USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 33 GLN : amide:sc= 0.0484 X(o=0.048,f=0) USER MOD Set 2.1: A 10 GLN : amide:sc= -0.444 X(o=-0.3,f=0.2) USER MOD Set 2.2: A 14 THR OG1 : rot -160:sc= 0.149 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.00224 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -141:sc= -0.0339 (180deg=-0.431) USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 0.486 (180deg=-0.584!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 20 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.186 USER MOD Single : A 24 MET CE :methyl -106:sc= -0.376 (180deg=-2.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.038 USER MOD Single : A 38 SER OG : rot -30:sc= 0.273 USER MOD Single : A 41 SER OG : rot 6:sc= 1.28 USER MOD Single : A 53 HIS : no HE2:sc= -0.225 X(o=-0.22,f=-0.7) USER MOD Single : A 54 TYR OH : rot -102:sc= 0.209 USER MOD Single : A 55 THR OG1 : rot 47:sc= -0.0168 USER MOD Single : A 58 TYR OH : rot -114:sc= 1.24 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0137 F(o=-1.1,f=-0.014) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.461 -1.996 -11.037 1.00 13.14 N ATOM 2 CA GLY A 1 27.405 -1.750 -9.941 1.00 1.50 C ATOM 3 C GLY A 1 26.663 -1.242 -8.722 1.00 11.42 C ATOM 4 O GLY A 1 25.901 -0.285 -8.840 1.00 64.22 O ATOM 0 H1 GLY A 1 26.914 -1.763 -11.944 1.00 13.14 H new ATOM 0 H2 GLY A 1 26.182 -2.998 -11.037 1.00 13.14 H new ATOM 0 H3 GLY A 1 25.617 -1.402 -10.908 1.00 13.14 H new ATOM 0 HA2 GLY A 1 27.938 -2.669 -9.696 1.00 1.50 H new ATOM 0 HA3 GLY A 1 28.153 -1.021 -10.251 1.00 1.50 H new ATOM 8 N ASP A 2 26.848 -1.893 -7.574 1.00 35.12 N ATOM 9 CA ASP A 2 26.555 -1.391 -6.230 1.00 13.21 C ATOM 10 C ASP A 2 27.552 -2.058 -5.265 1.00 34.11 C ATOM 11 O ASP A 2 28.425 -2.808 -5.714 1.00 74.05 O ATOM 12 CB ASP A 2 25.093 -1.672 -5.838 1.00 41.52 C ATOM 13 CG ASP A 2 24.606 -0.650 -4.807 1.00 71.25 C ATOM 14 OD1 ASP A 2 24.929 -0.767 -3.607 1.00 23.00 O ATOM 15 OD2 ASP A 2 23.900 0.298 -5.212 1.00 55.33 O ATOM 0 H ASP A 2 27.228 -2.839 -7.555 1.00 35.12 H new ATOM 0 HA ASP A 2 26.670 -0.308 -6.189 1.00 13.21 H new ATOM 0 HB2 ASP A 2 24.459 -1.633 -6.724 1.00 41.52 H new ATOM 0 HB3 ASP A 2 25.007 -2.679 -5.429 1.00 41.52 H new ATOM 19 N ASP A 3 27.438 -1.804 -3.966 1.00 54.33 N ATOM 20 CA ASP A 3 28.416 -2.087 -2.933 1.00 55.42 C ATOM 21 C ASP A 3 27.649 -2.765 -1.794 1.00 63.25 C ATOM 22 O ASP A 3 27.710 -3.983 -1.619 1.00 11.41 O ATOM 23 CB ASP A 3 29.137 -0.806 -2.438 1.00 21.41 C ATOM 24 CG ASP A 3 29.495 0.261 -3.475 1.00 40.13 C ATOM 25 OD1 ASP A 3 28.560 0.833 -4.096 1.00 51.45 O ATOM 26 OD2 ASP A 3 30.665 0.686 -3.483 1.00 21.43 O ATOM 0 H ASP A 3 26.600 -1.364 -3.585 1.00 54.33 H new ATOM 0 HA ASP A 3 29.205 -2.730 -3.323 1.00 55.42 H new ATOM 0 HB2 ASP A 3 28.507 -0.339 -1.682 1.00 21.41 H new ATOM 0 HB3 ASP A 3 30.058 -1.112 -1.941 1.00 21.41 H new ATOM 30 N ARG A 4 26.897 -1.983 -1.013 1.00 31.11 N ATOM 31 CA ARG A 4 26.107 -2.418 0.132 1.00 73.14 C ATOM 32 C ARG A 4 24.954 -1.432 0.284 1.00 63.13 C ATOM 33 O ARG A 4 25.026 -0.516 1.107 1.00 43.23 O ATOM 34 CB ARG A 4 27.013 -2.526 1.381 1.00 55.33 C ATOM 35 CG ARG A 4 26.233 -2.960 2.635 1.00 21.02 C ATOM 36 CD ARG A 4 27.005 -3.929 3.538 1.00 20.04 C ATOM 37 NE ARG A 4 28.112 -3.293 4.275 1.00 41.34 N ATOM 38 CZ ARG A 4 29.007 -3.964 5.011 1.00 41.53 C ATOM 39 NH1 ARG A 4 29.108 -5.287 4.929 1.00 15.30 N ATOM 40 NH2 ARG A 4 29.812 -3.294 5.826 1.00 22.34 N ATOM 0 H ARG A 4 26.822 -0.979 -1.175 1.00 31.11 H new ATOM 0 HA ARG A 4 25.685 -3.413 -0.006 1.00 73.14 H new ATOM 0 HB2 ARG A 4 27.811 -3.242 1.187 1.00 55.33 H new ATOM 0 HB3 ARG A 4 27.488 -1.563 1.567 1.00 55.33 H new ATOM 0 HG2 ARG A 4 25.968 -2.074 3.211 1.00 21.02 H new ATOM 0 HG3 ARG A 4 25.300 -3.431 2.326 1.00 21.02 H new ATOM 0 HD2 ARG A 4 26.314 -4.376 4.252 1.00 20.04 H new ATOM 0 HD3 ARG A 4 27.404 -4.741 2.929 1.00 20.04 H new ATOM 0 HE ARG A 4 28.202 -2.278 4.221 1.00 41.34 H new ATOM 0 HH11 ARG A 4 28.498 -5.807 4.298 1.00 15.30 H new ATOM 0 HH12 ARG A 4 29.795 -5.782 5.497 1.00 15.30 H new ATOM 0 HH21 ARG A 4 29.745 -2.278 5.887 1.00 22.34 H new ATOM 0 HH22 ARG A 4 30.497 -3.795 6.391 1.00 22.34 H new ATOM 51 N LYS A 5 23.923 -1.560 -0.555 1.00 73.33 N ATOM 52 CA LYS A 5 22.764 -0.688 -0.551 1.00 55.14 C ATOM 53 C LYS A 5 21.601 -1.430 -1.211 1.00 62.31 C ATOM 54 O LYS A 5 21.525 -1.500 -2.439 1.00 4.51 O ATOM 55 CB LYS A 5 23.129 0.635 -1.261 1.00 43.24 C ATOM 56 CG LYS A 5 22.603 1.879 -0.543 1.00 14.53 C ATOM 57 CD LYS A 5 23.416 2.235 0.709 1.00 41.13 C ATOM 58 CE LYS A 5 23.063 3.652 1.164 1.00 24.04 C ATOM 59 NZ LYS A 5 23.411 3.907 2.576 1.00 71.33 N ATOM 0 H LYS A 5 23.877 -2.289 -1.267 1.00 73.33 H new ATOM 0 HA LYS A 5 22.453 -0.427 0.461 1.00 55.14 H new ATOM 0 HB2 LYS A 5 24.213 0.705 -1.345 1.00 43.24 H new ATOM 0 HB3 LYS A 5 22.731 0.615 -2.276 1.00 43.24 H new ATOM 0 HG2 LYS A 5 22.618 2.723 -1.232 1.00 14.53 H new ATOM 0 HG3 LYS A 5 21.563 1.717 -0.260 1.00 14.53 H new ATOM 0 HD2 LYS A 5 23.205 1.523 1.507 1.00 41.13 H new ATOM 0 HD3 LYS A 5 24.482 2.166 0.494 1.00 41.13 H new ATOM 0 HE2 LYS A 5 23.583 4.371 0.532 1.00 24.04 H new ATOM 0 HE3 LYS A 5 21.995 3.818 1.023 1.00 24.04 H new ATOM 0 HZ1 LYS A 5 23.149 4.882 2.828 1.00 71.33 H new ATOM 0 HZ2 LYS A 5 22.895 3.241 3.186 1.00 71.33 H new ATOM 0 HZ3 LYS A 5 24.434 3.778 2.710 1.00 71.33 H new ATOM 69 N LEU A 6 20.719 -2.048 -0.421 1.00 44.11 N ATOM 70 CA LEU A 6 19.634 -2.901 -0.912 1.00 33.44 C ATOM 71 C LEU A 6 18.318 -2.404 -0.314 1.00 32.10 C ATOM 72 O LEU A 6 18.071 -2.646 0.865 1.00 41.44 O ATOM 73 CB LEU A 6 19.877 -4.376 -0.532 1.00 3.43 C ATOM 74 CG LEU A 6 21.180 -5.014 -1.049 1.00 62.11 C ATOM 75 CD1 LEU A 6 21.285 -6.443 -0.511 1.00 74.32 C ATOM 76 CD2 LEU A 6 21.262 -5.064 -2.579 1.00 34.43 C ATOM 0 H LEU A 6 20.739 -1.968 0.596 1.00 44.11 H new ATOM 0 HA LEU A 6 19.592 -2.846 -2.000 1.00 33.44 H new ATOM 0 HB2 LEU A 6 19.867 -4.454 0.555 1.00 3.43 H new ATOM 0 HB3 LEU A 6 19.038 -4.966 -0.902 1.00 3.43 H new ATOM 0 HG LEU A 6 22.000 -4.388 -0.697 1.00 62.11 H new ATOM 0 HD11 LEU A 6 22.205 -6.901 -0.873 1.00 74.32 H new ATOM 0 HD12 LEU A 6 21.294 -6.422 0.579 1.00 74.32 H new ATOM 0 HD13 LEU A 6 20.430 -7.025 -0.855 1.00 74.32 H new ATOM 0 HD21 LEU A 6 22.204 -5.525 -2.878 1.00 34.43 H new ATOM 0 HD22 LEU A 6 20.431 -5.651 -2.969 1.00 34.43 H new ATOM 0 HD23 