.394 3.147 1.00 22.51 O ATOM 27 CB THR A 2 -5.627 -35.722 2.613 1.00 50.44 C ATOM 28 OG1 THR A 2 -6.152 -34.493 2.097 1.00 14.31 O ATOM 29 CG2 THR A 2 -6.778 -36.593 3.133 1.00 24.20 C ATOM 0 H THR A 2 -6.105 -34.580 4.878 1.00 72.24 H new ATOM 0 HA THR A 2 -4.164 -36.390 4.085 1.00 23.13 H new ATOM 0 HB THR A 2 -5.126 -36.272 1.817 1.00 50.44 H new ATOM 0 HG1 THR A 2 -6.929 -34.682 1.530 1.00 14.31 H new ATOM 0 HG21 THR A 2 -7.498 -36.761 2.332 1.00 24.20 H new ATOM 0 HG22 THR A 2 -6.384 -37.551 3.473 1.00 24.20 H new ATOM 0 HG23 THR A 2 -7.270 -36.087 3.964 1.00 24.20 H new ATOM 37 N LEU A 3 -2.469 -35.345 2.445 1.00 4.34 N ATOM 38 CA LEU A 3 -1.358 -34.746 1.659 1.00 21.42 C ATOM 39 C LEU A 3 -1.889 -33.837 0.528 1.00 50.13 C ATOM 40 O LEU A 3 -1.188 -32.935 0.055 1.00 45.14 O ATOM 41 CB LEU A 3 -0.487 -35.888 1.080 1.00 53.54 C ATOM 42 CG LEU A 3 0.098 -36.877 2.143 1.00 1.00 C ATOM 43 CD1 LEU A 3 0.781 -38.091 1.476 1.00 1.33 C ATOM 44 CD2 LEU A 3 1.059 -36.145 3.112 1.00 64.10 C ATOM 0 H LEU A 3 -2.449 -36.365 2.461 1.00 4.34 H new ATOM 0 HA LEU A 3 -0.757 -34.118 2.316 1.00 21.42 H new ATOM 0 HB2 LEU A 3 -1.086 -36.456 0.368 1.00 53.54 H new ATOM 0 HB3 LEU A 3 0.339 -35.447 0.522 1.00 53.54 H new ATOM 0 HG LEU A 3 -0.736 -37.262 2.730 1.00 1.00 H new ATOM 0 HD11 LEU A 3 1.175 -38.755 2.245 1.00 1.33 H new ATOM 0 HD12 LEU A 3 0.053 -38.630 0.869 1.00 1.33 H new ATOM 0 HD13 LEU A 3 1.598 -37.746 0.842 1.00 1.33 H new ATOM 0 HD21 LEU A 3 1.451 -36.855 3.840 1.00 64.10 H new ATOM 0 HD22 LEU A 3 1.884 -35.711 2.547 1.00 64.10 H new ATOM 0 HD23 LEU A 3 0.519 -35.353 3.631 1.00 64.10 H new ATOM 56 N ILE A 4 -3.143 -34.104 0.121 1.00 72.33 N ATOM 57 CA ILE A 4 -3.895 -33.267 -0.834 1.00 12.43 C ATOM 58 C ILE A 4 -4.205 -31.885 -0.210 1.00 44.10 C ATOM 59 O ILE A 4 -3.862 -30.857 -0.785 1.00 40.32 O ATOM 60 CB ILE A 4 -5.238 -33.971 -1.277 1.00 53.01 C ATOM 61 CG1 ILE A 4 -4.945 -35.376 -1.906 1.00 33.05 C ATOM 62 CG2 ILE A 4 -6.055 -33.079 -2.253 1.00 20.30 C ATOM 63 CD1 ILE A 4 -4.059 -35.349 -3.148 1.00 21.43 C ATOM 0 H ILE A 4 -3.669 -34.914 0.448 1.00 72.33 H new ATOM 0 HA ILE A 4 -3.273 -33.129 -1.719 1.00 12.43 H new ATOM 0 HB ILE A 4 -5.847 -34.117 -0.385 1.00 53.01 H new ATOM 0 HG12 ILE A 4 -4.471 -36.004 -1.152 1.00 33.05 H new ATOM 0 HG13 ILE A 4 -5.893 -35.848 -2.163 1.00 33.05 H new ATOM 0 HG21 ILE A 4 -6.972 -33.595 -2.537 1.00 20.30 H new ATOM 0 HG22 ILE A 4 -6.305 -32.138 -1.763 1.00 20.30 H new ATOM 0 HG23 ILE A 4 -5.462 -32.877 -3.145 1.00 20.30 H new ATOM 0 HD11 ILE A 4 -3.912 -36.366 -3.512 1.00 21.43 H new ATOM 0 HD12 ILE A 4 -4.538 -34.752 -3.924 1.00 21.43 H new ATOM 0 HD13 ILE A 4 -3.093 -34.910 -2.897 1.00 21.43 H new ATOM 75 N GLU A 5 -4.820 -31.893 0.992 1.00 31.11 N ATOM 76 CA GLU A 5 -5.184 -30.660 1.736 1.00 65.42 C ATOM 77 C GLU A 5 -3.944 -29.844 2.164 1.00 51.30 C ATOM 78 O GLU A 5 -4.019 -28.619 2.261 1.00 45.31 O ATOM 79 CB GLU A 5 -6.045 -31.010 2.984 1.00 1.02 C ATOM 80 CG GLU A 5 -7.417 -31.637 2.671 1.00 23.25 C ATOM 81 CD GLU A 5 -8.297 -30.745 1.783 1.00 34.12 C ATOM 82 OE1 GLU A 5 -8.775 -29.697 2.271 1.00 31.31 O ATOM 83 OE2 GLU A 5 -8.534 -31.093 0.601 1.00 54.44 O ATOM 0 H GLU A 5 -5.080 -32.752 1.477 1.00 31.11 H new ATOM 0 HA GLU A 5 -5.766 -30.039 1.055 1.00 65.42 H new ATOM 0 HB2 GLU A 5 -5.482 -31.699 3.614 1.00 1.02 H new ATOM 0 HB3 GLU A 5 -6.201 -30.102 3.566 1.00 1.02 H new ATOM 0 HG2 GLU A 5 -7.267 -32.597 2.177 1.00 23.25 H new ATOM 0 HG3 GLU A 5 -7.940 -31.838 3.606 1.00 23.25 H new ATOM 90 N LEU A 6 -2.826 -30.542 2.439 1.00 1.20 N ATOM 91 CA LEU A 6 -1.523 -29.904 2.735 1.00 4.35 C ATOM 92 C LEU A 6 -0.975 -29.174 1.497 1.00 30.32 C ATOM 93 O LEU A 6 -0.517 -28.037 1.593 1.00 15.10 O ATOM 94 CB LEU A 6 -0.497 -30.953 3.241 1.00 12.45 C ATOM 95 CG LEU A 6 -0.889 -31.706 4.554 1.00 43.43 C ATOM 96 CD1 LEU A 6 0.160 -32.780 4.924 1.00 0.34 C ATOM 97 CD2 LEU A 6 -1.125 -30.722 5.731 1.00 43.12 C ATOM 0 H LEU A 6 -2.797 -31.561 2.463 1.00 1.20 H new ATOM 0 HA LEU A 6 -1.683 -29.169 3.524 1.00 4.35 H new ATOM 0 HB2 LEU A 6 -0.341 -31.691 2.454 1.00 12.45 H new ATOM 0 HB3 LEU A 6 0.458 -30.452 3.402 1.00 12.45 H new ATOM 0 HG LEU A 6 -1.832 -32.217 4.362 1.00 43.43 H new ATOM 0 HD11 LEU A 6 -0.143 -33.284 5.842 1.00 0.34 H new ATOM 0 HD12 LEU A 6 0.235 -33.509 4.117 1.00 0.34 H new ATOM 0 HD13 LEU A 6 1.129 -32.305 5.075 1.00 0.34 H new ATOM 0 HD21 LEU A 6 -1.395 -31.283 6.626 1.00 43.12 H new ATOM 0 HD22 LEU A 6 -0.213 -30.155 5.920 1.00 43.12 H new ATOM 0 HD23 LEU A 6 -1.932 -30.036 5.475 1.00 43.12 H new ATOM 109 N LEU A 7 -1.043 -29.846 0.342 1.00 24.41 N ATOM 110 CA LEU A 7 -0.658 -29.268 -0.956 1.00 25.31 C ATOM 111 C LEU A 7 -1.492 -28.002 -1.284 1.00 62.55 C ATOM 112 O LEU A 7 -0.942 -26.996 -1.733 1.00 35.14 O ATOM 113 CB LEU A 7 -0.830 -30.343 -2.055 1.00 10.20 C ATOM 114 CG LEU A 7 -0.364 -29.959 -3.495 1.00 31.32 C ATOM 115 CD1 LEU A 7 1.127 -29.544 -3.515 1.00 3.03 C ATOM 116 CD2 LEU A 7 -0.641 -31.115 -4.483 1.00 72.11 C ATOM 0 H LEU A 7 -1.368 -30.811 0.278 1.00 24.41 H new ATOM 0 HA LEU A 7 0.386 -28.957 -0.910 1.00 25.31 H new ATOM 0 HB2 LEU A 7 -0.283 -31.234 -1.747 1.00 10.20 H new ATOM 0 HB3 LEU A 7 -1.884 -30.616 -2.101 1.00 10.20 H new ATOM 0 HG LEU A 7 -0.943 -29.094 -3.817 1.00 31.32 H new ATOM 0 HD11 LEU A 7 1.418 -29.283 -4.532 1.00 3.03 H new ATOM 0 HD12 LEU A 7 1.274 -28.683 -2.863 1.00 3.03 H new ATOM 0 HD13 LEU A 7 1.740 -30.374 -3.163 1.00 3.03 H new ATOM 0 HD21 LEU A 7 -0.309 -30.828 -5.481 1.00 72.11 H new ATOM 0 HD22 LEU A 7 -0.100 -32.005 -4.163 1.00 72.11 H new ATOM 0 HD23 LEU A 7 -1.710 -31.328 -4.503 1.00 72.11 H new ATOM 128 N ILE A 8 -2.817 -28.078 -1.026 1.00 34.53 N ATOM 129 CA ILE A 8 -3.765 -26.988 -1.260 1.00 42.10 C ATOM 130 C ILE A 8 -3.545 -25.784 -0.313 1.00 31.43 C ATOM 131 O ILE A 8 -3.528 -24.650 -0.783 1.00 33.22 O ATOM 132 CB ILE A 8 -5.235 -27.540 -1.130 1.00 23.45 C ATOM 133 CG1 ILE A 8 -5.525 -28.593 -2.253 1.00 21.01 C ATOM 134 CG2 ILE A 8 -6.287 -26.410 -1.148 1.00 71.34 C ATOM 135 CD1 ILE A 8 -6.815 -29.365 -2.068 1.00 30.31 C ATOM 0 H ILE A 8 -3.255 -28.916 -0.643 1.00 34.53 H new ATOM 0 HA ILE A 8 -3.596 -26.613 -2.270 1.00 42.10 H new ATOM 0 HB ILE A 8 -5.315 -28.030 -0.160 1.00 23.45 H new ATOM 0 HG12 ILE A 8 -5.557 -28.081 -3.215 1.00 21.01 H new ATOM 0 HG13 ILE A 8 -4.696 -29.299 -2.295 1.00 21.01 