LEU A 6 21.210 -4.052 -2.979 1.00 34.43 H new ATOM 87 N MET A 7 17.514 -1.673 -1.081 1.00 0.43 N ATOM 88 CA MET A 7 16.243 -1.110 -0.627 1.00 23.02 C ATOM 89 C MET A 7 15.119 -2.143 -0.701 1.00 13.21 C ATOM 90 O MET A 7 15.304 -3.283 -1.134 1.00 31.30 O ATOM 91 CB MET A 7 15.915 0.136 -1.468 1.00 3.44 C ATOM 92 CG MET A 7 16.951 1.239 -1.235 1.00 72.04 C ATOM 93 SD MET A 7 17.203 1.753 0.484 1.00 52.31 S ATOM 94 CE MET A 7 15.556 2.409 0.845 1.00 34.44 C ATOM 0 H MET A 7 17.730 -1.451 -2.053 1.00 0.43 H new ATOM 0 HA MET A 7 16.335 -0.820 0.420 1.00 23.02 H new ATOM 0 HB2 MET A 7 15.891 -0.129 -2.525 1.00 3.44 H new ATOM 0 HB3 MET A 7 14.922 0.503 -1.209 1.00 3.44 H new ATOM 0 HG2 MET A 7 17.907 0.900 -1.635 1.00 72.04 H new ATOM 0 HG3 MET A 7 16.655 2.114 -1.814 1.00 72.04 H new ATOM 0 HE1 MET A 7 15.648 3.307 1.457 1.00 34.44 H new ATOM 0 HE2 MET A 7 15.050 2.656 -0.088 1.00 34.44 H new ATOM 0 HE3 MET A 7 14.976 1.660 1.385 1.00 34.44 H new ATOM 102 N LYS A 8 13.932 -1.707 -0.274 1.00 73.35 N ATOM 103 CA LYS A 8 12.671 -2.419 -0.432 1.00 62.23 C ATOM 104 C LYS A 8 12.380 -2.659 -1.921 1.00 54.33 C ATOM 105 O LYS A 8 13.088 -2.178 -2.816 1.00 43.52 O ATOM 106 CB LYS A 8 11.559 -1.623 0.293 1.00 73.23 C ATOM 107 CG LYS A 8 11.622 -1.808 1.819 1.00 54.11 C ATOM 108 CD LYS A 8 10.885 -3.066 2.292 1.00 1.41 C ATOM 109 CE LYS A 8 11.203 -3.357 3.761 1.00 15.00 C ATOM 110 NZ LYS A 8 10.262 -4.316 4.377 1.00 33.54 N ATOM 0 H LYS A 8 13.823 -0.815 0.209 1.00 73.35 H new ATOM 0 HA LYS A 8 12.720 -3.407 0.026 1.00 62.23 H new ATOM 0 HB2 LYS A 8 11.654 -0.564 0.052 1.00 73.23 H new ATOM 0 HB3 LYS A 8 10.584 -1.947 -0.072 1.00 73.23 H new ATOM 0 HG2 LYS A 8 12.665 -1.863 2.132 1.00 54.11 H new ATOM 0 HG3 LYS A 8 11.189 -0.934 2.305 1.00 54.11 H new ATOM 0 HD2 LYS A 8 9.810 -2.933 2.166 1.00 1.41 H new ATOM 0 HD3 LYS A 8 11.175 -3.917 1.676 1.00 1.41 H new ATOM 0 HE2 LYS A 8 12.216 -3.752 3.836 1.00 15.00 H new ATOM 0 HE3 LYS A 8 11.182 -2.424 4.323 1.00 15.00 H new ATOM 0 HZ1 LYS A 8 10.262 -4.189 5.409 1.00 33.54 H new ATOM 0 HZ2 LYS A 8 9.304 -4.148 4.008 1.00 33.54 H new ATOM 0 HZ3 LYS A 8 10.556 -5.287 4.148 1.00 33.54 H new ATOM 120 N THR A 9 11.339 -3.433 -2.195 1.00 54.14 N ATOM 121 CA THR A 9 10.906 -3.794 -3.534 1.00 3.44 C ATOM 122 C THR A 9 9.465 -3.340 -3.728 1.00 44.04 C ATOM 123 O THR A 9 8.763 -3.051 -2.753 1.00 54.15 O ATOM 124 CB THR A 9 11.071 -5.312 -3.728 1.00 21.43 C ATOM 125 OG1 THR A 9 10.479 -6.039 -2.667 1.00 64.55 O ATOM 126 CG2 THR A 9 12.546 -5.701 -3.826 1.00 11.14 C ATOM 0 H THR A 9 10.754 -3.840 -1.465 1.00 54.14 H new ATOM 0 HA THR A 9 11.516 -3.298 -4.288 1.00 3.44 H new ATOM 0 HB THR A 9 10.566 -5.563 -4.661 1.00 21.43 H new ATOM 0 HG1 THR A 9 10.600 -6.999 -2.821 1.00 64.55 H new ATOM 0 HG21 THR A 9 12.630 -6.779 -3.963 1.00 11.14 H new ATOM 0 HG22 THR A 9 13.001 -5.191 -4.675 1.00 11.14 H new ATOM 0 HG23 THR A 9 13.061 -5.410 -2.910 1.00 11.14 H new ATOM 134 N GLN A 10 9.014 -3.334 -4.985 1.00 41.44 N ATOM 135 CA GLN A 10 7.611 -3.148 -5.314 1.00 34.51 C ATOM 136 C GLN A 10 6.802 -4.235 -4.605 1.00 64.43 C ATOM 137 O GLN A 10 5.794 -3.928 -3.981 1.00 20.34 O ATOM 138 CB GLN A 10 7.435 -3.134 -6.847 1.00 23.12 C ATOM 139 CG GLN A 10 6.297 -2.206 -7.289 1.00 43.02 C ATOM 140 CD GLN A 10 4.926 -2.719 -6.903 1.00 32.13 C ATOM 141 OE1 GLN A 10 4.425 -3.679 -7.481 1.00 0.23 O ATOM 142 NE2 GLN A 10 4.251 -2.021 -6.014 1.00 74.54 N ATOM 0 H GLN A 10 9.617 -3.458 -5.799 1.00 41.44 H new ATOM 0 HA GLN A 10 7.237 -2.186 -4.962 1.00 34.51 H new ATOM 0 HB2 GLN A 10 8.366 -2.814 -7.315 1.00 23.12 H new ATOM 0 HB3 GLN A 10 7.234 -4.146 -7.198 1.00 23.12 H new ATOM 0 HG2 GLN A 10 6.447 -1.221 -6.847 1.00 43.02 H new ATOM 0 HG3 GLN A 10 6.339 -2.079 -8.371 1.00 43.02 H new ATOM 0 HE21 GLN A 10 4.691 -1.228 -5.548 1.00 74.54 H new ATOM 0 HE22 GLN A 10 3.288 -2.274 -5.791 1.00 74.54 H new ATOM 149 N GLU A 11 7.299 -5.478 -4.628 1.00 24.24 N ATOM 150 CA GLU A 11 6.671 -6.582 -3.922 1.00 11.13 C ATOM 151 C GLU A 11 6.494 -6.268 -2.445 1.00 13.30 C ATOM 152 O GLU A 11 5.385 -6.432 -1.964 1.00 41.23 O ATOM 153 CB GLU A 11 7.469 -7.883 -4.053 1.00 13.00 C ATOM 154 CG GLU A 11 6.890 -8.813 -5.116 1.00 20.52 C ATOM 155 CD GLU A 11 7.603 -10.152 -5.024 1.00 43.23 C ATOM 156 OE1 GLU A 11 7.137 -11.042 -4.269 1.00 31.32 O ATOM 157 OE2 GLU A 11 8.666 -10.277 -5.672 1.00 13.00 O ATOM 0 H GLU A 11 8.144 -5.737 -5.137 1.00 24.24 H new ATOM 0 HA GLU A 11 5.695 -6.718 -4.389 1.00 11.13 H new ATOM 0 HB2 GLU A 11 8.504 -7.648 -4.303 1.00 13.00 H new ATOM 0 HB3 GLU A 11 7.482 -8.397 -3.092 1.00 13.00 H new ATOM 0 HG2 GLU A 11 5.819 -8.943 -4.963 1.00 20.52 H new ATOM 0 HG3 GLU A 11 7.020 -8.382 -6.109 1.00 20.52 H new ATOM 162 N GLU A 12 7.550 -5.869 -1.731 1.00 55.01 N ATOM 163 CA GLU A 12 7.501 -5.642 -0.286 1.00 73.33 C ATOM 164 C GLU A 12 6.417 -4.622 0.064 1.00 62.15 C ATOM 165 O GLU A 12 5.546 -4.912 0.879 1.00 3.24 O ATOM 166 CB GLU A 12 8.862 -5.123 0.196 1.00 55.01 C ATOM 167 CG GLU A 12 9.843 -6.247 0.547 1.00 53.22 C ATOM 168 CD GLU A 12 9.902 -6.464 2.060 1.00 43.21 C ATOM 169 OE1 GLU A 12 8.860 -6.515 2.745 1.00 3.21 O ATOM 170 OE2 GLU A 12 11.014 -6.398 2.626 1.00 31.20 O ATOM 0 H GLU A 12 8.467 -5.694 -2.142 1.00 55.01 H new ATOM 0 HA GLU A 12 7.266 -6.585 0.207 1.00 73.33 H new ATOM 0 HB2 GLU A 12 9.300 -4.495 -0.580 1.00 55.01 H new ATOM 0 HB3 GLU A 12 8.714 -4.491 1.072 1.00 55.01 H new ATOM 0 HG2 GLU A 12 9.537 -7.170 0.054 1.00 53.22 H new ATOM 0 HG3 GLU A 12 10.836 -6.000 0.172 1.00 53.22 H new ATOM 175 N LEU A 13 6.471 -3.434 -0.549 1.00 33.12 N ATOM 176 CA LEU A 13 5.531 -2.355 -0.251 1.00 1.24 C ATOM 177 C LEU A 13 4.106 -2.786 -0.598 1.00 4.13 C ATOM 178 O LEU A 13 3.181 -2.415 0.120 1.00 0.34 O ATOM 179 CB LEU A 13 5.973 -1.076 -0.994 1.00 44.02 C ATOM 180 CG LEU A 13 6.858 -0.098 -0.192 1.00 34.43 C ATOM 181 CD1 LEU A 13 7.774 -0.705 0.877 1.00 52.11 C ATOM 182 CD2 LEU A 13 7.747 0.675 -1.169 1.00 71.21 C ATOM 0 H LEU A 13 7.163 -3.198 -1.260 1.00 33.12 H new ATOM 0 HA LEU A 13 5.534 -2.131 0.816 1.00 1.24 H new ATOM 0 HB2 LEU A 13 6.514 -1.371 -1.893 1.00 44.02 H new ATOM 0 HB3 LEU A 13 5.080 -0.543 -1.320 1.00 44.02 H new ATOM 0 HG LEU A 13 6.144 0.521 0.352 1.00 34.43 H new ATOM 0 HD11 LEU A 13 8.340 0.089 1.365 1.00 52.11 H new ATOM 0 HD12 LEU A 13 7.171 -1.229 1.618 1.00 52.11 H new ATOM 0 HD13 LEU A 13 8.464 -1.407 