H new ATOM 0 HG21 ILE A 8 -7.284 -26.840 -1.056 1.00 71.34 H new ATOM 0 HG22 ILE A 8 -6.106 -25.731 -0.315 1.00 71.34 H new ATOM 0 HG23 ILE A 8 -6.214 -25.860 -2.086 1.00 71.34 H new ATOM 0 HD11 ILE A 8 -6.937 -30.071 -2.889 1.00 30.31 H new ATOM 0 HD12 ILE A 8 -6.782 -29.908 -1.124 1.00 30.31 H new ATOM 0 HD13 ILE A 8 -7.656 -28.671 -2.058 1.00 30.31 H new ATOM 147 N VAL A 9 -3.389 -26.025 1.013 1.00 30.43 N ATOM 148 CA VAL A 9 -3.221 -24.946 2.004 1.00 12.41 C ATOM 149 C VAL A 9 -1.907 -24.166 1.774 1.00 35.32 C ATOM 150 O VAL A 9 -1.886 -22.940 1.863 1.00 10.32 O ATOM 151 CB VAL A 9 -3.309 -25.492 3.486 1.00 13.30 C ATOM 152 CG1 VAL A 9 -2.110 -26.388 3.886 1.00 10.22 C ATOM 153 CG2 VAL A 9 -3.513 -24.336 4.481 1.00 12.11 C ATOM 0 H VAL A 9 -3.377 -26.962 1.416 1.00 30.43 H new ATOM 0 HA VAL A 9 -4.048 -24.251 1.863 1.00 12.41 H new ATOM 0 HB VAL A 9 -4.183 -26.142 3.526 1.00 13.30 H new ATOM 0 HG11 VAL A 9 -2.236 -26.727 4.914 1.00 10.22 H new ATOM 0 HG12 VAL A 9 -2.064 -27.251 3.222 1.00 10.22 H new ATOM 0 HG13 VAL A 9 -1.185 -25.817 3.803 1.00 10.22 H new ATOM 0 HG21 VAL A 9 -3.571 -24.734 5.494 1.00 12.11 H new ATOM 0 HG22 VAL A 9 -2.675 -23.643 4.411 1.00 12.11 H new ATOM 0 HG23 VAL A 9 -4.438 -23.811 4.244 1.00 12.11 H new ATOM 163 N VAL A 10 -0.830 -24.893 1.440 1.00 42.32 N ATOM 164 CA VAL A 10 0.455 -24.295 1.061 1.00 61.15 C ATOM 165 C VAL A 10 0.337 -23.526 -0.285 1.00 34.15 C ATOM 166 O VAL A 10 0.901 -22.429 -0.429 1.00 15.32 O ATOM 167 CB VAL A 10 1.570 -25.409 0.989 1.00 73.11 C ATOM 168 CG1 VAL A 10 2.899 -24.874 0.425 1.00 24.53 C ATOM 169 CG2 VAL A 10 1.788 -26.057 2.383 1.00 72.35 C ATOM 0 H VAL A 10 -0.828 -25.913 1.426 1.00 42.32 H new ATOM 0 HA VAL A 10 0.741 -23.572 1.824 1.00 61.15 H new ATOM 0 HB VAL A 10 1.214 -26.172 0.297 1.00 73.11 H new ATOM 0 HG11 VAL A 10 3.633 -25.680 0.396 1.00 24.53 H new ATOM 0 HG12 VAL A 10 2.739 -24.493 -0.584 1.00 24.53 H new ATOM 0 HG13 VAL A 10 3.267 -24.070 1.062 1.00 24.53 H new ATOM 0 HG21 VAL A 10 2.561 -26.822 2.312 1.00 72.35 H new ATOM 0 HG22 VAL A 10 2.099 -25.293 3.095 1.00 72.35 H new ATOM 0 HG23 VAL A 10 0.857 -26.512 2.722 1.00 72.35 H new ATOM 179 N ALA A 11 -0.432 -24.088 -1.249 1.00 5.45 N ATOM 180 CA ALA A 11 -0.633 -23.471 -2.581 1.00 74.20 C ATOM 181 C ALA A 11 -1.389 -22.126 -2.484 1.00 15.31 C ATOM 182 O ALA A 11 -0.953 -21.123 -3.071 1.00 53.24 O ATOM 183 CB ALA A 11 -1.373 -24.443 -3.516 1.00 62.14 C ATOM 0 H ALA A 11 -0.925 -24.972 -1.127 1.00 5.45 H new ATOM 0 HA ALA A 11 0.352 -23.261 -2.999 1.00 74.20 H new ATOM 0 HB1 ALA A 11 -1.513 -23.975 -4.490 1.00 62.14 H new ATOM 0 HB2 ALA A 11 -0.786 -25.354 -3.632 1.00 62.14 H new ATOM 0 HB3 ALA A 11 -2.345 -24.690 -3.089 1.00 62.14 H new ATOM 189 N ILE A 12 -2.504 -22.105 -1.715 1.00 71.22 N ATOM 190 CA ILE A 12 -3.352 -20.912 -1.580 1.00 72.32 C ATOM 191 C ILE A 12 -2.632 -19.795 -0.798 1.00 3.21 C ATOM 192 O ILE A 12 -2.696 -18.649 -1.209 1.00 11.23 O ATOM 193 CB ILE A 12 -4.795 -21.247 -1.003 1.00 1.21 C ATOM 194 CG1 ILE A 12 -4.778 -21.896 0.437 1.00 32.43 C ATOM 195 CG2 ILE A 12 -5.557 -22.149 -2.012 1.00 43.43 C ATOM 196 CD1 ILE A 12 -4.792 -20.918 1.606 1.00 4.22 C ATOM 0 H ILE A 12 -2.832 -22.909 -1.179 1.00 71.22 H new ATOM 0 HA ILE A 12 -3.528 -20.527 -2.585 1.00 72.32 H new ATOM 0 HB ILE A 12 -5.315 -20.297 -0.880 1.00 1.21 H new ATOM 0 HG12 ILE A 12 -5.642 -22.554 0.528 1.00 32.43 H new ATOM 0 HG13 ILE A 12 -3.890 -22.522 0.522 1.00 32.43 H new ATOM 0 HG21 ILE A 12 -6.547 -22.380 -1.618 1.00 43.43 H new ATOM 0 HG22 ILE A 12 -5.658 -21.626 -2.963 1.00 43.43 H new ATOM 0 HG23 ILE A 12 -5.002 -23.075 -2.164 1.00 43.43 H new ATOM 0 HD11 ILE A 12 -4.779 -21.472 2.544 1.00 4.22 H new ATOM 0 HD12 ILE A 12 -3.914 -20.274 1.552 1.00 4.22 H new ATOM 0 HD13 ILE A 12 -5.693 -20.307 1.558 1.00 4.22 H new ATOM 208 N ILE A 13 -1.884 -20.156 0.282 1.00 45.31 N ATOM 209 CA ILE A 13 -1.025 -19.211 1.038 1.00 1.23 C ATOM 210 C ILE A 13 0.074 -18.609 0.125 1.00 33.40 C ATOM 211 O ILE A 13 0.454 -17.434 0.277 1.00 73.20 O ATOM 212 CB ILE A 13 -0.395 -19.942 2.298 1.00 71.35 C ATOM 213 CG1 ILE A 13 -1.500 -20.217 3.375 1.00 73.43 C ATOM 214 CG2 ILE A 13 0.795 -19.165 2.913 1.00 75.32 C ATOM 215 CD1 ILE A 13 -1.026 -20.965 4.611 1.00 25.14 C ATOM 0 H ILE A 13 -1.862 -21.108 0.649 1.00 45.31 H new ATOM 0 HA ILE A 13 -1.640 -18.384 1.393 1.00 1.23 H new ATOM 0 HB ILE A 13 0.008 -20.892 1.947 1.00 71.35 H new ATOM 0 HG12 ILE A 13 -1.926 -19.263 3.688 1.00 73.43 H new ATOM 0 HG13 ILE A 13 -2.304 -20.788 2.910 1.00 73.43 H new ATOM 0 HG21 ILE A 13 1.184 -19.714 3.771 1.00 75.32 H new ATOM 0 HG22 ILE A 13 1.582 -19.054 2.167 1.00 75.32 H new ATOM 0 HG23 ILE A 13 0.459 -18.180 3.235 1.00 75.32 H new ATOM 0 HD11 ILE A 13 -1.863 -21.106 5.295 1.00 25.14 H new ATOM 0 HD12 ILE A 13 -0.629 -21.937 4.318 1.00 25.14 H new ATOM 0 HD13 ILE A 13 -0.245 -20.389 5.108 1.00 25.14 H new ATOM 227 N GLY A 14 0.548 -19.424 -0.844 1.00 60.43 N ATOM 228 CA GLY A 14 1.478 -18.963 -1.879 1.00 74.43 C ATOM 229 C GLY A 14 0.897 -17.825 -2.727 1.00 23.32 C ATOM 230 O GLY A 14 1.573 -16.820 -2.982 1.00 21.41 O ATOM 0 H GLY A 14 0.295 -20.409 -0.924 1.00 60.43 H new ATOM 0 HA2 GLY A 14 2.402 -18.626 -1.409 1.00 74.43 H new ATOM 0 HA3 GLY A 14 1.738 -19.799 -2.528 1.00 74.43 H new ATOM 234 N ILE A 15 -0.390 -17.973 -3.117 1.00 23.41 N ATOM 235 CA ILE A 15 -1.122 -16.967 -3.907 1.00 22.22 C ATOM 236 C ILE A 15 -1.419 -15.710 -3.065 1.00 31.24 C ATOM 237 O ILE A 15 -1.215 -14.599 -3.543 1.00 74.02 O ATOM 238 CB ILE A 15 -2.464 -17.586 -4.450 1.00 34.12 C ATOM 239 CG1 ILE A 15 -2.167 -18.901 -5.261 1.00 31.22 C ATOM 240 CG2 ILE A 15 -3.277 -16.565 -5.305 1.00 41.24 C ATOM 241 CD1 ILE A 15 -3.310 -19.891 -5.273 1.00 44.21 C ATOM 0 H ILE A 15 -0.948 -18.796 -2.890 1.00 23.41 H new ATOM 0 HA ILE A 15 -0.496 -16.670 -4.748 1.00 22.22 H new ATOM 0 HB ILE A 15 -3.086 -17.839 -3.591 1.00 34.12 H new ATOM 0 HG12 ILE A 15 -1.922 -18.633 -6.289 1.00 31.22 H new ATOM 0 HG13 ILE A 15 -1.286 -19.384 -4.838 1.00 31.22 H new ATOM 0 HG21 ILE A 15 -4.194 -17.036 -5.658 1.00 41.24 H new ATOM 0 HG22 ILE A 15 -3.526 -15.697 -4.695 1.00 41.24 H new ATOM 0 HG23 ILE A 15 -2.679 -16.249 -6.160 1.00 41.24 H new ATOM 0 HD11 ILE A 15 -3.025 -20.769 -5.853 1.00 44.21 H new ATOM 0 HD12 ILE A 15 -3.543 -20.191 -4.251 1.00 44.21 H new ATOM 0 HD13 ILE A 15 -4.188 -19.428 -5.724 1.00 44.21 H new ATOM 253 N LEU A 16 -1.866 -15.914 -1.802 1.00 15.04 N ATOM 254 CA LEU A 16 -2.237 -14.813 -0.881 1.00 11.52 C ATOM 255 C LEU A 16 -1.060 -13.847 -0.670 1.00 51.52 C ATOM 256 O LEU A 16 -1.246 -12.640 -0.664 1.00 33.02 O ATOM 257 CB LEU A 16 -2.705 -15.339 0.513 1.00 10.44 C ATOM 258 CG LEU A 16 -3.850 -16.405 0.539 1.00 23.11 C ATOM 259 CD1 LEU A 16 -4.391 -16.647 1.971 1.00 42.14 C ATOM 260 CD2 LEU A 16 -4.979 -16.068 -0.455 1.00 64.44 C ATOM 0 H LEU A 16 -1.979 -16.842 -1.395 1.00 15.04 H new ATOM 0 HA LEU A 16 -3.068 -14.290 -1.355 1.00 11.52 H new ATOM 0 HB2 LEU A 16 -1.839 -15.764 1.019 1.00 10.44 H new ATOM 0 HB3 LEU A 16 -3.030 -14.482 1.103 1.00 10.44 H new ATOM 0 HG LEU A 16 -3.408 -17.345 0.207 1.00 23.11 H new ATOM 0 HD11 LEU A 16 -5.184 -17.394 1.939 1.00 42.14 H new ATOM 0 HD12 LEU A 16 -3.583 -17.003 2.610 1.00 42.14 H new ATOM 0 HD13 LEU A 16 -4.787 -15.714 2.373 1.00 42.14 H new ATOM 0 HD21 LEU A 16 -5.751 -16.835 -0.402 1.00 64.44 H new ATOM 0 HD22 LEU A 16 -5.411 -15.100 -0.201 1.00 64.44 H new ATOM 0 HD23 LEU A 16 -4.574 -16.030 -1.466 1.00 64.44 H new ATOM 272 N ALA A 17 0.148 -14.409 -0.517 1.00 31.21 N ATOM 273 CA ALA A 17 1.380 -13.620 -0.336 1.00 34.01 C ATOM 274 C ALA A 17 1.767 -12.899 -1.646 1.00 60.33 C ATOM 275 O ALA A 17 1.955 -11.679 -1.674 1.00 52.53 O ATOM 276 CB ALA A 17 2.521 -14.524 0.148 1.00 3.52 C ATOM 0 H ALA A 17 0.301 -15.418 -0.515 1.00 31.21 H new ATOM 0 HA ALA A 17 1.196 -12.859 0.422 1.00 34.01 H new ATOM 0 HB1 ALA A 17 3.426 -13.930 0.278 1.00 3.52 H new ATOM 0 HB2 ALA A 17 2.246 -14.979 1.099 1.00 3.52 H new ATOM 0 HB3 ALA A 17 2.703 -15.306 -0.589 1.00 3.52 H new ATOM 282 N ALA A 18 1.821 -13.671 -2.734 1.00 73.22 N ATOM 283 CA ALA A 18 2.228 -13.182 -4.068 1.00 71.41 C ATOM 284 C ALA A 18 1.301 -12.071 -4.625 1.00 11.03 C ATOM 285 O ALA A 18 1.712 -11.325 -5.521 1.00 41.22 O ATOM 286 CB ALA A 18 2.326 -14.354 -5.059 1.00 23.20 C ATOM 0 H ALA A 18 1.583 -14.663 -2.721 1.00 73.22 H new ATOM 0 HA ALA A 18 3.210 -12.725 -3.945 1.00 71.41 H new ATOM 0 HB1 ALA A 18 2.627 -13.979 -6.037 1.00 23.20 H new ATOM 0 HB2 ALA A 18 3.065 -15.071 -4.702 1.00 23.20 H new ATOM 0 HB3 ALA A 18 1.356 -14.844 -5.141 1.00 23.20 H new ATOM 292 N ILE A 19 0.049 -11.978 -4.123 1.00 44.32 N ATOM 293 CA ILE A 19 -0.862 -10.860 -4.459 1.00 51.13 C ATOM 294 C ILE A 19 -0.787 -9.727 -3.415 1.00 3.12 C ATOM 295 O ILE A 19 -0.778 -8.561 -3.785 1.00 4.23 O ATOM 296 CB ILE A 19 -2.351 -11.330 -4.723 1.00 51.04 C ATOM 297 CG1 ILE A 19 -3.028 -12.024 -3.487 1.00 71.34 C ATOM 298 CG2 ILE A 19 -2.411 -12.241 -5.975 1.00 72.01 C ATOM 299 CD1 ILE A 19 -3.718 -11.072 -2.534 1.00 23.31 C ATOM 0 H ILE A 19 -0.354 -12.663 -3.484 1.00 44.32 H new ATOM 0 HA ILE A 19 -0.507 -10.453 -5.406 1.00 51.13 H new ATOM 0 HB ILE A 19 -2.932 -10.425 -4.903 1.00 51.04 H new ATOM 0 HG12 ILE A 19 -3.757 -12.749 -3.848 1.00 71.34 H new ATOM 0 HG13 ILE A 19 -2.269 -12.581 -2.938 1.00 71.34 H new ATOM 0 HG21 ILE A 19 -3.440 -12.557 -6.146 1.00 72.01 H new ATOM 0 HG22 ILE A 19 -2.052 -11.689 -6.844 1.00 72.01 H new ATOM 0 HG23 ILE A 19 -1.783 -13.118 -5.817 1.00 72.01 H new ATOM 0 HD11 ILE A 19 -4.157 -11.636 -1.711 1.00 23.31 H new ATOM 0 HD12 ILE A 19 -2.991 -10.361 -2.140 1.00 23.31 H new ATOM 0 HD13 ILE A 19 -4.503 -10.532 -3.064 1.00 23.31 H new ATOM 311 N ALA A 20 -0.676 -10.081 -2.121 1.00 3.54 N ATOM 312 CA ALA A 20 -0.780 -9.107 -1.005 1.00 62.11 C ATOM 313 C ALA A 20 0.414 -8.157 -0.948 1.00 31.11 C ATOM 314 O ALA A 20 0.220 -6.948 -0.923 1.00 25.42 O ATOM 315 CB ALA A 20 -0.963 -9.810 0.348 1.00 62.51 C ATOM 0 H ALA A 20 -0.513 -11.040 -1.816 1.00 3.54 H new ATOM 0 HA ALA A 20 -1.669 -8.510 -1.207 1.00 62.11 H new ATOM 0 HB1 ALA A 20 -1.035 -9.064 1.139 1.00 62.51 H new ATOM 0 HB2 ALA A 20 -1.875 -10.406 0.328 1.00 62.51 H new ATOM 0 HB3 ALA A 20 -0.109 -10.460 0.539 1.00 62.51 H new ATOM 321 N ILE A 21 1.635 -8.720 -0.929 1.00 71.15 N ATOM 322 CA ILE A 21 2.881 -7.924 -0.803 1.00 24.15 C ATOM 323 C ILE A 21 2.985 -6.806 -1.897 1.00 64.00 C ATOM 324 O ILE A 21 3.129 -5.652 -1.528 1.00 21.43 O ATOM 325 CB ILE A 21 4.196 -8.825 -0.748 1.00 35.04 C ATOM 326 CG1 ILE A 21 4.342 -9.568 0.630 1.00 73.12 C ATOM 327 CG2 ILE A 21 5.466 -7.995 -1.064 1.00 73.01 C ATOM 328 CD1 ILE A 21 3.369 -10.707 0.874 1.00 32.45 C ATOM 0 H ILE A 21 1.791 -9.725 -0.999 1.00 71.15 H new ATOM 0 HA ILE A 21 2.815 -7.423 0.163 1.00 24.15 H new ATOM 0 HB ILE A 21 4.089 -9.586 -1.521 1.00 35.04 H new ATOM 0 HG12 ILE A 21 5.356 -9.960 0.704 1.00 73.12 H new ATOM 0 HG13 ILE A 21 4.224 -8.837 1.430 1.00 73.12 H new ATOM 0 HG21 ILE A 21 6.343 -8.640 -1.018 1.00 73.01 H new ATOM 0 HG22 ILE A 21 5.382 -7.568 -2.063 1.00 73.01 H new ATOM 0 HG23 ILE A 21 5.567 -7.192 -0.334 1.00 73.01 H new ATOM 0 HD11 ILE A 21 3.561 -11.146 1.853 1.00 32.45 H new ATOM 0 HD12 ILE A 21 2.348 -10.327 0.841 1.00 32.45 H new ATOM 0 HD13 ILE A 21 3.498 -11.467 0.104 1.00 32.45 H new ATOM 340 N PRO A 22 2.891 -7.102 -3.243 1.00 70.30 N ATOM 341 CA PRO A 22 2.919 -6.033 -4.295 1.00 22.20 C ATOM 342 C PRO A 22 1.725 -5.043 -4.209 1.00 54.14 C ATOM 343 O PRO A 22 1.899 -3.835 -4.369 1.00 60.34 O ATOM 344 CB PRO A 22 2.843 -6.821 -5.621 1.00 55.24 C ATOM 345 CG PRO A 22 2.264 -8.152 -5.243 1.00 74.15 C ATOM 346 CD PRO A 22 2.790 -8.451 -3.863 1.00 33.30 C ATOM 0 HA PRO A 22 3.808 -5.411 -4.187 1.00 22.20 H new ATOM 0 HB2 PRO A 22 2.215 -6.309 -6.350 1.00 55.24 H new ATOM 0 HB3 PRO A 22 3.829 -6.932 -6.072 1.00 55.24 H new ATOM 0 HG2 PRO A 22 1.174 -8.120 -5.248 1.00 74.15 H new ATOM 0 HG3 PRO A 22 2.563 -8.924 -5.952 1.00 74.15 H new ATOM 0 HD2 PRO A 22 2.115 -9.101 -3.306 1.00 33.30 H new ATOM 0 HD3 PRO A 22 3.758 -8.952 -3.900 1.00 33.30 H new ATOM 354 N GLN A 23 0.524 -5.594 -3.977 1.00 75.51 N ATOM 355 CA GLN A 23 -0.752 -4.832 -3.959 1.00 12.51 C ATOM 356 C GLN A 23 -0.752 -3.785 -2.835 1.00 74.24 C ATOM 357 O GLN A 23 -1.156 -2.634 -3.023 1.00 22.44 O ATOM 358 CB GLN A 23 -1.934 -5.815 -3.754 1.00 33.44 C ATOM 359 CG GLN A 23 -3.338 -5.174 -3.666 1.00 5.24 C ATOM 360 CD GLN A 23 -4.423 -6.142 -3.181 1.00 30.44 C ATOM 361 OE1 GLN A 23 -5.570 -6.064 -3.603 1.00 43.40 O ATOM 362 NE2 GLN A 23 -4.083 -7.014 -2.245 1.00 15.24 N ATOM 0 H GLN A 23 0.401 -6.590 -3.794 1.00 75.51 H new ATOM 0 HA GLN A 23 -0.860 -4.312 -4.911 1.00 12.51 H new ATOM 0 HB2 GLN A 23 -1.933 -6.530 -4.577 1.00 33.44 H new ATOM 0 HB3 GLN A 23 -1.756 -6.381 -2.840 1.00 33.44 H new ATOM 0 HG2 GLN A 23 -3.297 -4.319 -2.991 1.00 5.24 H new ATOM 0 HG3 GLN A 23 -3.616 -4.791 -4.648 1.00 5.24 H new ATOM 0 HE21 GLN A 23 -3.119 -7.056 -1.913 1.00 15.24 H new ATOM 0 HE22 GLN A 23 -4.785 -7.644 -1.856 1.00 15.24 H new ATOM 371 N PHE A 24 -0.248 -4.219 -1.684 1.00 4.24 N ATOM 372 CA PHE A 24 -0.251 -3.419 -0.437 1.00 72.33 C ATOM 373 C PHE A 24 1.029 -2.581 -0.314 1.00 15.44 C ATOM 374 O PHE A 24 1.017 -1.553 0.359 1.00 3.31 O ATOM 375 CB PHE A 24 -0.442 -4.313 0.815 1.00 65.42 C ATOM 376 CG PHE A 24 -1.874 -4.832 1.022 1.00 0.53 C ATOM 377 CD1 PHE A 24 -2.923 -3.939 1.266 1.00 61.31 C ATOM 378 CD2 PHE A 24 -2.176 -6.197 0.986 1.00 0.35 C ATOM 379 CE1 PHE A 24 -4.215 -4.396 1.468 1.00 30.51 C ATOM 380 CE2 PHE A 24 -3.466 -6.650 1.186 1.00 22.11 C ATOM 381 CZ PHE A 24 -4.488 -5.750 1.425 1.00 60.13 C ATOM 0 H PHE A 24 0.179 -5.139 -1.577 1.00 4.24 H new ATOM 0 HA PHE A 24 -1.101 -2.739 -0.492 1.00 72.33 H new ATOM 0 HB2 PHE A 24 0.232 -5.166 0.741 1.00 65.42 H new ATOM 0 HB3 PHE A 24 -0.144 -3.747 1.698 1.00 65.42 H new ATOM 0 HD1 PHE A 24 -2.723 -2.878 1.297 1.00 61.31 H new ATOM 0 HD2 PHE A 24 -1.387 -6.910 0.798 1.00 0.35 H new ATOM 0 HE1 PHE A 24 -5.011 -3.692 1.660 1.00 30.51 H new ATOM 0 HE2 PHE A 24 -3.676 -7.709 1.156 1.00 22.11 H new ATOM 0 HZ PHE A 24 -5.497 -6.104 1.578 1.00 60.13 H new ATOM 391 N SER A 25 2.135 -3.021 -0.950 1.00 3.32 N ATOM 392 CA SER A 25 3.351 -2.187 -1.075 1.00 50.34 C ATOM 393 C SER A 25 3.013 -0.953 -1.908 1.00 51.30 C ATOM 394 O SER A 25 3.068 0.157 -1.410 1.00 32.55 O ATOM 395 CB SER A 25 4.532 -2.954 -1.716 1.00 52.45 C ATOM 396 OG SER A 25 5.683 -2.128 -1.866 1.00 4.15 O ATOM 0 H SER A 25 2.212 -3.942 -1.382 1.00 3.32 H new ATOM 0 HA SER A 25 3.671 -1.900 -0.073 1.00 50.34 H new ATOM 0 HB2 SER A 25 4.782 -3.817 -1.099 1.00 52.45 H new ATOM 0 HB3 SER A 25 4.230 -3.336 -2.691 1.00 52.45 H new ATOM 0 HG SER A 25 6.408 -2.648 -2.272 1.00 4.15 H new ATOM 402 N ALA A 26 2.562 -1.189 -3.154 1.00 21.43 N ATOM 403 CA ALA A 26 2.128 -0.127 -4.088 1.00 65.02 C ATOM 404 C ALA A 26 1.016 0.775 -3.502 1.00 3.11 C ATOM 405 O ALA A 26 0.974 1.959 -3.807 1.00 4.35 O ATOM 406 CB ALA A 26 1.654 -0.749 -5.412 1.00 72.13 C ATOM 0 H ALA A 26 2.487 -2.128 -3.546 1.00 21.43 H new ATOM 0 HA ALA A 26 2.995 0.510 -4.264 1.00 65.02 H new ATOM 0 HB1 ALA A 26 1.337 0.041 -6.092 1.00 72.13 H new ATOM 0 HB2 ALA A 26 2.472 -1.310 -5.864 1.00 72.13 H new ATOM 0 HB3 ALA A 26 0.817 -1.420 -5.220 1.00 72.13 H new ATOM 412 N TYR A 27 0.133 0.199 -2.653 1.00 41.34 N ATOM 413 CA TYR A 27 -0.990 0.940 -2.022 1.00 52.21 C ATOM 414 C TYR A 27 -0.494 1.906 -0.918 1.00 33.22 C ATOM 415 O TYR A 27 -0.861 3.081 -0.885 1.00 32.35 O ATOM 416 CB TYR A 27 -2.005 -0.059 -1.414 1.00 54.04 C ATOM 417 CG TYR A 27 -3.282 0.580 -0.829 1.00 3.23 C ATOM 418 CD1 TYR A 27 -4.013 1.537 -1.554 1.00 31.11 C ATOM 419 CD2 TYR A 27 -3.758 0.236 0.442 1.00 53.15 C ATOM 420 CE1 TYR A 27 -5.156 2.114 -1.031 1.00 50.30 C ATOM 421 CE2 TYR A 27 -4.905 0.815 0.961 1.00 32.14 C ATOM 422 CZ TYR A 27 -5.597 1.754 0.223 1.00 62.43 C ATOM 423 OH TYR A 27 -6.737 2.337 0.739 1.00 11.25 O ATOM 0 H TYR A 27 0.176 -0.785 -2.386 1.00 41.34 H new ATOM 0 HA TYR A 27 -1.470 1.534 -2.800 1.00 52.21 H new ATOM 0 HB2 TYR A 27 -2.295 -0.773 -2.185 1.00 54.04 H new ATOM 0 HB3 TYR A 27 -1.507 -0.625 -0.627 1.00 54.04 H new ATOM 0 HD1 TYR A 27 -3.676 1.827 -2.538 1.00 31.11 H new ATOM 0 HD2 TYR A 27 -3.221 -0.494 1.029 1.00 53.15 H new ATOM 0 HE1 TYR A 27 -5.703 2.847 -1.606 1.00 50.30 H new ATOM 0 HE2 TYR A 27 -5.257 0.532 1.942 1.00 32.14 H new ATOM 0 HH TYR A 27 -6.914 1.975 1.632 1.00 11.25 H new ATOM 433 N ARG A 28 0.338 1.379 -0.014 1.00 62.15 N ATOM 434 CA ARG A 28 0.862 2.135 1.146 1.00 51.21 C ATOM 435 C ARG A 28 2.066 3.023 0.751 1.00 22.15 C ATOM 436 O ARG A 28 2.423 3.954 1.483 1.00 41.32 O ATOM 437 CB ARG A 28 1.220 1.138 2.285 1.00 61.42 C ATOM 438 CG ARG A 28 0.010 0.294 2.766 1.00 52.21 C ATOM 439 CD ARG A 28 0.390 -0.861 3.718 1.00 24.12 C ATOM 440 NE ARG A 28 0.919 -0.397 5.009 1.00 24.51 N ATOM 441 CZ ARG A 28 1.210 -1.176 6.035 1.00 62.54 C ATOM 442 NH1 ARG A 28 1.051 -2.464 5.977 1.00 41.10 N ATOM 443 NH2 ARG A 28 1.648 -0.659 7.125 1.00 41.12 N ATOM 0 H ARG A 28 0.672 0.416 -0.059 1.00 62.15 H new ATOM 0 HA ARG A 28 0.091 2.816 1.507 1.00 51.21 H new ATOM 0 HB2 ARG A 28 2.006 0.468 1.938 1.00 61.42 H new ATOM 0 HB3 ARG A 28 1.625 1.694 3.131 1.00 61.42 H new ATOM 0 HG2 ARG A 28 -0.699 0.949 3.271 1.00 52.21 H new ATOM 0 HG3 ARG A 28 -0.501 -0.119 1.896 1.00 52.21 H new ATOM 0 HD2 ARG A 28 -0.488 -1.482 3.895 1.00 24.12 H new ATOM 0 HD3 ARG A 28 1.134 -1.493 3.233 1.00 24.12 H new ATOM 0 HE ARG A 28 1.073 0.605 5.121 1.00 24.51 H new ATOM 0 HH11 ARG A 28 0.694 -2.896 5.125 1.00 41.10 H new ATOM 0 HH12 ARG A 28 1.283 -3.043 6.784 1.00 41.10 H new ATOM 0 HH21 ARG A 28 1.770 0.351 7.197 1.00 41.12 H new ATOM 0 HH22 ARG A 28 1.874 -1.258 7.919 1.00 41.12 H new ATOM 457 N VAL A 29 2.667 2.748 -0.427 1.00 74.42 N ATOM 458 CA VAL A 29 3.772 3.583 -0.981 1.00 15.52 C ATOM 459 C VAL A 29 3.213 4.711 -1.873 1.00 23.11 C ATOM 460 O VAL A 29 3.777 5.803 -1.916 1.00 12.22 O ATOM 461 CB VAL A 29 4.863 2.730 -1.747 1.00 63.23 C ATOM 462 CG1 VAL A 29 5.900 3.616 -2.487 1.00 22.12 C ATOM 463 CG2 VAL A 29 5.586 1.775 -0.766 1.00 53.31 C ATOM 0 H VAL A 29 2.411 1.957 -1.017 1.00 74.42 H new ATOM 0 HA VAL A 29 4.281 4.036 -0.130 1.00 15.52 H new ATOM 0 HB VAL A 29 4.337 2.148 -2.503 1.00 63.23 H new ATOM 0 HG11 VAL A 29 6.625 2.980 -2.995 1.00 22.12 H new ATOM 0 HG12 VAL A 29 5.388 4.240 -3.219 1.00 22.12 H new ATOM 0 HG13 VAL A 29 6.416 4.251 -1.767 1.00 22.12 H new ATOM 0 HG21 VAL A 29 6.333 1.195 -1.307 1.00 53.31 H new ATOM 0 HG22 VAL A 29 6.075 2.357 0.015 1.00 53.31 H new ATOM 0 HG23 VAL A 29 4.860 1.099 -0.314 1.00 53.31 H new ATOM 473 N LYS A 30 2.086 4.460 -2.565 1.00 65.03 N ATOM 474 CA LYS A 30 1.353 5.542 -3.277 1.00 31.24 C ATOM 475 C LYS A 30 0.611 6.420 -2.245 1.00 72.43 C ATOM 476 O LYS A 30 0.283 7.563 -2.531 1.00 30.02 O ATOM 477 CB LYS A 30 0.346 4.996 -4.334 1.00 11.44 C ATOM 478 CG LYS A 30 -0.989 4.490 -3.748 1.00 15.05 C ATOM 479 CD LYS A 30 -1.916 3.822 -4.781 1.00 61.35 C ATOM 480 CE LYS A 30 -2.375 4.780 -5.890 1.00 62.42 C