0.409 1.00 52.11 H new ATOM 0 HD21 LEU A 13 8.378 1.370 -0.615 1.00 71.21 H new ATOM 0 HD22 LEU A 13 8.375 -0.024 -1.721 1.00 71.21 H new ATOM 0 HD23 LEU A 13 7.122 1.231 -1.868 1.00 71.21 H new ATOM 193 N THR A 14 3.916 -3.606 -1.634 1.00 32.30 N ATOM 194 CA THR A 14 2.625 -4.209 -1.924 1.00 72.14 C ATOM 195 C THR A 14 2.250 -5.259 -0.863 1.00 51.21 C ATOM 196 O THR A 14 1.110 -5.241 -0.411 1.00 14.22 O ATOM 197 CB THR A 14 2.649 -4.762 -3.361 1.00 60.13 C ATOM 198 OG1 THR A 14 2.710 -3.666 -4.257 1.00 20.42 O ATOM 199 CG2 THR A 14 1.413 -5.591 -3.727 1.00 60.34 C ATOM 0 H THR A 14 4.653 -3.866 -2.290 1.00 32.30 H new ATOM 0 HA THR A 14 1.836 -3.459 -1.871 1.00 72.14 H new ATOM 0 HB THR A 14 3.515 -5.420 -3.430 1.00 60.13 H new ATOM 0 HG1 THR A 14 2.412 -3.953 -5.145 1.00 20.42 H new ATOM 0 HG21 THR A 14 1.504 -5.945 -4.754 1.00 60.34 H new ATOM 0 HG22 THR A 14 1.335 -6.445 -3.054 1.00 60.34 H new ATOM 0 HG23 THR A 14 0.520 -4.973 -3.634 1.00 60.34 H new ATOM 207 N GLU A 15 3.152 -6.160 -0.456 1.00 33.51 N ATOM 208 CA GLU A 15 2.882 -7.271 0.464 1.00 35.20 C ATOM 209 C GLU A 15 2.407 -6.745 1.803 1.00 33.22 C ATOM 210 O GLU A 15 1.433 -7.264 2.331 1.00 23.31 O ATOM 211 CB GLU A 15 4.120 -8.146 0.727 1.00 2.43 C ATOM 212 CG GLU A 15 4.510 -9.111 -0.387 1.00 44.31 C ATOM 213 CD GLU A 15 3.660 -10.372 -0.489 1.00 72.23 C ATOM 214 OE1 GLU A 15 2.410 -10.332 -0.487 1.00 4.44 O ATOM 215 OE2 GLU A 15 4.263 -11.436 -0.761 1.00 52.43 O ATOM 0 H GLU A 15 4.123 -6.135 -0.769 1.00 33.51 H new ATOM 0 HA GLU A 15 2.117 -7.878 -0.021 1.00 35.20 H new ATOM 0 HB2 GLU A 15 4.968 -7.490 0.925 1.00 2.43 H new ATOM 0 HB3 GLU A 15 3.945 -8.723 1.635 1.00 2.43 H new ATOM 0 HG2 GLU A 15 4.458 -8.581 -1.338 1.00 44.31 H new ATOM 0 HG3 GLU A 15 5.550 -9.405 -0.242 1.00 44.31 H new ATOM 220 N ILE A 16 3.067 -5.721 2.343 1.00 51.42 N ATOM 221 CA ILE A 16 2.694 -5.113 3.615 1.00 32.11 C ATOM 222 C ILE A 16 1.224 -4.693 3.510 1.00 3.10 C ATOM 223 O ILE A 16 0.362 -5.129 4.273 1.00 11.13 O ATOM 224 CB ILE A 16 3.625 -3.909 3.909 1.00 31.44 C ATOM 225 CG1 ILE A 16 5.109 -4.324 4.049 1.00 44.31 C ATOM 226 CG2 ILE A 16 3.146 -3.236 5.203 1.00 15.20 C ATOM 227 CD1 ILE A 16 6.093 -3.177 3.805 1.00 11.40 C ATOM 0 H ILE A 16 3.881 -5.289 1.905 1.00 51.42 H new ATOM 0 HA ILE A 16 2.807 -5.812 4.443 1.00 32.11 H new ATOM 0 HB ILE A 16 3.572 -3.221 3.065 1.00 31.44 H new ATOM 0 HG12 ILE A 16 5.272 -4.725 5.049 1.00 44.31 H new ATOM 0 HG13 ILE A 16 5.320 -5.129 3.345 1.00 44.31 H new ATOM 0 HG21 ILE A 16 3.788 -2.385 5.429 1.00 15.20 H new ATOM 0 HG22 ILE A 16 2.119 -2.893 5.076 1.00 15.20 H new ATOM 0 HG23 ILE A 16 3.190 -3.952 6.024 1.00 15.20 H new ATOM 0 HD11 ILE A 16 7.113 -3.542 3.920 1.00 11.40 H new ATOM 0 HD12 ILE A 16 5.958 -2.790 2.795 1.00 11.40 H new ATOM 0 HD13 ILE A 16 5.909 -2.380 4.526 1.00 11.40 H new ATOM 238 N VAL A 17 0.932 -3.871 2.505 1.00 75.12 N ATOM 239 CA VAL A 17 -0.392 -3.333 2.257 1.00 20.21 C ATOM 240 C VAL A 17 -1.404 -4.450 1.953 1.00 21.34 C ATOM 241 O VAL A 17 -2.588 -4.290 2.237 1.00 52.15 O ATOM 242 CB VAL A 17 -0.236 -2.277 1.145 1.00 55.04 C ATOM 243 CG1 VAL A 17 -1.562 -1.749 0.592 1.00 13.32 C ATOM 244 CG2 VAL A 17 0.575 -1.090 1.680 1.00 42.34 C ATOM 0 H VAL A 17 1.628 -3.557 1.829 1.00 75.12 H new ATOM 0 HA VAL A 17 -0.811 -2.847 3.138 1.00 20.21 H new ATOM 0 HB VAL A 17 0.273 -2.780 0.323 1.00 55.04 H new ATOM 0 HG11 VAL A 17 -1.364 -1.011 -0.185 1.00 13.32 H new ATOM 0 HG12 VAL A 17 -2.135 -2.575 0.171 1.00 13.32 H new ATOM 0 HG13 VAL A 17 -2.133 -1.285 1.396 1.00 13.32 H new ATOM 0 HG21 VAL A 17 0.686 -0.342 0.895 1.00 42.34 H new ATOM 0 HG22 VAL A 17 0.056 -0.649 2.531 1.00 42.34 H new ATOM 0 HG23 VAL A 17 1.560 -1.435 1.995 1.00 42.34 H new ATOM 254 N ARG A 18 -0.973 -5.583 1.397 1.00 12.03 N ATOM 255 CA ARG A 18 -1.810 -6.735 1.101 1.00 13.22 C ATOM 256 C ARG A 18 -2.182 -7.451 2.385 1.00 24.23 C ATOM 257 O ARG A 18 -3.365 -7.643 2.632 1.00 31.21 O ATOM 258 CB ARG A 18 -1.056 -7.699 0.174 1.00 13.44 C ATOM 259 CG ARG A 18 -2.032 -8.621 -0.555 1.00 11.33 C ATOM 260 CD ARG A 18 -1.279 -9.753 -1.252 1.00 42.02 C ATOM 261 NE ARG A 18 -2.227 -10.718 -1.822 1.00 3.22 N ATOM 262 CZ ARG A 18 -2.042 -11.474 -2.904 1.00 40.31 C ATOM 263 NH1 ARG A 18 -0.868 -11.537 -3.524 1.00 40.42 N ATOM 264 NH2 ARG A 18 -3.070 -12.169 -3.365 1.00 40.33 N ATOM 0 H ARG A 18 0.002 -5.724 1.133 1.00 12.03 H new ATOM 0 HA ARG A 18 -2.720 -6.394 0.607 1.00 13.22 H new ATOM 0 HB2 ARG A 18 -0.473 -7.132 -0.551 1.00 13.44 H new ATOM 0 HB3 ARG A 18 -0.351 -8.294 0.755 1.00 13.44 H new ATOM 0 HG2 ARG A 18 -2.749 -9.035 0.154 1.00 11.33 H new ATOM 0 HG3 ARG A 18 -2.602 -8.050 -1.288 1.00 11.33 H new ATOM 0 HD2 ARG A 18 -0.645 -9.346 -2.040 1.00 42.02 H new ATOM 0 HD3 ARG A 18 -0.622 -10.254 -0.541 1.00 42.02 H new ATOM 0 HE ARG A 18 -3.120 -10.821 -1.340 1.00 3.22 H new ATOM 0 HH11 ARG A 18 -0.077 -10.997 -3.174 1.00 40.42 H new ATOM 0 HH12 ARG A 18 -0.758 -12.125 -4.350 1.00 40.42 H new ATOM 0 HH21 ARG A 18 -3.973 -12.117 -2.894 1.00 40.33 H new ATOM 0 HH22 ARG A 18 -2.959 -12.757 -4.191 1.00 40.33 H new ATOM 275 N ASP A 19 -1.194 -7.871 3.170 1.00 14.01 N ATOM 276 CA ASP A 19 -1.376 -8.784 4.308 1.00 54.31 C ATOM 277 C ASP A 19 -2.212 -8.141 5.406 1.00 23.20 C ATOM 278 O ASP A 19 -3.007 -8.782 6.097 1.00 70.55 O ATOM 279 CB ASP A 19 -0.030 -9.202 4.916 1.00 45.32 C ATOM 280 CG ASP A 19 -0.102 -10.667 5.373 1.00 72.51 C ATOM 281 OD1 ASP A 19 -0.167 -11.589 4.520 1.00 41.12 O ATOM 282 OD2 ASP A 19 -0.073 -10.930 6.591 1.00 22.22 O ATOM 0 H ASP A 19 -0.224 -7.584 3.035 1.00 14.01 H new ATOM 0 HA ASP A 19 -1.890 -9.662 3.917 1.00 54.31 H new ATOM 0 HB2 ASP A 19 0.766 -9.079 4.182 1.00 45.32 H new ATOM 0 HB3 ASP A 19 0.214 -8.559 5.761 1.00 45.32 H new ATOM 286 N HIS A 20 -2.052 -6.826 5.536 1.00 53.01 N ATOM 287 CA HIS A 20 -2.841 -5.987 6.419 1.00 61.13 C ATOM 288 C HIS A 20 -4.311 -5.937 5.992 1.00 21.51 C ATOM 289 O HIS A 20 -5.191 -5.713 6.825 1.00 52.11 O ATOM 290 CB HIS A 20 -2.216 -4.593 6.422 1.00 65.52 C ATOM 291 CG HIS A 20 -1.011 -4.515 7.322 1.00 53.33 C ATOM 292 ND1 HIS A 20 -0.937 -3.714 8.428 1.00 11.30 N ATOM 293 CD2 HIS A 20 0.117 -5.296 7.289 1.00 2.14 C ATOM 294 CE1 HIS A 20 0.210 -4.009 9.051 1.00 63.45 C ATOM 295 NE2 HIS A 20 0.878 -4.994 8.427 1.00 71.33 N ATOM 0 H HIS A 20 -1.348 -6.305 5.013 1.00 53.01 H new ATOM 0 HA HIS A 20 -2.833 -6.404 7.426 