ATOM 481 NZ LYS A 30 -3.310 4.114 -6.833 1.00 34.43 N ATOM 0 H LYS A 30 1.663 3.536 -2.650 1.00 65.03 H new ATOM 0 HA LYS A 30 2.089 6.133 -3.821 1.00 31.24 H new ATOM 0 HB2 LYS A 30 0.135 5.784 -5.057 1.00 11.44 H new ATOM 0 HB3 LYS A 30 0.820 4.181 -4.881 1.00 11.44 H new ATOM 0 HG2 LYS A 30 -0.777 3.777 -2.951 1.00 15.05 H new ATOM 0 HG3 LYS A 30 -1.515 5.329 -3.293 1.00 15.05 H new ATOM 0 HD2 LYS A 30 -1.397 2.976 -5.232 1.00 61.35 H new ATOM 0 HD3 LYS A 30 -2.792 3.423 -4.269 1.00 61.35 H new ATOM 0 HE2 LYS A 30 -2.863 5.647 -5.444 1.00 62.42 H new ATOM 0 HE3 LYS A 30 -1.507 5.148 -6.436 1.00 62.42 H new ATOM 0 HZ1 LYS A 30 -3.600 4.789 -7.569 1.00 34.43 H new ATOM 0 HZ2 LYS A 30 -2.836 3.301 -7.276 1.00 34.43 H new ATOM 0 HZ3 LYS A 30 -4.150 3.785 -6.315 1.00 34.43 H new ATOM 495 N ALA A 31 0.317 5.842 -1.051 1.00 63.15 N ATOM 496 CA ALA A 31 -0.230 6.602 0.093 1.00 63.00 C ATOM 497 C ALA A 31 0.860 7.488 0.706 1.00 23.21 C ATOM 498 O ALA A 31 0.586 8.603 1.149 1.00 20.44 O ATOM 499 CB ALA A 31 -0.805 5.659 1.154 1.00 23.35 C ATOM 0 H ALA A 31 0.452 4.849 -0.860 1.00 63.15 H new ATOM 0 HA ALA A 31 -1.039 7.234 -0.273 1.00 63.00 H new ATOM 0 HB1 ALA A 31 -1.201 6.244 1.984 1.00 23.35 H new ATOM 0 HB2 ALA A 31 -1.606 5.063 0.716 1.00 23.35 H new ATOM 0 HB3 ALA A 31 -0.018 4.998 1.518 1.00 23.35 H new ATOM 505 N TYR A 32 2.100 6.960 0.725 1.00 24.23 N ATOM 506 CA TYR A 32 3.304 7.725 1.110 1.00 1.23 C ATOM 507 C TYR A 32 3.489 8.923 0.168 1.00 23.42 C ATOM 508 O TYR A 32 3.524 10.054 0.611 1.00 30.44 O ATOM 509 CB TYR A 32 4.557 6.798 1.101 1.00 64.20 C ATOM 510 CG TYR A 32 5.898 7.508 1.371 1.00 3.51 C ATOM 511 CD1 TYR A 32 6.238 7.946 2.654 1.00 32.41 C ATOM 512 CD2 TYR A 32 6.823 7.751 0.342 1.00 22.32 C ATOM 513 CE1 TYR A 32 7.442 8.583 2.904 1.00 41.15 C ATOM 514 CE2 TYR A 32 8.026 8.387 0.591 1.00 14.30 C ATOM 515 CZ TYR A 32 8.329 8.805 1.869 1.00 54.45 C ATOM 516 OH TYR A 32 9.531 9.436 2.117 1.00 15.01 O ATOM 0 H TYR A 32 2.296 5.991 0.474 1.00 24.23 H new ATOM 0 HA TYR A 32 3.178 8.107 2.123 1.00 1.23 H new ATOM 0 HB2 TYR A 32 4.419 6.019 1.851 1.00 64.20 H new ATOM 0 HB3 TYR A 32 4.615 6.301 0.132 1.00 64.20 H new ATOM 0 HD1 TYR A 32 5.547 7.784 3.468 1.00 32.41 H new ATOM 0 HD2 TYR A 32 6.590 7.435 -0.664 1.00 22.32 H new ATOM 0 HE1 TYR A 32 7.687 8.905 3.905 1.00 41.15 H new ATOM 0 HE2 TYR A 32 8.726 8.556 -0.214 1.00 14.30 H new ATOM 0 HH TYR A 32 10.038 9.513 1.282 1.00 15.01 H new ATOM 526 N ASN A 33 3.566 8.628 -1.130 1.00 35.15 N ATOM 527 CA ASN A 33 3.701 9.630 -2.211 1.00 21.41 C ATOM 528 C ASN A 33 2.578 10.694 -2.182 1.00 41.12 C ATOM 529 O ASN A 33 2.856 11.892 -2.139 1.00 22.13 O ATOM 530 CB ASN A 33 3.706 8.919 -3.595 1.00 34.34 C ATOM 531 CG ASN A 33 4.979 8.105 -3.885 1.00 45.20 C ATOM 532 OD1 ASN A 33 5.660 7.625 -2.982 1.00 71.11 O ATOM 533 ND2 ASN A 33 5.313 7.932 -5.151 1.00 61.12 N ATOM 0 H ASN A 33 3.537 7.669 -1.476 1.00 35.15 H new ATOM 0 HA ASN A 33 4.646 10.148 -2.048 1.00 21.41 H new ATOM 0 HB2 ASN A 33 2.844 8.255 -3.652 1.00 34.34 H new ATOM 0 HB3 ASN A 33 3.583 9.669 -4.376 1.00 34.34 H new ATOM 0 HD21 ASN A 33 6.146 7.394 -5.390 1.00 61.12 H new ATOM 0 HD22 ASN A 33 4.738 8.336 -5.890 1.00 61.12 H new ATOM 540 N SER A 34 1.317 10.229 -2.184 1.00 55.15 N ATOM 541 CA SER A 34 0.125 11.119 -2.293 1.00 20.33 C ATOM 542 C SER A 34 -0.036 12.014 -1.051 1.00 43.42 C ATOM 543 O SER A 34 -0.150 13.237 -1.178 1.00 51.33 O ATOM 544 CB SER A 34 -1.172 10.301 -2.516 1.00 62.22 C ATOM 545 OG SER A 34 -2.293 11.150 -2.721 1.00 25.30 O ATOM 0 H SER A 34 1.086 9.238 -2.111 1.00 55.15 H new ATOM 0 HA SER A 34 0.293 11.759 -3.160 1.00 20.33 H new ATOM 0 HB2 SER A 34 -1.047 9.646 -3.379 1.00 62.22 H new ATOM 0 HB3 SER A 34 -1.352 9.660 -1.653 1.00 62.22 H new ATOM 0 HG SER A 34 -3.095 10.605 -2.860 1.00 25.30 H new ATOM 551 N ALA A 35 -0.034 11.390 0.145 1.00 25.33 N ATOM 552 CA ALA A 35 -0.165 12.119 1.421 1.00 15.42 C ATOM 553 C ALA A 35 1.022 13.063 1.664 1.00 31.50 C ATOM 554 O ALA A 35 0.809 14.186 2.074 1.00 14.34 O ATOM 555 CB ALA A 35 -0.324 11.162 2.610 1.00 62.32 C ATOM 0 H ALA A 35 0.057 10.380 0.252 1.00 25.33 H new ATOM 0 HA ALA A 35 -1.071 12.720 1.340 1.00 15.42 H new ATOM 0 HB1 ALA A 35 -0.417 11.738 3.531 1.00 62.32 H new ATOM 0 HB2 ALA A 35 -1.218 10.554 2.470 1.00 62.32 H new ATOM 0 HB3 ALA A 35 0.550 10.514 2.675 1.00 62.32 H new ATOM 561 N ALA A 36 2.266 12.602 1.377 1.00 41.15 N ATOM 562 CA ALA A 36 3.493 13.422 1.619 1.00 11.44 C ATOM 563 C ALA A 36 3.546 14.667 0.703 1.00 54.23 C ATOM 564 O ALA A 36 3.784 15.787 1.171 1.00 62.43 O ATOM 565 CB ALA A 36 4.769 12.583 1.439 1.00 64.04 C ATOM 0 H ALA A 36 2.451 11.680 0.983 1.00 41.15 H new ATOM 0 HA ALA A 36 3.441 13.765 2.652 1.00 11.44 H new ATOM 0 HB1 ALA A 36 5.644 13.207 1.622 1.00 64.04 H new ATOM 0 HB2 ALA A 36 4.762 11.753 2.146 1.00 64.04 H new ATOM 0 HB3 ALA A 36 4.808 12.193 0.422 1.00 64.04 H new ATOM 571 N SER A 37 3.310 14.448 -0.605 1.00 74.32 N ATOM 572 CA SER A 37 3.314 15.525 -1.624 1.00 21.24 C ATOM 573 C SER A 37 2.200 16.556 -1.364 1.00 22.55 C ATOM 574 O SER A 37 2.458 17.754 -1.319 1.00 21.10 O ATOM 575 CB SER A 37 3.174 14.935 -3.046 1.00 14.01 C ATOM 576 OG SER A 37 4.275 14.097 -3.360 1.00 73.11 O ATOM 0 H SER A 37 3.111 13.524 -0.988 1.00 74.32 H new ATOM 0 HA SER A 37 4.272 16.039 -1.549 1.00 21.24 H new ATOM 0 HB2 SER A 37 2.247 14.366 -3.118 1.00 14.01 H new ATOM 0 HB3 SER A 37 3.109 15.743 -3.774 1.00 14.01 H new ATOM 0 HG SER A 37 4.093 13.187 -3.046 1.00 73.11 H new ATOM 582 N SER A 38 0.966 16.073 -1.150 1.00 63.12 N ATOM 583 CA SER A 38 -0.214 16.951 -0.936 1.00 0.14 C ATOM 584 C SER A 38 -0.197 17.624 0.440 1.00 54.33 C ATOM 585 O SER A 38 -0.764 18.702 0.592 1.00 53.32 O ATOM 586 CB SER A 38 -1.528 16.166 -1.140 1.00 30.44 C ATOM 587 OG SER A 38 -2.673 16.987 -0.946 1.00 10.42 O ATOM 0 H SER A 38 0.751 15.076 -1.119 1.00 63.12 H new ATOM 0 HA SER A 38 -0.159 17.743 -1.683 1.00 0.14 H new ATOM 0 HB2 SER A 38 -1.548 15.747 -2.146 1.00 30.44 H new ATOM 0 HB3 SER A 38 -1.561 15.327 -0.445 1.00 30.44 H new ATOM 0 HG SER A 38 -3.484 16.455 -1.085 1.00 10.42 H new ATOM 593 N ASP A 39 0.460 16.994 1.429 1.00 25.31 N ATOM 594 CA ASP A 39 0.709 17.617 2.750 1.00 11.24 C ATOM 595 C ASP A 39 1.594 18.877 2.616 1.00 1.21 C ATOM 596 O ASP A 39 1.247 19.931 3.139 1.00 32.20 O ATOM 597 CB ASP A 39 1.396 16.610 3.698 1.00 14.24 C ATOM 598 CG ASP A 39 1.599 17.130 5.128 1.00 33.12 C ATOM 599 OD1 ASP A 39 0.631 17.122 5.915 1.00 64.02 O ATOM 600 OD2 ASP A 39 2.728 17.537 5.477 1.00 11.04 O ATOM 0 H ASP A 39 0.832 16.048 1.342 1.00 25.31 H new ATOM 0 HA ASP A 39 -0.256 17.909 3.164 1.00 11.24 H new ATOM 0 HB2 ASP A 39 0.799 15.699 3.736 1.00 14.24 H new ATOM 0 HB3 ASP A 39 2.366 16.339 3.281 1.00 14.24 H new ATOM 605 N LEU A 40 2.737 18.752 1.891 1.00 42.45 N ATOM 606 CA LEU A 40 3.728 19.855 1.769 1.00 21.23 C ATOM 607 C LEU A 40 3.196 20.992 0.862 1.00 72.31 C ATOM 608 O LEU A 40 3.653 22.137 0.950 1.00 64.45 O ATOM 609 CB LEU A 40 5.124 19.310 1.329 1.00 45.21 C ATOM 610 CG LEU A 40 5.282 18.728 -0.123 1.00 11.34 C ATOM 611 CD1 LEU A 40 5.587 19.826 -1.165 1.00 72.03 C ATOM 612 CD2 LEU A 40 6.348 17.610 -0.171 1.00 13.21 C ATOM 0 H LEU A 40 2.994 17.904 1.385 1.00 42.45 H new ATOM 0 HA LEU A 40 3.873 20.301 2.753 1.00 21.23 H new ATOM 0 HB2 LEU A 40 5.846 20.119 1.441 1.00 45.21 H new ATOM 0 HB3 LEU A 40 5.410 18.528 2.032 1.00 45.21 H new ATOM 0 HG LEU A 40 4.320 18.290 -0.389 1.00 11.34 H new ATOM 0 HD11 LEU A 40 5.687 19.374 -2.152 1.00 72.03 H new ATOM 0 HD12 LEU A 40 4.773 20.551 -1.179 1.00 72.03 H new ATOM 0 HD13 LEU A 40 6.517 20.330 -0.901 1.00 72.03 H new ATOM 0 HD21 LEU A 40 6.431 17.230 -1.189 1.00 13.21 H new ATOM 0 HD22 LEU A 40 7.310 18.011 0.147 1.00 13.21 H new ATOM 0 HD23 LEU A 40 6.055 16.799 0.496 1.00 13.21 H new ATOM 624 N ARG A 41 2.220 20.652 -0.004 1.00 22.31 N ATOM 625 CA ARG A 41 1.478 21.645 -0.821 1.00 41.12 C ATOM 626 C ARG A 41 0.372 22.326 0.016 1.00 41.04 C ATOM 627 O ARG A 41 0.152 23.529 -0.109 1.00 13.02 O ATOM 628 CB ARG A 41 0.845 20.989 -2.083 1.00 3.54 C ATOM 629 CG ARG A 41 1.843 20.274 -3.017 1.00 41.30 C ATOM 630 CD ARG A 41 2.906 21.204 -3.629 1.00 75.51 C ATOM 631 NE ARG A 41 3.907 20.434 -4.385 1.00 20.10 N ATOM 632 CZ ARG A 41 4.760 20.912 -5.268 1.00 51.44 C ATOM 633 NH1 ARG A 41 4.759 22.160 -5.626 1.00 74.20 N ATOM 634 NH2 ARG A 41 5.619 20.117 -5.793 1.00 45.32 N ATOM 0 H ARG A 41 1.922 19.689 -0.159 1.00 22.31 H new ATOM 0 HA ARG A 41 2.198 22.396 -1.146 1.00 41.12 H new ATOM 0 HB2 ARG A 41 0.093 20.269 -1.761 1.00 3.54 H new ATOM 0 HB3 ARG A 41 0.326 21.760 -2.653 1.00 3.54 H new ATOM 0 HG2 ARG A 41 2.345 19.484 -2.459 1.00 41.30 H new ATOM 0 HG3 ARG A 41 1.289 19.792 -3.823 1.00 41.30 H new ATOM 0 HD2 ARG A 41 2.426 21.928 -4.287 1.00 75.51 H new ATOM 0 HD3 ARG A 41 3.398 21.770 -2.838 1.00 75.51 H new ATOM 0 HE ARG A 41 3.944 19.430 -4.208 1.00 20.10 H new ATOM 0 HH11 ARG A 41 4.082 22.806 -5.220 1.00 74.20 H new ATOM 0 HH12 ARG A 41 5.435 22.494 -6.313 1.00 74.20 H new ATOM 0 HH21 ARG A 41 5.634 19.133 -5.525 1.00 45.32 H new ATOM 0 HH22 ARG A 41 6.287 20.469 -6.478 1.00 45.32 H new ATOM 648 N ASN A 42 -0.313 21.532 0.866 1.00 74.11 N ATOM 649 CA ASN A 42 -1.436 22.013 1.716 1.00 44.52 C ATOM 650 C ASN A 42 -0.962 22.996 2.824 1.00 21.03 C ATOM 651 O ASN A 42 -1.632 23.992 3.106 1.00 24.12 O ATOM 652 CB ASN A 42 -2.182 20.811 2.354 1.00 42.12 C ATOM 653 CG ASN A 42 -3.455 21.200 3.124 1.00 71.14 C ATOM 654 OD1 ASN A 42 -4.148 22.148 2.776 1.00 1.44 O ATOM 655 ND2 ASN A 42 -3.774 20.475 4.174 1.00 30.51 N ATOM 0 H ASN A 42 -0.108 20.540 0.986 1.00 74.11 H new ATOM 0 HA ASN A 42 -2.117 22.561 1.065 1.00 44.52 H new ATOM 0 HB2 ASN A 42 -2.447 20.103 1.569 1.00 42.12 H new ATOM 0 HB3 ASN A 42 -1.503 20.294 3.033 1.00 42.12 H new ATOM 0 HD21 ASN A 42 -4.610 20.699 4.713 1.00 30.51 H new ATOM 0 HD22 ASN A 42 -3.185 19.689 4.449 1.00 30.51 H new ATOM 662 N LEU A 43 0.190 22.706 3.458 1.00 34.32 N ATOM 663 CA LEU A 43 0.768 23.609 4.486 1.00 13.22 C ATOM 664 C LEU A 43 1.362 24.872 3.831 1.00 5.11 C ATOM 665 O LEU A 43 1.351 25.953 4.424 1.00 13.21 O ATOM 666 CB LEU A 43 1.791 22.855 5.389 1.00 52.54 C ATOM 667 CG LEU A 43 3.005 22.122 4.704 1.00 2.33 C ATOM 668 CD1 LEU A 43 4.160 23.082 4.329 1.00 13.20 C ATOM 669 CD2 LEU A 43 3.524 20.958 5.580 1.00 23.12 C ATOM 0 H LEU A 43 0.738 21.864 3.283 1.00 34.32 H new ATOM 0 HA LEU A 43 -0.033 23.943 5.146 1.00 13.22 H new ATOM 0 HB2 LEU A 43 2.197 23.574 6.100 1.00 52.54 H new ATOM 0 HB3 LEU A 43 1.239 22.113 5.966 1.00 52.54 H new ATOM 0 HG LEU A 43 2.622 21.712 3.769 1.00 2.33 H new ATOM 0 HD11 LEU A 43 4.966 22.516 3.861 1.00 13.20 H new ATOM 0 HD12 LEU A 43 3.794 23.837 3.633 1.00 13.20 H new ATOM 0 HD13 LEU A 43 4.534 23.570 5.229 1.00 13.20 H new ATOM 0 HD21 LEU A 43 4.362 20.472 5.080 1.00 23.12 H new ATOM 0 HD22 LEU A 43 3.853 21.347 6.544 1.00 23.12 H new ATOM 0 HD23 LEU A 43 2.724 20.234 5.734 1.00 23.12 H new ATOM 681 N LYS A 44 1.837 24.716 2.579 1.00 3.13 N ATOM 682 CA LYS A 44 2.336 25.828 1.755 1.00 41.31 C ATOM 683 C LYS A 44 1.172 26.760 1.377 1.00 52.43 C ATOM 684 O LYS A 44 1.308 27.986 1.407 1.00 51.34 O ATOM 685 CB LYS A 44 2.995 25.273 0.462 1.00 31.23 C ATOM 686 CG LYS A 44 3.555 26.345 -0.502 1.00 40.50 C ATOM 687 CD LYS A 44 3.864 25.788 -1.917 1.00 23.22 C ATOM 688 CE LYS A 44 4.418 26.867 -2.869 1.00 4.42 C ATOM 689 NZ LYS A 44 3.530 28.053 -2.977 1.00 64.42 N ATOM 0 H LYS A 44 1.884 23.810 2.112 1.00 3.13 H new ATOM 0 HA LYS A 44 3.077 26.387 2.326 1.00 41.31 H new ATOM 0 HB2 LYS A 44 3.806 24.602 0.745 1.00 31.23 H new ATOM 0 HB3 LYS A 44 2.259 24.674 -0.074 1.00 31.23 H new ATOM 0 HG2 LYS A 44 2.836 27.160 -0.588 1.00 40.50 H new ATOM 0 HG3 LYS A 44 4.466 26.767 -0.077 1.00 40.50 H new ATOM 0 HD2 LYS A 44 4.586 24.976 -1.834 1.00 23.22 H new ATOM 0 HD3 LYS A 44 2.955 25.364 -2.343 1.00 23.22 H new ATOM 0 HE2 LYS A 44 5.400 27.185 -2.518 1.00 4.42 H new ATOM 0 HE3 LYS A 44 4.559 26.433 -3.859 1.00 4.42 H new ATOM 0 HZ1 LYS A 44 3.421 28.315 -3.977 1.00 64.42 H new ATOM 0 HZ2 LYS A 44 2.598 27.826 -2.575 1.00 64.42 H new ATOM 0 HZ3 LYS A 44 3.948 28.849 -2.454 1.00 64.42 H new ATOM 703 N THR A 45 0.016 26.142 1.056 1.00 52.41 N ATOM 704 CA THR A 45 -1.157 26.852 0.492 1.00 70.11 C ATOM 705 C THR A 45 -1.932 27.609 1.588 1.00 43.23 C ATOM 706 O THR A 45 -2.524 28.662 1.331 1.00 54.41 O ATOM 707 CB THR A 45 -2.096 25.876 -0.317 1.00 13.40 C ATOM 708 OG1 THR A 45 -2.761 26.595 -1.366 1.00 23.12 O ATOM 709 CG2 THR A 45 -3.159 25.163 0.540 1.00 21.24 C ATOM 0 H THR A 45 -0.133 25.140 1.179 1.00 52.41 H new ATOM 0 HA THR A 45 -0.782 27.592 -0.215 1.00 70.11 H new ATOM 0 HB THR A 45 -1.439 