1.00 61.13 H new ATOM 0 HB2 HIS A 20 -1.927 -4.323 5.406 1.00 65.52 H new ATOM 0 HB3 HIS A 20 -2.958 -3.864 6.747 1.00 65.52 H new ATOM 0 HD2 HIS A 20 0.372 -6.014 6.524 1.00 2.14 H new ATOM 0 HE1 HIS A 20 0.557 -3.515 9.947 1.00 63.45 H new ATOM 0 HE2 HIS A 20 1.753 -5.429 8.719 1.00 71.33 H new ATOM 302 N PHE A 21 -4.585 -6.157 4.707 1.00 4.14 N ATOM 303 CA PHE A 21 -5.908 -6.080 4.125 1.00 43.23 C ATOM 304 C PHE A 21 -6.554 -7.449 3.950 1.00 63.42 C ATOM 305 O PHE A 21 -7.776 -7.533 4.039 1.00 1.31 O ATOM 306 CB PHE A 21 -5.847 -5.350 2.772 1.00 11.34 C ATOM 307 CG PHE A 21 -6.536 -4.006 2.768 1.00 61.14 C ATOM 308 CD1 PHE A 21 -7.808 -3.865 3.351 1.00 44.12 C ATOM 309 CD2 PHE A 21 -5.915 -2.898 2.174 1.00 41.23 C ATOM 310 CE1 PHE A 21 -8.422 -2.602 3.428 1.00 23.31 C ATOM 311 CE2 PHE A 21 -6.549 -1.649 2.205 1.00 43.41 C ATOM 312 CZ PHE A 21 -7.785 -1.491 2.858 1.00 2.42 C ATOM 0 H PHE A 21 -3.864 -6.401 4.028 1.00 4.14 H new ATOM 0 HA PHE A 21 -6.531 -5.519 4.821 1.00 43.23 H new ATOM 0 HB2 PHE A 21 -4.803 -5.212 2.492 1.00 11.34 H new ATOM 0 HB3 PHE A 21 -6.301 -5.982 2.009 1.00 11.34 H new ATOM 0 HD1 PHE A 21 -8.317 -4.733 3.743 1.00 44.12 H new ATOM 0 HD2 PHE A 21 -4.953 -3.007 1.695 1.00 41.23 H new ATOM 0 HE1 PHE A 21 -9.376 -2.489 3.922 1.00 23.31 H new ATOM 0 HE2 PHE A 21 -6.085 -0.801 1.724 1.00 43.41 H new ATOM 0 HZ PHE A 21 -8.243 -0.515 2.920 1.00 2.42 H new ATOM 321 N SER A 22 -5.794 -8.529 3.750 1.00 31.41 N ATOM 322 CA SER A 22 -6.332 -9.878 3.528 1.00 23.30 C ATOM 323 C SER A 22 -7.132 -10.414 4.719 1.00 3.02 C ATOM 324 O SER A 22 -7.765 -11.463 4.629 1.00 74.32 O ATOM 325 CB SER A 22 -5.177 -10.818 3.172 1.00 24.21 C ATOM 326 OG SER A 22 -4.076 -10.704 4.049 1.00 13.34 O ATOM 0 H SER A 22 -4.775 -8.493 3.737 1.00 31.41 H new ATOM 0 HA SER A 22 -7.041 -9.824 2.702 1.00 23.30 H new ATOM 0 HB2 SER A 22 -5.538 -11.847 3.184 1.00 24.21 H new ATOM 0 HB3 SER A 22 -4.846 -10.608 2.155 1.00 24.21 H new ATOM 0 HG SER A 22 -3.372 -11.328 3.773 1.00 13.34 H new ATOM 331 N ASP A 23 -7.117 -9.678 5.825 1.00 4.31 N ATOM 332 CA ASP A 23 -7.740 -10.001 7.103 1.00 3.34 C ATOM 333 C ASP A 23 -8.885 -9.022 7.438 1.00 31.43 C ATOM 334 O ASP A 23 -9.406 -9.002 8.558 1.00 12.20 O ATOM 335 CB ASP A 23 -6.634 -10.011 8.166 1.00 71.44 C ATOM 336 CG ASP A 23 -6.910 -10.944 9.345 1.00 10.00 C ATOM 337 OD1 ASP A 23 -8.006 -11.556 9.423 1.00 31.54 O ATOM 338 OD2 ASP A 23 -6.045 -11.097 10.222 1.00 71.41 O ATOM 0 H ASP A 23 -6.636 -8.779 5.854 1.00 4.31 H new ATOM 0 HA ASP A 23 -8.210 -10.984 7.064 1.00 3.34 H new ATOM 0 HB2 ASP A 23 -5.696 -10.305 7.696 1.00 71.44 H new ATOM 0 HB3 ASP A 23 -6.498 -8.997 8.543 1.00 71.44 H new ATOM 342 N MET A 24 -9.272 -8.184 6.467 1.00 42.25 N ATOM 343 CA MET A 24 -10.316 -7.159 6.541 1.00 64.14 C ATOM 344 C MET A 24 -11.437 -7.391 5.516 1.00 65.55 C ATOM 345 O MET A 24 -12.328 -6.548 5.391 1.00 25.13 O ATOM 346 CB MET A 24 -9.713 -5.749 6.395 1.00 25.14 C ATOM 347 CG MET A 24 -8.922 -5.321 7.633 1.00 24.14 C ATOM 348 SD MET A 24 -8.801 -3.521 7.852 1.00 10.14 S ATOM 349 CE MET A 24 -7.389 -3.123 6.791 1.00 21.31 C ATOM 0 H MET A 24 -8.832 -8.208 5.547 1.00 42.25 H new ATOM 0 HA MET A 24 -10.771 -7.238 7.528 1.00 64.14 H new ATOM 0 HB2 MET A 24 -9.059 -5.725 5.523 1.00 25.14 H new ATOM 0 HB3 MET A 24 -10.513 -5.032 6.213 1.00 25.14 H new ATOM 0 HG2 MET A 24 -9.391 -5.753 8.517 1.00 24.14 H new ATOM 0 HG3 MET A 24 -7.916 -5.737 7.570 1.00 24.14 H new ATOM 0 HE1 MET A 24 -6.519 -2.904 7.410 1.00 21.31 H new ATOM 0 HE2 MET A 24 -7.169 -3.972 6.144 1.00 21.31 H new ATOM 0 HE3 MET A 24 -7.628 -2.253 6.179 1.00 21.31 H new ATOM 357 N GLY A 25 -11.436 -8.507 4.781 1.00 43.35 N ATOM 358 CA GLY A 25 -12.390 -8.762 3.702 1.00 14.24 C ATOM 359 C GLY A 25 -11.659 -9.058 2.403 1.00 43.23 C ATOM 360 O GLY A 25 -10.516 -9.531 2.418 1.00 61.22 O ATOM 0 H GLY A 25 -10.767 -9.264 4.921 1.00 43.35 H new ATOM 0 HA2 GLY A 25 -13.030 -9.604 3.966 1.00 14.24 H new ATOM 0 HA3 GLY A 25 -13.040 -7.897 3.571 1.00 14.24 H new ATOM 364 N GLU A 26 -12.286 -8.751 1.264 1.00 4.44 N ATOM 365 CA GLU A 26 -11.767 -9.091 -0.055 1.00 53.21 C ATOM 366 C GLU A 26 -11.640 -7.851 -0.938 1.00 51.33 C ATOM 367 O GLU A 26 -12.556 -7.029 -1.082 1.00 34.43 O ATOM 368 CB GLU A 26 -12.634 -10.163 -0.712 1.00 35.42 C ATOM 369 CG GLU A 26 -12.466 -11.508 0.010 1.00 14.13 C ATOM 370 CD GLU A 26 -13.354 -12.627 -0.526 1.00 43.02 C ATOM 371 OE1 GLU A 26 -14.054 -12.430 -1.559 1.00 62.31 O ATOM 372 OE2 GLU A 26 -13.343 -13.710 0.084 1.00 24.13 O ATOM 0 H GLU A 26 -13.177 -8.255 1.236 1.00 4.44 H new ATOM 0 HA GLU A 26 -10.764 -9.500 0.068 1.00 53.21 H new ATOM 0 HB2 GLU A 26 -13.680 -9.858 -0.687 1.00 35.42 H new ATOM 0 HB3 GLU A 26 -12.358 -10.270 -1.761 1.00 35.42 H new ATOM 0 HG2 GLU A 26 -11.424 -11.820 -0.066 1.00 14.13 H new ATOM 0 HG3 GLU A 26 -12.680 -11.367 1.069 1.00 14.13 H new ATOM 377 N ILE A 27 -10.462 -7.742 -1.543 1.00 51.43 N ATOM 378 CA ILE A 27 -10.087 -6.700 -2.470 1.00 51.02 C ATOM 379 C ILE A 27 -10.423 -7.170 -3.889 1.00 73.44 C ATOM 380 O ILE A 27 -10.115 -8.308 -4.243 1.00 51.15 O ATOM 381 CB ILE A 27 -8.581 -6.384 -2.337 1.00 22.23 C ATOM 382 CG1 ILE A 27 -8.086 -6.084 -0.905 1.00 24.44 C ATOM 383 CG2 ILE A 27 -8.311 -5.158 -3.200 1.00 23.33 C ATOM 384 CD1 ILE A 27 -7.562 -7.340 -0.192 1.00 61.25 C ATOM 0 H ILE A 27 -9.712 -8.415 -1.387 1.00 51.43 H new ATOM 0 HA ILE A 27 -10.638 -5.785 -2.250 1.00 51.02 H new ATOM 0 HB ILE A 27 -8.043 -7.280 -2.647 1.00 22.23 H new ATOM 0 HG12 ILE A 27 -7.294 -5.336 -0.946 1.00 24.44 H new ATOM 0 HG13 ILE A 27 -8.902 -5.653 -0.324 1.00 24.44 H new ATOM 0 HG21 ILE A 27 -7.255 -4.895 -3.138 1.00 23.33 H new ATOM 0 HG22 ILE A 27 -8.570 -5.378 -4.236 1.00 23.33 H new ATOM 0 HG23 ILE A 27 -8.914 -4.323 -2.844 1.00 23.33 H new ATOM 0 HD11 ILE A 27 -7.226 -7.076 0.811 1.00 61.25 H new ATOM 0 HD12 ILE A 27 -8.360 -8.079 -0.124 1.00 61.25 H new ATOM 0 HD13 ILE A 27 -6.728 -7.757 -0.756 1.00 61.25 H new ATOM 395 N ALA A 28 -10.955 -6.281 -4.730 1.00 61.12 N ATOM 396 CA ALA A 28 -11.037 -6.484 -6.176 1.00 75.42 C ATOM 397 C ALA A 28 -9.708 -6.079 -6.822 1.00 43.01 C ATOM 398 O ALA A 28 -9.072 -6.888 -7.496 1.00 64.25 O ATOM 399 CB ALA A 28 -12.192 -5.666 -6.767 1.00 55.33 C ATOM 0 H ALA A 28 -11.345 -5.390 -4.422 1.00 61.12 H new ATOM 0 HA ALA A 28 -11.229 -7.537 -6.380 1.00 75.42 H new ATOM 0 HB1 ALA A 28 -12.239 -5.828 -7.844 1.00 55.33 H new ATOM 0 HB2 ALA A 28 -13.131 -5.980 -6.311 1.00 55.33 H new ATOM 0 HB3 ALA A 28 -12.028 -4.607 -6.567 1.00 55.33 H new ATOM 405 N THR A 29 -9.255 -4.842 -6.597 1.00 23.34 N ATOM 406 CA THR A 29 -7.995 -4.316 -7.112 1.00 71.13 C ATOM 407 C THR A 29 -7.294 -3.508 -6.020 1.00 13.34 C ATOM 408 O THR A 29 -7.643 -2.364 -5.721 1.00 34.23 O ATOM 409 CB THR A 29 -8.258 -3.508 -8.393 1.00 35.21 C ATOM 410 OG1 THR A 29 -8.795 -4.375 -9.381 1.00 14.01 O ATOM 411 CG2 THR A 29 -6.995 -2.835 -8.943 1.00 21.34 C ATOM 0 H THR A 29 -9.771 -4.164 -6.036 1.00 23.34 H new ATOM 0 HA THR A 29 -7.321 -5.128 -7.386 1.00 71.13 H new ATOM 0 HB THR A 29 -8.961 -2.714 -8.141 1.00 35.21 H new ATOM 0 HG1 THR A 29 -8.968 -3.868 -10.202 1.00 14.01 H new ATOM 0 HG21 THR A 29 -7.243 -2.279 -9.847 1.00 21.34 H new ATOM 0 HG22 THR A 29 -6.592 -2.151 -8.196 1.00 21.34 H new ATOM 0 HG23 THR A 29 -6.250 -3.596 -9.177 1.00 21.34 H new ATOM 419 N LEU A 30 -6.294 -4.124 -5.398 1.00 4.22 N ATOM 420 CA LEU A 30 -5.220 -3.442 -4.708 1.00 15.43 C ATOM 421 C LEU A 30 -4.278 -3.019 -5.815 1.00 60.42 C ATOM 422 O LEU A 30 -3.961 -3.823 -6.700 1.00 3.24 O ATOM 423 CB LEU A 30 -4.511 -4.397 -3.731 1.00 22.44 C ATOM 424 CG LEU A 30 -3.609 -3.685 -2.703 1.00 1.13 C ATOM 425 CD1 LEU A 30 -3.664 -4.481 -1.392 1.00 22.32 C ATOM 426 CD2 LEU A 30 -2.159 -3.561 -3.198 1.00 34.10 C ATOM 0 H LEU A 30 -6.212 -5.140 -5.363 1.00 4.22 H new ATOM 0 HA LEU A 30 -5.573 -2.600 -4.113 1.00 15.43 H new ATOM 0 HB2 LEU A 30 -5.263 -4.979 -3.198 1.00 22.44 H new ATOM 0 HB3 LEU A 30 -3.907 -5.102 -4.302 1.00 22.44 H new ATOM 0 HG LEU A 30 -3.973 -2.669 -2.551 1.00 1.13 H new ATOM 0 HD11 LEU A 30 -3.033 -3.998 -0.646 1.00 22.32 H new ATOM 0 HD12 LEU A 30 -4.692 -4.516 -1.030 1.00 22.32 H new ATOM 0 HD13 LEU A 30 -3.306 -5.496 -1.567 1.00 22.32 H new ATOM 0 HD21 LEU A 30 -1.559 -3.053 -2.443 1.00 34.10 H new ATOM 0 HD22 LEU A 30 -1.750 -4.555 -3.379 1.00 34.10 H new ATOM 0 HD23 LEU A 30 -2.139 -2.986 -4.124 1.00 34.10 H new ATOM 437 N TYR A 31 -3.832 -1.772 -5.776 1.00 41.02 N ATOM 438 CA TYR A 31 -2.708 -1.324 -6.577 1.00 52.15 C ATOM 439 C TYR A 31 -2.103 -0.097 -5.905 1.00 32.30 C ATOM 440 O TYR A 31 -2.631 0.454 -4.939 1.00 22.44 O ATOM 441 CB TYR A 31 -3.149 -0.999 -8.023 1.00 3.32 C ATOM 442 CG TYR A 31 -3.852 0.333 -8.265 1.00 33.21 C ATOM 443 CD1 TYR A 31 -4.786 0.859 -7.347 1.00 34.14 C ATOM 444 CD2 TYR A 31 -3.560 1.063 -9.435 1.00 73.11 C ATOM 445 CE1 TYR A 31 -5.470 2.058 -7.625 1.00 53.30 C ATOM 446 CE2 TYR A 31 -4.229 2.270 -9.712 1.00 14.34 C ATOM 447 CZ TYR A 31 -5.216 2.759 -8.828 1.00 20.51 C ATOM 448 OH TYR A 31 -5.888 3.904 -9.140 1.00 14.03 O ATOM 0 H TYR A 31 -4.240 -1.045 -5.188 1.00 41.02 H new ATOM 0 HA TYR A 31 -1.964 -2.117 -6.642 1.00 52.15 H new ATOM 0 HB2 TYR A 31 -2.265 -1.032 -8.659 1.00 3.32 H new ATOM 0 HB3 TYR A 31 -3.813 -1.795 -8.358 1.00 3.32 H new ATOM 0 HD1 TYR A 31 -4.978 0.336 -6.422 1.00 34.14 H new ATOM 0 HD2 TYR A 31 -2.816 0.693 -10.125 1.00 73.11 H new ATOM 0 HE1 TYR A 31 -6.190 2.444 -6.919 1.00 53.30 H new ATOM 0 HE2 TYR A 31 -3.986 2.825 -10.606 1.00 14.34 H new ATOM 0 HH TYR A 31 -5.576 4.241 -10.005 1.00 14.03 H new ATOM 457 N VAL A 32 -1.013 0.355 -6.484 1.00 32.21 N ATOM 458 CA VAL A 32 -0.325 1.581 -6.278 1.00 34.54 C ATOM 459 C VAL A 32 -0.440 2.529 -7.443 1.00 64.42 C ATOM 460 O VAL A 32 -0.312 2.160 -8.611 1.00 11.20 O ATOM 461 CB VAL A 32 1.045 1.258 -5.699 1.00 52.05 C ATOM 462 CG1 VAL A 32 1.725 0.028 -6.273 1.00 43.42 C ATOM 463 CG2 VAL A 32 2.055 2.380 -5.858 1.00 2.33 C ATOM 0 H VAL A 32 -0.543 -0.207 -7.194 1.00 32.21 H new ATOM 0 HA VAL A 32 -0.802 2.206 -5.523 1.00 34.54 H new ATOM 0 HB VAL A 32 0.787 1.087 -4.654 1.00 52.05 H new ATOM 0 HG11 VAL A 32 2.693 -0.111 -5.792 1.00 43.42 H new ATOM 0 HG12 VAL A 32 1.102 -0.849 -6.095 1.00 43.42 H new ATOM 0 HG13 VAL A 32 1.869 0.159 -7.346 1.00 43.42 H new ATOM 0 HG21 VAL A 32 3.007 2.077 -5.422 1.00 2.33 H new ATOM 0 HG22 VAL A 32 2.194 2.597 -6.917 1.00 2.33 H new ATOM 0 HG23 VAL A 32 1.690 3.272 -5.349 1.00 2.33 H new ATOM 473 N GLN A 33 -0.715 3.789 -7.094 1.00 24.32 N ATOM 474 CA GLN A 33 -0.530 4.911 -8.012 1.00 35.33 C ATOM 475 C GLN A 33 0.845 5.556 -7.804 1.00 71.24 C ATOM 476 O GLN A 33 1.217 6.401 -8.614 1.00 15.22 O ATOM 477 CB GLN A 33 -1.638 5.973 -7.840 1.00 11.32 C ATOM 478 CG GLN A 33 -3.015 5.405 -8.180 1.00 64.20 C ATOM 479 CD GLN A 33 -4.066 6.499 -8.360 1.00 64.52 C ATOM 480 OE1 GLN A 33 -3.987 7.318 -9.280 1.00 20.44 O ATOM 481 NE2 GLN A 33 -5.082 6.527 -7.515 1.00 63.54 N ATOM 0 H GLN A 33 -1.069 4.056 -6.175 1.00 24.32 H new ATOM 0 HA GLN A 33 -0.591 4.516 -9.026 1.00 35.33 H new ATOM 0 HB2 GLN A 33 -1.637 6.338 -6.813 1.00 11.32 H new ATOM 0 HB3 GLN A 33 -1.427 6.828 -8.482 1.00 11.32 H new ATOM 0 HG2 GLN A 33 -2.947 4.816 -9.095 1.00 64.20 H new ATOM 0 HG3 GLN A 33 -3.332 4.727 -7.387 1.00 64.20 H new ATOM 0 HE21 GLN A 33 -5.135 5.844 -6.759 1.00 63.54 H new ATOM 0 HE22 GLN A 33 -5.813 7.231 -7.619 1.00 63.54 H new ATOM 488 N VAL A 34 1.620 5.188 -6.776 1.00 43.25 N ATOM 489 CA VAL A 34 2.915 5.822 -6.538 1.00 32.14 C ATOM 490 C VAL A 34 3.787 4.903 -5.675 1.00 54.25 C ATOM 491 O VAL A 34 3.525 4.700 -4.488 1.00 41.33 O ATOM 492 CB VAL A 34 2.734 7.248 -5.975 1.00 22.54 C ATOM 493 CG1 VAL A 34 1.673 7.359 -4.871 1.00 53.02 C ATOM 494 CG2 VAL A 34 4.079 7.837 -5.557 1.00 21.41 C ATOM 0 H VAL A 34 1.373 4.462 -6.104 1.00 43.25 H new ATOM 0 HA VAL A 34 3.449 5.957 -7.478 1.00 32.14 H new ATOM 0 HB VAL A 34 2.335 7.852 -6.790 1.00 22.54 H new ATOM 0 HG11 VAL A 34 1.609 8.393 -4.531 1.00 53.02 H new ATOM 0 HG12 VAL A 34 0.706 7.045 -5.263 1.00 53.02 H new ATOM 0 HG13 VAL A 34 1.950 6.718 -4.034 1.00 53.02 H new ATOM 0 HG21 VAL A 34 3.929 8.842 -5.163 1.00 21.41 H new ATOM 0 HG22 VAL A 34 4.528 7.209 -4.788 1.00 21.41 H new ATOM 0 HG23 VAL A 34 4.741 7.881 -6.422 1.00 21.41 H new ATOM 504 N TYR A 35 4.817 4.325 -6.289 1.00 34.14 N ATOM 505 CA TYR A 35 5.820 3.507 -5.632 1.00 74.51 C ATOM 506 C TYR A 35 7.003 4.405 -5.318 1.00 35.33 C ATOM 507 O TYR A 35 7.662 4.893 -6.233 1.00 72.52 O ATOM 508 CB TYR A 35 6.218 2.333 -6.531 1.00 35.50 C ATOM 509 CG TYR A 35 7.411 1.557 -6.011 1.00 32.51 C ATOM 510 CD1 TYR A 35 7.250 0.664 -4.938 1.00 35.12 C ATOM 511 CD2 TYR A 35 8.688 1.783 -6.560 1.00 22.03 C ATOM 512 CE1 TYR A 35 8.369 0.000 -4.414 1.00 52.42 C ATOM 513 