25.103 -0.715 1.00 13.40 H new ATOM 0 HG1 THR A 45 -3.341 25.983 -1.865 1.00 23.12 H new ATOM 0 HG21 THR A 45 -3.761 24.512 -0.094 1.00 21.24 H new ATOM 0 HG22 THR A 45 -2.667 24.567 1.309 1.00 21.24 H new ATOM 0 HG23 THR A 45 -3.803 25.905 1.013 1.00 21.24 H new ATOM 717 N ALA A 46 -1.902 27.044 2.801 1.00 32.42 N ATOM 718 CA ALA A 46 -2.416 27.689 4.024 1.00 41.01 C ATOM 719 C ALA A 46 -1.612 28.969 4.352 1.00 51.35 C ATOM 720 O ALA A 46 -2.189 30.034 4.619 1.00 43.53 O ATOM 721 CB ALA A 46 -2.360 26.688 5.196 1.00 34.23 C ATOM 0 H ALA A 46 -1.516 26.115 2.967 1.00 32.42 H new ATOM 0 HA ALA A 46 -3.452 27.985 3.860 1.00 41.01 H new ATOM 0 HB1 ALA A 46 -2.740 27.164 6.100 1.00 34.23 H new ATOM 0 HB2 ALA A 46 -2.972 25.817 4.960 1.00 34.23 H new ATOM 0 HB3 ALA A 46 -1.329 26.374 5.357 1.00 34.23 H new ATOM 727 N LEU A 47 -0.269 28.850 4.294 1.00 72.12 N ATOM 728 CA LEU A 47 0.668 29.966 4.561 1.00 35.32 C ATOM 729 C LEU A 47 0.600 31.072 3.478 1.00 42.25 C ATOM 730 O LEU A 47 0.570 32.259 3.803 1.00 71.40 O ATOM 731 CB LEU A 47 2.117 29.425 4.681 1.00 72.33 C ATOM 732 CG LEU A 47 2.430 28.568 5.948 1.00 11.21 C ATOM 733 CD1 LEU A 47 3.824 27.903 5.848 1.00 73.31 C ATOM 734 CD2 LEU A 47 2.300 29.420 7.238 1.00 22.31 C ATOM 0 H LEU A 47 0.200 27.975 4.060 1.00 72.12 H new ATOM 0 HA LEU A 47 0.365 30.422 5.503 1.00 35.32 H new ATOM 0 HB2 LEU A 47 2.332 28.823 3.798 1.00 72.33 H new ATOM 0 HB3 LEU A 47 2.802 30.273 4.663 1.00 72.33 H new ATOM 0 HG LEU A 47 1.692 27.768 6.001 1.00 11.21 H new ATOM 0 HD11 LEU A 47 4.011 27.314 6.746 1.00 73.31 H new ATOM 0 HD12 LEU A 47 3.855 27.253 4.974 1.00 73.31 H new ATOM 0 HD13 LEU A 47 4.589 28.674 5.754 1.00 73.31 H new ATOM 0 HD21 LEU A 47 2.523 28.801 8.107 1.00 22.31 H new ATOM 0 HD22 LEU A 47 3.002 30.253 7.196 1.00 22.31 H new ATOM 0 HD23 LEU A 47 1.284 29.806 7.318 1.00 22.31 H new ATOM 746 N GLU A 48 0.549 30.680 2.191 1.00 43.13 N ATOM 747 CA GLU A 48 0.564 31.651 1.070 1.00 21.23 C ATOM 748 C GLU A 48 -0.773 32.418 0.971 1.00 33.12 C ATOM 749 O GLU A 48 -0.797 33.550 0.498 1.00 1.33 O ATOM 750 CB GLU A 48 0.920 30.960 -0.270 1.00 30.42 C ATOM 751 CG GLU A 48 -0.158 30.051 -0.875 1.00 11.33 C ATOM 752 CD GLU A 48 0.359 29.236 -2.075 1.00 3.21 C ATOM 753 OE1 GLU A 48 0.975 28.174 -1.858 1.00 10.14 O ATOM 754 OE2 GLU A 48 0.167 29.657 -3.235 1.00 23.12 O ATOM 0 H GLU A 48 0.497 29.704 1.898 1.00 43.13 H new ATOM 0 HA GLU A 48 1.345 32.382 1.280 1.00 21.23 H new ATOM 0 HB2 GLU A 48 1.164 31.733 -0.999 1.00 30.42 H new ATOM 0 HB3 GLU A 48 1.822 30.367 -0.120 1.00 30.42 H new ATOM 0 HG2 GLU A 48 -0.525 29.369 -0.108 1.00 11.33 H new ATOM 0 HG3 GLU A 48 -1.005 30.659 -1.192 1.00 11.33 H new ATOM 761 N SER A 49 -1.875 31.790 1.447 1.00 3.40 N ATOM 762 CA SER A 49 -3.186 32.476 1.624 1.00 30.34 C ATOM 763 C SER A 49 -3.154 33.444 2.837 1.00 65.40 C ATOM 764 O SER A 49 -3.844 34.463 2.847 1.00 73.12 O ATOM 765 CB SER A 49 -4.331 31.446 1.827 1.00 73.50 C ATOM 766 OG SER A 49 -4.468 30.575 0.716 1.00 25.54 O ATOM 0 H SER A 49 -1.886 30.806 1.717 1.00 3.40 H new ATOM 0 HA SER A 49 -3.373 33.048 0.715 1.00 30.34 H new ATOM 0 HB2 SER A 49 -4.136 30.860 2.725 1.00 73.50 H new ATOM 0 HB3 SER A 49 -5.270 31.975 1.990 1.00 73.50 H new ATOM 0 HG SER A 49 -3.818 29.845 0.790 1.00 25.54 H new ATOM 772 N ALA A 50 -2.329 33.101 3.847 1.00 33.14 N ATOM 773 CA ALA A 50 -2.215 33.852 5.120 1.00 2.23 C ATOM 774 C ALA A 50 -1.396 35.151 4.966 1.00 55.15 C ATOM 775 O ALA A 50 -1.581 36.109 5.726 1.00 2.34 O ATOM 776 CB ALA A 50 -1.584 32.951 6.187 1.00 23.03 C ATOM 0 H ALA A 50 -1.716 32.287 3.804 1.00 33.14 H new ATOM 0 HA ALA A 50 -3.220 34.146 5.424 1.00 2.23 H new ATOM 0 HB1 ALA A 50 -1.499 33.501 7.124 1.00 23.03 H new ATOM 0 HB2 ALA A 50 -2.211 32.072 6.338 1.00 23.03 H new ATOM 0 HB3 ALA A 50 -0.593 32.638 5.859 1.00 23.03 H new ATOM 782 N PHE A 51 -0.471 35.152 3.997 1.00 34.25 N ATOM 783 CA PHE A 51 0.379 36.321 3.664 1.00 62.13 C ATOM 784 C PHE A 51 -0.053 36.958 2.318 1.00 74.31 C ATOM 785 O PHE A 51 0.360 38.080 2.002 1.00 61.43 O ATOM 786 CB PHE A 51 1.869 35.897 3.605 1.00 74.34 C ATOM 787 CG PHE A 51 2.461 35.483 4.962 1.00 63.21 C ATOM 788 CD1 PHE A 51 3.012 36.434 5.821 1.00 15.10 C ATOM 789 CD2 PHE A 51 2.454 34.151 5.383 1.00 73.13 C ATOM 790 CE1 PHE A 51 3.540 36.068 7.045 1.00 72.23 C ATOM 791 CE2 PHE A 51 2.982 33.786 6.604 1.00 33.24 C ATOM 792 CZ PHE A 51 3.524 34.743 7.438 1.00 64.21 C ATOM 0 H PHE A 51 -0.284 34.338 3.412 1.00 34.25 H new ATOM 0 HA PHE A 51 0.253 37.069 4.447 1.00 62.13 H new ATOM 0 HB2 PHE A 51 1.971 35.065 2.908 1.00 74.34 H new ATOM 0 HB3 PHE A 51 2.455 36.724 3.203 1.00 74.34 H new ATOM 0 HD1 PHE A 51 3.026 37.473 5.525 1.00 15.10 H new ATOM 0 HD2 PHE A 51 2.028 33.394 4.741 1.00 73.13 H new ATOM 0 HE1 PHE A 51 3.966 36.818 7.695 1.00 72.23 H new ATOM 0 HE2 PHE A 51 2.971 32.750 6.908 1.00 33.24 H new ATOM 0 HZ PHE A 51 3.935 34.457 8.395 1.00 64.21 H new ATOM 802 N ALA A 52 -0.845 36.199 1.519 1.00 62.12 N ATOM 803 CA ALA A 52 -1.424 36.630 0.204 1.00 45.42 C ATOM 804 C ALA A 52 -0.394 36.757 -0.963 1.00 41.41 C ATOM 805 O ALA A 52 -0.788 36.728 -2.137 1.00 33.53 O ATOM 806 CB ALA A 52 -2.255 37.918 0.360 1.00 73.43 C ATOM 0 H ALA A 52 -1.110 35.246 1.770 1.00 62.12 H new ATOM 0 HA ALA A 52 -2.081 35.813 -0.095 1.00 45.42 H new ATOM 0 HB1 ALA A 52 -2.663 38.208 -0.609 1.00 73.43 H new ATOM 0 HB2 ALA A 52 -3.072 37.741 1.059 1.00 73.43 H new ATOM 0 HB3 ALA A 52 -1.619 38.718 0.740 1.00 73.43 H new ATOM 812 N ASP A 53 0.905 36.862 -0.643 1.00 23.33 N ATOM 813 CA ASP A 53 1.973 37.152 -1.627 1.00 70.23 C ATOM 814 C ASP A 53 2.673 35.859 -2.141 1.00 73.24 C ATOM 815 O ASP A 53 3.188 35.844 -3.262 1.00 14.53 O ATOM 816 CB ASP A 53 2.998 38.100 -0.956 1.00 22.44 C ATOM 817 CG ASP A 53 4.108 38.593 -1.895 1.00 64.33 C ATOM 818 OD1 ASP A 53 3.822 39.425 -2.783 1.00 33.11 O ATOM 819 OD2 ASP A 53 5.271 38.155 -1.750 1.00 22.54 O ATOM 0 H ASP A 53 1.251 36.748 0.310 1.00 23.33 H new ATOM 0 HA ASP A 53 1.528 37.624 -2.503 1.00 70.23 H new ATOM 0 HB2 ASP A 53 2.468 38.963 -0.553 1.00 22.44 H new ATOM 0 HB3 ASP A 53 3.455 37.584 -0.111 1.00 22.44 H new ATOM 824 N ASP A 54 2.661 34.789 -1.312 1.00 50.31 N ATOM 825 CA ASP A 54 3.411 33.529 -1.553 1.00 20.24 C ATOM 826 C ASP A 54 4.949 33.759 -1.615 1.00 52.24 C ATOM 827 O ASP A 54 5.556 33.845 -2.686 1.00 62.54 O ATOM 