CE2 TYR A 35 9.809 1.107 -6.043 1.00 54.15 C ATOM 514 CZ TYR A 35 9.652 0.226 -4.950 1.00 1.30 C ATOM 515 OH TYR A 35 10.723 -0.413 -4.411 1.00 23.34 O ATOM 0 H TYR A 35 4.977 4.420 -7.292 1.00 34.14 H new ATOM 0 HA TYR A 35 5.434 3.076 -4.708 1.00 74.51 H new ATOM 0 HB2 TYR A 35 5.369 1.657 -6.631 1.00 35.50 H new ATOM 0 HB3 TYR A 35 6.445 2.709 -7.529 1.00 35.50 H new ATOM 0 HD1 TYR A 35 6.270 0.490 -4.519 1.00 35.12 H new ATOM 0 HD2 TYR A 35 8.807 2.476 -7.379 1.00 22.03 H new ATOM 0 HE1 TYR A 35 8.246 -0.690 -3.593 1.00 52.42 H new ATOM 0 HE2 TYR A 35 10.785 1.261 -6.480 1.00 54.15 H new ATOM 0 HH TYR A 35 11.536 -0.152 -4.892 1.00 23.34 H new ATOM 524 N GLU A 36 7.254 4.671 -4.040 1.00 51.42 N ATOM 525 CA GLU A 36 8.301 5.583 -3.604 1.00 74.31 C ATOM 526 C GLU A 36 9.674 4.920 -3.776 1.00 60.12 C ATOM 527 O GLU A 36 10.191 4.289 -2.865 1.00 62.43 O ATOM 528 CB GLU A 36 7.973 6.012 -2.157 1.00 24.41 C ATOM 529 CG GLU A 36 7.818 7.528 -1.972 1.00 34.13 C ATOM 530 CD GLU A 36 6.809 8.151 -2.951 1.00 75.14 C ATOM 531 OE1 GLU A 36 5.590 8.084 -2.667 1.00 42.14 O ATOM 532 OE2 GLU A 36 7.258 8.687 -3.996 1.00 74.42 O ATOM 0 H GLU A 36 6.729 4.254 -3.271 1.00 51.42 H new ATOM 0 HA GLU A 36 8.344 6.487 -4.212 1.00 74.31 H new ATOM 0 HB2 GLU A 36 7.050 5.523 -1.845 1.00 24.41 H new ATOM 0 HB3 GLU A 36 8.763 5.655 -1.496 1.00 24.41 H new ATOM 0 HG2 GLU A 36 7.499 7.733 -0.950 1.00 34.13 H new ATOM 0 HG3 GLU A 36 8.788 8.006 -2.105 1.00 34.13 H new ATOM 537 N SER A 37 10.298 5.038 -4.947 1.00 62.21 N ATOM 538 CA SER A 37 11.438 4.216 -5.348 1.00 15.54 C ATOM 539 C SER A 37 12.710 4.516 -4.554 1.00 12.43 C ATOM 540 O SER A 37 13.643 3.704 -4.559 1.00 55.23 O ATOM 541 CB SER A 37 11.664 4.380 -6.860 1.00 35.12 C ATOM 542 OG SER A 37 11.557 5.733 -7.272 1.00 2.40 O ATOM 0 H SER A 37 10.021 5.718 -5.655 1.00 62.21 H new ATOM 0 HA SER A 37 11.199 3.177 -5.120 1.00 15.54 H new ATOM 0 HB2 SER A 37 12.651 3.999 -7.122 1.00 35.12 H new ATOM 0 HB3 SER A 37 10.935 3.778 -7.402 1.00 35.12 H new ATOM 0 HG SER A 37 11.709 5.794 -8.238 1.00 2.40 H new ATOM 547 N SER A 38 12.767 5.660 -3.867 1.00 33.44 N ATOM 548 CA SER A 38 13.884 6.032 -3.010 1.00 54.21 C ATOM 549 C SER A 38 13.590 5.771 -1.520 1.00 20.30 C ATOM 550 O SER A 38 14.501 5.888 -0.692 1.00 35.12 O ATOM 551 CB SER A 38 14.240 7.502 -3.293 1.00 14.11 C ATOM 552 OG SER A 38 15.367 7.923 -2.548 1.00 12.33 O ATOM 0 H SER A 38 12.026 6.360 -3.894 1.00 33.44 H new ATOM 0 HA SER A 38 14.744 5.404 -3.240 1.00 54.21 H new ATOM 0 HB2 SER A 38 14.440 7.629 -4.357 1.00 14.11 H new ATOM 0 HB3 SER A 38 13.387 8.136 -3.051 1.00 14.11 H new ATOM 0 HG SER A 38 15.402 7.430 -1.702 1.00 12.33 H new ATOM 557 N LEU A 39 12.344 5.461 -1.155 1.00 73.44 N ATOM 558 CA LEU A 39 11.853 5.444 0.220 1.00 4.30 C ATOM 559 C LEU A 39 11.111 4.123 0.423 1.00 60.43 C ATOM 560 O LEU A 39 11.335 3.176 -0.337 1.00 60.22 O ATOM 561 CB LEU A 39 11.001 6.703 0.494 1.00 71.22 C ATOM 562 CG LEU A 39 11.739 8.044 0.290 1.00 20.50 C ATOM 563 CD1 LEU A 39 10.759 9.217 0.339 1.00 52.02 C ATOM 564 CD2 LEU A 39 12.820 8.270 1.354 1.00 55.02 C ATOM 0 H LEU A 39 11.626 5.207 -1.834 1.00 73.44 H new ATOM 0 HA LEU A 39 12.662 5.487 0.949 1.00 4.30 H new ATOM 0 HB2 LEU A 39 10.128 6.682 -0.158 1.00 71.22 H new ATOM 0 HB3 LEU A 39 10.634 6.659 1.519 1.00 71.22 H new ATOM 0 HG LEU A 39 12.212 7.991 -0.691 1.00 20.50 H new ATOM 0 HD11 LEU A 39 11.302 10.151 0.193 1.00 52.02 H new ATOM 0 HD12 LEU A 39 10.015 9.103 -0.449 1.00 52.02 H new ATOM 0 HD13 LEU A 39 10.261 9.235 1.308 1.00 52.02 H new ATOM 0 HD21 LEU A 39 13.314 9.224 1.173 1.00 55.02 H new ATOM 0 HD22 LEU A 39 12.361 8.281 2.343 1.00 55.02 H new ATOM 0 HD23 LEU A 39 13.554 7.466 1.303 1.00 55.02 H new ATOM 575 N GLU A 40 10.281 4.013 1.466 1.00 54.32 N ATOM 576 CA GLU A 40 9.533 2.793 1.731 1.00 43.21 C ATOM 577 C GLU A 40 8.075 3.167 2.060 1.00 62.51 C ATOM 578 O GLU A 40 7.649 3.140 3.218 1.00 40.45 O ATOM 579 CB GLU A 40 10.220 1.934 2.809 1.00 15.02 C ATOM 580 CG GLU A 40 11.752 1.794 2.747 1.00 63.12 C ATOM 581 CD GLU A 40 12.514 2.979 3.353 1.00 24.54 C ATOM 582 OE1 GLU A 40 12.346 3.247 4.566 1.00 13.00 O ATOM 583 OE2 GLU A 40 13.425 3.538 2.705 1.00 13.43 O ATOM 0 H GLU A 40 10.114 4.761 2.139 1.00 54.32 H new ATOM 0 HA GLU A 40 9.516 2.159 0.845 1.00 43.21 H new ATOM 0 HB2 GLU A 40 9.961 2.349 3.783 1.00 15.02 H new ATOM 0 HB3 GLU A 40 9.790 0.933 2.764 1.00 15.02 H new ATOM 0 HG2 GLU A 40 12.044 0.883 3.269 1.00 63.12 H new ATOM 0 HG3 GLU A 40 12.054 1.676 1.706 1.00 63.12 H new ATOM 588 N SER A 41 7.319 3.548 1.022 1.00 62.43 N ATOM 589 CA SER A 41 5.925 4.002 1.100 1.00 63.55 C ATOM 590 C SER A 41 5.119 3.353 -0.032 1.00 72.55 C ATOM 591 O SER A 41 5.672 3.027 -1.090 1.00 43.03 O ATOM 592 CB SER A 41 5.895 5.538 0.999 1.00 13.41 C ATOM 593 OG SER A 41 4.720 6.170 1.486 1.00 1.22 O ATOM 0 H SER A 41 7.677 3.548 0.067 1.00 62.43 H new ATOM 0 HA SER A 41 5.477 3.708 2.049 1.00 63.55 H new ATOM 0 HB2 SER A 41 6.751 5.935 1.545 1.00 13.41 H new ATOM 0 HB3 SER A 41 6.027 5.816 -0.047 1.00 13.41 H new ATOM 0 HG SER A 41 4.141 5.502 1.910 1.00 1.22 H new ATOM 598 N LEU A 42 3.814 3.162 0.186 1.00 4.12 N ATOM 599 CA LEU A 42 2.889 2.625 -0.801 1.00 74.34 C ATOM 600 C LEU A 42 1.574 3.371 -0.635 1.00 53.33 C ATOM 601 O LEU A 42 0.981 3.336 0.452 1.00 35.32 O ATOM 602 CB LEU A 42 2.691 1.109 -0.602 1.00 14.12 C ATOM 603 CG LEU A 42 2.109 0.341 -1.821 1.00 15.32 C ATOM 604 CD1 LEU A 42 0.629 0.642 -2.089 1.00 34.54 C ATOM 605 CD2 LEU A 42 2.979 0.573 -3.039 1.00 71.31 C ATOM 0 H LEU A 42 3.367 3.383 1.076 1.00 4.12 H new ATOM 0 HA LEU A 42 3.282 2.761 -1.809 1.00 74.34 H new ATOM 0 HB2 LEU A 42 3.653 0.666 -0.342 1.00 14.12 H new ATOM 0 HB3 LEU A 42 2.029 0.956 0.250 1.00 14.12 H new ATOM 0 HG LEU A 42 2.129 -0.721 -1.576 1.00 15.32 H new ATOM 0 HD11 LEU A 42 0.292 0.071 -2.954 1.00 34.54 H new ATOM 0 HD12 LEU A 42 0.037 0.363 -1.217 1.00 34.54 H new ATOM 0 HD13 LEU A 42 0.504 1.707 -2.287 1.00 34.54 H new ATOM 0 HD21 LEU A 42 2.565 0.032 -3.890 1.00 71.31 H new ATOM 0 HD22 LEU A 42 3.010 1.639 -3.267 1.00 71.31 H new ATOM 0 HD23 LEU A 42 3.989 0.216 -2.838 1.00 71.31 H new ATOM 616 N VAL A 43 1.089 4.019 -1.698 1.00 40.25 N ATOM 617 CA VAL A 43 -0.194 4.724 -1.673 1.00 11.04 C ATOM 618 C VAL A 43 -0.938 4.466 -2.996 1.00 32.32 C ATOM 619 O VAL A 43 -0.308 4.204 -4.032 1.00 0.42 O ATOM 620 CB VAL