828 CB ASP A 54 2.897 32.741 -2.803 1.00 24.40 C ATOM 829 CG ASP A 54 3.605 31.378 -3.005 1.00 32.45 C ATOM 830 OD1 ASP A 54 3.865 30.681 -1.996 1.00 3.31 O ATOM 831 OD2 ASP A 54 3.903 31.002 -4.163 1.00 73.54 O ATOM 0 H ASP A 54 2.124 34.774 -0.445 1.00 50.31 H new ATOM 0 HA ASP A 54 3.212 32.899 -0.686 1.00 20.24 H new ATOM 0 HB2 ASP A 54 1.825 32.574 -2.702 1.00 24.40 H new ATOM 0 HB3 ASP A 54 3.042 33.353 -3.694 1.00 24.40 H new ATOM 836 N GLN A 55 5.545 33.897 -0.429 1.00 42.13 N ATOM 837 CA GLN A 55 7.016 33.929 -0.237 1.00 24.10 C ATOM 838 C GLN A 55 7.495 32.622 0.455 1.00 21.20 C ATOM 839 O GLN A 55 8.659 32.514 0.863 1.00 31.53 O ATOM 840 CB GLN A 55 7.455 35.192 0.575 1.00 24.13 C ATOM 841 CG GLN A 55 6.902 35.306 2.022 1.00 42.04 C ATOM 842 CD GLN A 55 5.434 35.757 2.100 1.00 75.14 C ATOM 843 OE1 GLN A 55 4.514 34.944 2.073 1.00 3.14 O ATOM 844 NE2 GLN A 55 5.203 37.043 2.221 1.00 4.13 N ATOM 0 H GLN A 55 5.023 33.992 0.442 1.00 42.13 H new ATOM 0 HA GLN A 55 7.489 33.994 -1.217 1.00 24.10 H new ATOM 0 HB2 GLN A 55 8.544 35.207 0.623 1.00 24.13 H new ATOM 0 HB3 GLN A 55 7.148 36.079 0.021 1.00 24.13 H new ATOM 0 HG2 GLN A 55 7.000 34.338 2.514 1.00 42.04 H new ATOM 0 HG3 GLN A 55 7.518 36.011 2.580 1.00 42.04 H new ATOM 0 HE21 GLN A 55 5.982 37.701 2.241 1.00 4.13 H new ATOM 0 HE22 GLN A 55 4.245 37.384 2.295 1.00 4.13 H new ATOM 853 N THR A 56 6.590 31.618 0.552 1.00 45.03 N ATOM 854 CA THR A 56 6.906 30.292 1.134 1.00 55.11 C ATOM 855 C THR A 56 7.875 29.523 0.205 1.00 11.04 C ATOM 856 O THR A 56 8.993 29.174 0.592 1.00 74.52 O ATOM 857 CB THR A 56 5.604 29.441 1.375 1.00 33.34 C ATOM 858 OG1 THR A 56 4.954 29.134 0.130 1.00 42.12 O ATOM 859 CG2 THR A 56 4.600 30.173 2.273 1.00 64.21 C ATOM 0 H THR A 56 5.626 31.704 0.231 1.00 45.03 H new ATOM 0 HA THR A 56 7.382 30.457 2.100 1.00 55.11 H new ATOM 0 HB THR A 56 5.923 28.523 1.869 1.00 33.34 H new ATOM 0 HG1 THR A 56 4.692 29.966 -0.316 1.00 42.12 H new ATOM 0 HG21 THR A 56 3.716 29.551 2.414 1.00 64.21 H new ATOM 0 HG22 THR A 56 5.058 30.376 3.241 1.00 64.21 H new ATOM 0 HG23 THR A 56 4.311 31.113 1.804 1.00 64.21 H new ATOM 867 N TYR A 57 7.411 29.283 -1.031 1.00 62.21 N ATOM 868 CA TYR A 57 8.205 28.744 -2.141 1.00 23.51 C ATOM 869 C TYR A 57 7.711 29.426 -3.439 1.00 62.42 C ATOM 870 O TYR A 57 6.599 29.129 -3.886 1.00 35.31 O ATOM 871 CB TYR A 57 8.084 27.191 -2.245 1.00 13.42 C ATOM 872 CG TYR A 57 8.819 26.420 -1.132 1.00 71.22 C ATOM 873 CD1 TYR A 57 10.196 26.206 -1.212 1.00 3.21 C ATOM 874 CD2 TYR A 57 8.147 25.916 -0.007 1.00 34.31 C ATOM 875 CE1 TYR A 57 10.875 25.529 -0.225 1.00 25.12 C ATOM 876 CE2 TYR A 57 8.831 25.233 0.985 1.00 14.11 C ATOM 877 CZ TYR A 57 10.194 25.042 0.868 1.00 51.43 C ATOM 878 OH TYR A 57 10.889 24.376 1.852 1.00 54.42 O ATOM 0 H TYR A 57 6.442 29.465 -1.292 1.00 62.21 H new ATOM 0 HA TYR A 57 9.261 28.954 -1.973 1.00 23.51 H new ATOM 0 HB2 TYR A 57 7.029 26.919 -2.223 1.00 13.42 H new ATOM 0 HB3 TYR A 57 8.476 26.872 -3.211 1.00 13.42 H new ATOM 0 HD1 TYR A 57 10.740 26.580 -2.067 1.00 3.21 H new ATOM 0 HD2 TYR A 57 7.081 26.063 0.086 1.00 34.31 H new ATOM 0 HE1 TYR A 57 11.941 25.380 -0.308 1.00 25.12 H new ATOM 0 HE2 TYR A 57 8.301 24.852 1.846 1.00 14.11 H new ATOM 0 HH TYR A 57 10.269 24.095 2.557 1.00 54.42 H new ATOM 888 N PRO A 58 8.496 30.418 -4.003 1.00 41.42 N ATOM 889 CA PRO A 58 8.179 31.100 -5.298 1.00 23.32 C ATOM 890 C PRO A 58 7.700 30.126 -6.419 1.00 74.32 C ATOM 891 O PRO A 58 8.259 29.029 -6.520 1.00 21.31 O ATOM 892 CB PRO A 58 9.535 31.742 -5.673 1.00 52.33 C ATOM 893 CG PRO A 58 10.160 32.086 -4.356 1.00 33.33 C ATOM 894 CD PRO A 58 9.731 30.989 -3.391 1.00 14.23 C ATOM 0 HA PRO A 58 7.352 31.803 -5.196 1.00 23.32 H new ATOM 0 HB2 PRO A 58 10.158 31.051 -6.241 1.00 52.33 H new ATOM 0 HB3 PRO A 58 9.397 32.629 -6.292 1.00 52.33 H new ATOM 0 HG2 PRO A 58 11.246 32.131 -4.439 1.00 33.33 H new ATOM 0 HG3 PRO A 58 9.826 33.064 -4.009 1.00 33.33 H new ATOM 0 HD2 PRO A 58 10.507 30.231 -3.281 1.00 14.23 H new ATOM 0 HD3 PRO A 58 9.533 31.390 -2.397 1.00 14.23 H new ATOM 902 N PRO A 59 6.671 30.539 -7.266 1.00 4.35 N ATOM 903 CA PRO A 59 6.007 29.687 -8.309 1.00 61.33 C ATOM 904 C PRO A 59 6.913 28.622 -9.007 1.00 12.20 C ATOM 905 O PRO A 59 7.616 28.910 -9.985 1.00 61.53 O ATOM 906 CB PRO A 59 5.498 30.743 -9.314 1.00 13.34 C ATOM 907 CG PRO A 59 5.092 31.899 -8.446 1.00 0.11 C ATOM 908 CD PRO A 59 6.049 31.898 -7.253 1.00 42.45 C ATOM 0 HA PRO A 59 5.239 29.055 -7.862 1.00 61.33 H new ATOM 0 HB2 PRO A 59 6.276 31.029 -10.022 1.00 13.34 H new ATOM 0 HB3 PRO A 59 4.658 30.367 -9.898 1.00 13.34 H new ATOM 0 HG2 PRO A 59 5.156 32.839 -8.995 1.00 0.11 H new ATOM 0 HG3 PRO A 59 4.059 31.793 -8.116 1.00 0.11 H new ATOM 0 HD2 PRO A 59 6.803 32.679 -7.350 1.00 42.45 H new ATOM 0 HD3 PRO A 59 5.518 32.081 -6.319 1.00 42.45 H new ATOM 916 N GLU A 60 6.909 27.399 -8.435 1.00 73.15 N ATOM 917 CA GLU A 60 7.669 26.248 -8.948 1.00 32.15 C ATOM 918 C GLU A 60 7.018 25.703 -10.242 1.00 54.10 C ATOM 919 O GLU A 60 7.671 25.601 -11.286 1.00 32.43 O ATOM 920 CB GLU A 60 7.726 25.145 -7.862 1.00 43.42 C ATOM 921 CG GLU A 60 8.459 23.855 -8.284 1.00 22.13 C ATOM 922 CD GLU A 60 8.341 22.732 -7.247 1.00 75.23 C ATOM 923 OE1 GLU A 60 7.290 22.048 -7.216 1.00 3.53 O ATOM 924 OE2 GLU A 60 9.287 22.519 -6.454 1.00 53.22 O ATOM 0 H GLU A 60 6.371 27.185 -7.595 1.00 73.15 H new ATOM 0 HA GLU A 60 8.683 26.566 -9.189 1.00 32.15 H new ATOM 0 HB2 GLU A 60 8.217 25.551 -6.978 1.00 43.42 H new ATOM 0 HB3 GLU A 60 6.707 24.888 -7.572 1.00 43.42 H new ATOM 0 HG2 GLU A 60 8.054 23.508 -9.235 1.00 22.13 H new ATOM 0 HG3 GLU A 60 9.513 24.080 -8.449 1.00 22.13 H new ATOM 931 N SER A 61 5.719 25.359 -10.137 1.00 72.01 N ATOM 932 CA SER A 61 4.902 24.814 -11.251 1.00 55.44 C ATOM 933 C SER A 61 4.019 25.931 -11.893 1.00 24.44 C ATOM 934 O SER A 61 2.966 26.286 -11.318 1.00 74.43 O ATOM 935 CB SER A 61 4.043 23.625 -10.733 1.00 24.54 C ATOM 936 OG SER A 61 3.246 23.993 -9.611 1.00 0.24 O ATOM 937 OXT SER A 61 4.388 26.452 -12.971 1.00 37.84 O ATOM 0 H SER A 61 5.196 25.451 -9.266 1.00 72.01 H new ATOM 0 HA SER A 61 5.563 24.444 -12.034 1.00 55.44 H new ATOM 0 HB2 SER A 61 3.397 23.267 -11.535 1.00 24.54 H new ATOM 0 HB3 SER A 61 4.697 22.798 -10.458 1.00 24.54 H new ATOM 0 HG SER A 61 2.863 24.883 -9.760 1.00 0.24 H new TER 943 SER A 61