A 43 0.050 6.229 -1.398 1.00 64.23 C ATOM 621 CG1 VAL A 43 -1.250 6.964 -1.042 1.00 72.34 C ATOM 622 CG2 VAL A 43 1.071 6.532 -0.290 1.00 61.31 C ATOM 0 H VAL A 43 1.572 4.069 -2.595 1.00 40.25 H new ATOM 0 HA VAL A 43 -0.828 4.353 -0.868 1.00 11.04 H new ATOM 0 HB VAL A 43 0.463 6.588 -2.340 1.00 64.23 H new ATOM 0 HG11 VAL A 43 -1.034 8.016 -0.857 1.00 72.34 H new ATOM 0 HG12 VAL A 43 -1.955 6.878 -1.869 1.00 72.34 H new ATOM 0 HG13 VAL A 43 -1.686 6.520 -0.147 1.00 72.34 H new ATOM 0 HG21 VAL A 43 1.172 7.611 -0.173 1.00 61.31 H new ATOM 0 HG22 VAL A 43 0.729 6.096 0.649 1.00 61.31 H new ATOM 0 HG23 VAL A 43 2.037 6.104 -0.559 1.00 61.31 H new ATOM 632 N GLY A 44 -2.277 4.556 -2.996 1.00 3.10 N ATOM 633 CA GLY A 44 -3.037 4.542 -4.248 1.00 53.43 C ATOM 634 C GLY A 44 -4.529 4.219 -4.165 1.00 64.11 C ATOM 635 O GLY A 44 -5.160 4.160 -5.223 1.00 73.41 O ATOM 0 H GLY A 44 -2.846 4.638 -2.154 1.00 3.10 H new ATOM 0 HA2 GLY A 44 -2.930 5.520 -4.717 1.00 53.43 H new ATOM 0 HA3 GLY A 44 -2.572 3.816 -4.915 1.00 53.43 H new ATOM 639 N GLY A 45 -5.106 4.001 -2.974 1.00 3.31 N ATOM 640 CA GLY A 45 -6.458 3.470 -2.864 1.00 41.22 C ATOM 641 C GLY A 45 -6.513 1.947 -3.036 1.00 40.02 C ATOM 642 O GLY A 45 -5.536 1.298 -3.432 1.00 15.22 O ATOM 0 H GLY A 45 -4.652 4.186 -2.079 1.00 3.31 H new ATOM 0 HA2 GLY A 45 -6.870 3.736 -1.891 1.00 41.22 H new ATOM 0 HA3 GLY A 45 -7.090 3.939 -3.617 1.00 41.22 H new ATOM 646 N VAL A 46 -7.658 1.353 -2.702 1.00 71.13 N ATOM 647 CA VAL A 46 -7.923 -0.080 -2.791 1.00 51.20 C ATOM 648 C VAL A 46 -9.394 -0.293 -3.144 1.00 24.45 C ATOM 649 O VAL A 46 -10.271 0.077 -2.372 1.00 44.02 O ATOM 650 CB VAL A 46 -7.521 -0.777 -1.472 1.00 11.13 C ATOM 651 CG1 VAL A 46 -8.124 -0.152 -0.201 1.00 53.40 C ATOM 652 CG2 VAL A 46 -7.768 -2.281 -1.527 1.00 35.53 C ATOM 0 H VAL A 46 -8.457 1.879 -2.348 1.00 71.13 H new ATOM 0 HA VAL A 46 -7.321 -0.531 -3.580 1.00 51.20 H new ATOM 0 HB VAL A 46 -6.448 -0.607 -1.387 1.00 11.13 H new ATOM 0 HG11 VAL A 46 -7.786 -0.708 0.673 1.00 53.40 H new ATOM 0 HG12 VAL A 46 -7.802 0.886 -0.118 1.00 53.40 H new ATOM 0 HG13 VAL A 46 -9.212 -0.191 -0.257 1.00 53.40 H new ATOM 0 HG21 VAL A 46 -7.472 -2.733 -0.580 1.00 35.53 H new ATOM 0 HG22 VAL A 46 -8.827 -2.470 -1.704 1.00 35.53 H new ATOM 0 HG23 VAL A 46 -7.182 -2.717 -2.336 1.00 35.53 H new ATOM 662 N ILE A 47 -9.685 -0.868 -4.305 1.00 4.45 N ATOM 663 CA ILE A 47 -11.045 -1.113 -4.762 1.00 35.13 C ATOM 664 C ILE A 47 -11.454 -2.491 -4.224 1.00 0.22 C ATOM 665 O ILE A 47 -10.815 -3.489 -4.565 1.00 3.43 O ATOM 666 CB ILE A 47 -11.067 -1.014 -6.305 1.00 43.24 C ATOM 667 CG1 ILE A 47 -10.629 0.394 -6.794 1.00 4.12 C ATOM 668 CG2 ILE A 47 -12.476 -1.285 -6.840 1.00 24.31 C ATOM 669 CD1 ILE A 47 -9.160 0.468 -7.234 1.00 53.04 C ATOM 0 H ILE A 47 -8.972 -1.181 -4.964 1.00 4.45 H new ATOM 0 HA ILE A 47 -11.764 -0.381 -4.395 1.00 35.13 H new ATOM 0 HB ILE A 47 -10.367 -1.761 -6.680 1.00 43.24 H new ATOM 0 HG12 ILE A 47 -11.264 0.692 -7.628 1.00 4.12 H new ATOM 0 HG13 ILE A 47 -10.795 1.115 -5.993 1.00 4.12 H new ATOM 0 HG21 ILE A 47 -12.473 -1.211 -7.927 1.00 24.31 H new ATOM 0 HG22 ILE A 47 -12.791 -2.286 -6.545 1.00 24.31 H new ATOM 0 HG23 ILE A 47 -13.169 -0.551 -6.429 1.00 24.31 H new ATOM 0 HD11 ILE A 47 -8.929 1.482 -7.562 1.00 53.04 H new ATOM 0 HD12 ILE A 47 -8.515 0.202 -6.396 1.00 53.04 H new ATOM 0 HD13 ILE A 47 -8.991 -0.227 -8.057 1.00 53.04 H new ATOM 680 N PHE A 48 -12.456 -2.566 -3.346 1.00 53.13 N ATOM 681 CA PHE A 48 -13.002 -3.818 -2.817 1.00 14.22 C ATOM 682 C PHE A 48 -14.066 -4.402 -3.742 1.00 32.35 C ATOM 683 O PHE A 48 -14.728 -3.679 -4.482 1.00 42.41 O ATOM 684 CB PHE A 48 -13.597 -3.580 -1.425 1.00 0.41 C ATOM 685 CG PHE A 48 -12.674 -3.814 -0.246 1.00 13.44 C ATOM 686 CD1 PHE A 48 -11.282 -3.625 -0.347 1.00 72.30 C ATOM 687 CD2 PHE A 48 -13.226 -4.234 0.978 1.00 33.53 C ATOM 688 CE1 PHE A 48 -10.465 -3.809 0.781 1.00 74.34 C ATOM 689 CE2 PHE A 48 -12.405 -4.444 2.092 1.00 12.21 C ATOM 690 CZ PHE A 48 -11.030 -4.219 1.997 1.00 4.02 C ATOM 0 H PHE A 48 -12.922 -1.738 -2.974 1.00 53.13 H new ATOM 0 HA PHE A 48 -12.185 -4.537 -2.749 1.00 14.22 H new ATOM 0 HB2 PHE A 48 -13.956 -2.552 -1.379 1.00 0.41 H new ATOM 0 HB3 PHE A 48 -14.467 -4.227 -1.311 1.00 0.41 H new ATOM 0 HD1 PHE A 48 -10.843 -3.339 -1.291 1.00 72.30 H new ATOM 0 HD2 PHE A 48 -14.291 -4.396 1.059 1.00 33.53 H new ATOM 0 HE1 PHE A 48 -9.401 -3.635 0.711 1.00 74.34 H new ATOM 0 HE2 PHE A 48 -12.835 -4.780 3.024 1.00 12.21 H new ATOM 0 HZ PHE A 48 -10.400 -4.361 2.863 1.00 4.02 H new ATOM 699 N GLU A 49 -14.281 -5.713 -3.619 1.00 60.24 N ATOM 700 CA GLU A 49 -15.306 -6.462 -4.351 1.00 4.21 C ATOM 701 C GLU A 49 -16.710 -5.940 -4.016 1.00 40.22 C ATOM 702 O GLU A 49 -17.573 -5.854 -4.893 1.00 60.42 O ATOM 703 CB GLU A 49 -15.148 -7.959 -4.032 1.00 72.51 C ATOM 704 CG GLU A 49 -14.447 -8.761 -5.135 1.00 21.43 C ATOM 705 CD GLU A 49 -15.427 -9.125 -6.248 1.00 1.22 C ATOM 706 OE1 GLU A 49 -15.957 -8.200 -6.904 1.00 14.35 O ATOM 707 OE2 GLU A 49 -15.717 -10.327 -6.411 1.00 74.24 O ATOM 0 H GLU A 49 -13.732 -6.300 -2.990 1.00 60.24 H new ATOM 0 HA GLU A 49 -15.175 -6.321 -5.424 1.00 4.21 H new ATOM 0 HB2 GLU A 49 -14.584 -8.065 -3.105 1.00 72.51 H new ATOM 0 HB3 GLU A 49 -16.134 -8.388 -3.856 1.00 72.51 H new ATOM 0 HG2 GLU A 49 -13.623 -8.178 -5.546 1.00 21.43 H new ATOM 0 HG3 GLU A 49 -14.016 -9.669 -4.713 1.00 21.43 H new ATOM 712 N ASP A 50 -16.918 -5.491 -2.772 1.00 0.34 N ATOM 713 CA ASP A 50 -18.202 -4.952 -2.289 1.00 12.45 C ATOM 714 C ASP A 50 -18.290 -3.437 -2.584 1.00 61.32 C ATOM 715 O ASP A 50 -19.005 -2.686 -1.924 1.00 73.31 O ATOM 716 CB ASP A 50 -18.369 -5.265 -0.786 1.00 35.34 C ATOM 717 CG ASP A 50 -19.851 -5.406 -0.407 1.00 31.23 C ATOM 718 OD1 ASP A 50 -20.338 -6.540 -0.591 1.00 41.01 O ATOM 719 OD2 ASP A 50 -20.527 -4.443 0.033 1.00 62.23 O ATOM 0 H ASP A 50 -16.189 -5.491 -2.059 1.00 0.34 H new ATOM 0 HA ASP A 50 -19.025 -5.432 -2.819 1.00 12.45 H new ATOM 0 HB2 ASP A 50 -17.840 -6.187 -0.543 1.00 35.34 H new ATOM 0 HB3 ASP A 50 -17.914 -4.471 -0.194 1.00 35.34 H new ATOM 723 N GLY A 51 -17.473 -2.937 -3.520 1.00 34.11 N ATOM 724 CA GLY A 51 -17.498 -1.556 -4.001 1.00 64.10 C ATOM 725 C GLY A 51 -16.939 -0.537 -3.006 1.00 20.35 C ATOM 726 O GLY A 51 -17.087 0.666 -3.201 1.00 43.24 O ATOM 0 H GLY A 51 -16.756 -3.502 -3.975 1.00 34.11 H new ATOM 0 HA2 GLY A 51 -16.926 -1.495 -4.927 1.00 64.10 H new ATOM 0 HA3 GLY A 51 -18.526 -1.285 -4.243 1.00 64.10 H new ATOM 730 N ARG A 52 -16.300 -1.004 -1.932 1.00 73.13 N ATOM 731 CA ARG A 52 -15.719 -0.200 -0.867 1.00 75.21 C ATOM 732 C ARG A 52 -14.300 0.293 -1.146 1.00 15.25 C ATOM 733 O ARG A 52 -13.324 -0.366 -0.787 1.00 4.21 O ATOM 734 CB ARG A 52 -15.987 -0.765 0.536 1.00 4.02 C ATOM 735 CG ARG A 52 -16.316 -2.243 0.576 1.00 34.41 C ATOM 736 CD ARG A 52 -16.451 -2.792 1.997 1.00 55.42 C ATOM 737 NE ARG A 52 -17.634 -2.260 2.688 1.00 73.20 N ATOM 738 CZ ARG A 52 -17.887 -2.399 3.995 1.00 23.12 C ATOM 739 NH1 ARG A 52 -17.035 -3.014 4.808 1.00 54.02 N ATOM 740 NH2 ARG A 52 -19.004 -1.905 4.508 1.00 34.13 N ATOM 0 H ARG A 52 -16.170 -2.004 -1.778 1.00 73.13 H new ATOM 0 HA ARG A 52 -16.276 0.737 -0.865 1.00 75.21 H new ATOM 0 HB2 ARG A 52 -15.110 -0.586 1.158 1.00 4.02 H new ATOM 0 HB3 ARG A 52 -16.813 -0.212 0.983 1.00 4.02 H new ATOM 0 HG2 ARG A 52 -17.247 -2.416 0.037 1.00 34.41 H new ATOM 0 HG3 ARG A 52 -15.537 -2.796 0.052 1.00 34.41 H new ATOM 0 HD2 ARG A 52 -16.513 -3.880 1.960 1.00 55.42 H new ATOM 0 HD3 ARG A 52 -15.556 -2.543 2.568 1.00 55.42 H new ATOM 0 HE ARG A 52 -18.314 -1.745 2.129 1.00 73.20 H new ATOM 0 HH11 ARG A 52 -16.163 -3.394 4.440 1.00 54.02 H new ATOM 0 HH12 ARG A 52 -17.253 -3.106 5.800 1.00 54.02 H new ATOM 0 HH21 ARG A 52 -19.670 -1.419 3.907 1.00 34.13 H new ATOM 0 HH22 ARG A 52 -19.198 -2.010 5.504 1.00 34.13 H new ATOM 751 N HIS A 53 -14.177 1.436 -1.811 1.00 32.52 N ATOM 752 CA HIS A 53 -12.899 2.084 -2.098 1.00 34.23 C ATOM 753 C HIS A 53 -12.428 2.872 -0.869 1.00 43.30 C ATOM 754 O HIS A 53 -13.197 3.672 -0.321 1.00 12.15 O ATOM 755 CB HIS A 53 -13.017 2.975 -3.342 1.00 31.11 C ATOM 756 CG HIS A 53 -11.722 3.326 -4.045 1.00 41.22 C ATOM 757 ND1 HIS A 53 -11.655 3.988 -5.243 1.00 73.10 N ATOM 758 CD2 HIS A 53 -10.435 3.017 -3.695 1.00 3.25 C ATOM 759 CE1 HIS A 53 -10.374 4.051 -5.628 1.00 52.40 C ATOM 760 NE2 HIS A 53 -9.579 3.480 -4.703 1.00 4.21 N ATOM 0 H HIS A 53 -14.979 1.951 -2.174 1.00 32.52 H new ATOM 0 HA HIS A 53 -12.148 1.325 -2.316 1.00 34.23 H new ATOM 0 HB2 HIS A 53 -13.670 2.477 -4.058 1.00 31.11 H new ATOM 0 HB3 HIS A 53 -13.511 3.903 -3.052 1.00 31.11 H new ATOM 0 HD1 HIS A 53 -12.449 4.370 -5.756 1.00 73.10 H new ATOM 0 HD2 HIS A 53 -10.131 2.504 -2.795 1.00 3.25 H new ATOM 0 HE1 HIS A 53 -10.028 4.496 -6.549 1.00 52.40 H new ATOM 767 N TYR A 54 -11.189 2.618 -0.425 1.00 3.15 N ATOM 768 CA TYR A 54 -10.546 3.339 0.676 1.00 71.24 C ATOM 769 C TYR A 54 -9.126 3.782 0.307 1.00 60.33 C ATOM 770 O TYR A 54 -8.370 3.009 -0.287 1.00 40.00 O ATOM 771 CB TYR A 54 -10.503 2.463 1.934 1.00 62.12 C ATOM 772 CG TYR A 54 -11.816 2.394 2.689 1.00 13.34 C ATOM 773 CD1 TYR A 54 -12.903 1.668 2.169 1.00 52.33 C ATOM 774 CD2 TYR A 54 -11.963 3.103 3.895 1.00 35.24 C ATOM 775 CE1 TYR A 54 -14.123 1.617 2.859 1.00 12.44 C ATOM 776 CE2 TYR A 54 -13.189 3.082 4.579 1.00 14.14 C ATOM 777 CZ TYR A 54 -14.262 2.317 4.073 1.00 21.11 C ATOM 778 OH TYR A 54 -15.421 2.236 4.767 1.00 43.22 O ATOM 0 H TYR A 54 -10.597 1.892 -0.830 1.00 3.15 H new ATOM 0 HA TYR A 54 -11.140 4.231 0.874 1.00 71.24 H new ATOM 0 HB2 TYR A 54 -10.207 1.453 1.650 1.00 62.12 H new ATOM 0 HB3 TYR A 54 -9.732 2.845 2.603 1.00 62.12 H new ATOM 0 HD1 TYR A 54 -12.797 1.145 1.230 1.00 52.33 H new ATOM 0 HD2 TYR A 54 -11.132 3.664 4.295 1.00 35.24 H new ATOM 0 HE1 TYR A 54 -14.949 1.045 2.462 1.00 12.44 H new ATOM 0 HE2 TYR A 54 -13.311 3.650 5.490 1.00 14.14 H new ATOM 0 HH TYR A 54 -15.949 3.048 4.618 1.00 43.22 H new ATOM 787 N THR A 55 -8.729 4.998 0.694 1.00 14.22 N ATOM 788 CA THR A 55 -7.398 5.554 0.467 1.00 4.31 C ATOM 789 C THR A 55 -6.483 5.027 1.575 1.00 74.32 C ATOM 790 O THR A 55 -6.326 5.657 2.624 1.00 51.01 O ATOM 791 CB THR A 55 -7.448 7.100 0.427 1.00 12.02 C ATOM 792 OG1 THR A 55 -8.153 7.638 1.528 1.00 33.41 O ATOM 793 CG2 THR A 55 -8.143 7.628 -0.825 1.00 21.23 C ATOM 0 H THR A 55 -9.347 5.640 1.189 1.00 14.22 H new ATOM 0 HA THR A 55 -7.006 5.243 -0.501 1.00 4.31 H new ATOM 0 HB THR A 55 -6.403 7.409 0.445 1.00 12.02 H new ATOM 0 HG1 THR A 55 -7.847 7.208 2.354 1.00 33.41 H new ATOM 0 HG21 THR A 55 -8.151 8.718 -0.804 1.00 21.23 H new ATOM 0 HG22 THR A 55 -7.607 7.286 -1.710 1.00 21.23 H new ATOM 0 HG23 THR A 55 -9.168 7.258 -0.856 1.00 21.23 H new ATOM 801 N PHE A 56 -5.915 3.843 1.350 1.00 52.41 N ATOM 802 CA PHE A 56 -4.735 3.402 2.066 1.00 11.43 C ATOM 803 C PHE A 56 -3.577 4.309 1.676 1.00 64.42 C ATOM 804 O PHE A 56 -3.292 4.510 0.487 1.00 53.21 O ATOM 805 CB PHE A 56 -4.441 1.922 1.789 1.00 52.31 C ATOM 806 CG PHE A 56 -4.556 0.984 2.976 1.00 14.32 C ATOM 807 CD1 PHE A 56 -5.630 1.078 3.883 1.00 11.24 C ATOM 808 CD2 PHE A 56 -3.639 -0.073 3.100 1.00 40.33 C ATOM 809 CE1 PHE A 56 -5.768 0.129 4.913 1.00 23.31 C ATOM 810 CE2 PHE A 56 -3.795 -1.043 4.104 1.00 3.42 C ATOM 811 CZ PHE A 56 -4.856 -0.937 5.019 1.00 53.45 C ATOM 0 H PHE A 56 -6.264 3.170 0.667 1.00 52.41 H new ATOM 0 HA PHE A 56 -4.895 3.476 3.142 1.00 11.43 H new ATOM 0 HB2 PHE A 56 -5.123 1.577 1.012 1.00 52.31 H new ATOM 0 HB3 PHE A 56 -3.431 1.843 1.386 1.00 52.31 H new ATOM 0 HD1 PHE A 56 -6.348 1.879 3.788 1.00 11.24 H new ATOM 0 HD2 PHE A 56 -2.806 -0.141 2.416 1.00 40.33 H new ATOM 0 HE1 PHE A 56 -6.576 0.219 5.624 1.00 23.31 H new ATOM 0 HE2 PHE A 56 -3.101 -1.868 4.172 1.00 3.42 H new ATOM 0 HZ PHE A 56 -4.971 -1.672 5.802 1.00 53.45 H new ATOM 820 N VAL A 57 -2.910 4.819 2.703 1.00 23.15 N ATOM 821 CA VAL A 57 -1.658 5.545 2.649 1.00 0.13 C ATOM 822 C VAL A 57 -0.790 4.878 3.711 1.00 13.01 C ATOM 823 O VAL A 57 -1.190 4.788 4.873 1.00 73.11 O ATOM 824 CB VAL A 57 -1.896 7.065 2.837 1.00 0.32 C ATOM 825 CG1 VAL A 57 -2.706 7.429 4.088 1.00 44.44 C ATOM 826 CG2 VAL A 57 -0.589 7.871 2.867 1.00 55.13 C ATOM 0 H VAL A 57 -3.257 4.728 3.658 1.00 23.15 H new ATOM 0 HA VAL A 57 -1.152 5.498 1.685 1.00 0.13 H new ATOM 0 HB VAL A 57 -2.483 7.334 1.959 1.00 0.32 H new ATOM 0 HG11 VAL A 57 -2.826 8.511 4.142 1.00 44.44 H new ATOM 0 HG12 VAL A 57 -3.687 6.958 4.036 1.00 44.44 H new ATOM 0 HG13 VAL A 57 -2.181 7.077 4.976 1.00 44.44 H new ATOM 0 HG21 VAL A 57 -0.817 8.929 3.001 1.00 55.13 H new ATOM 0 HG22 VAL A 57 0.032 7.526 3.694 1.00 55.13 H new ATOM 0 HG23 VAL A 57 -0.054 7.731 1.928 1.00 55.13 H new ATOM 836 N TYR A 58 0.332 4.300 3.284 1.00 42.11 N ATOM 837 CA TYR A 58 1.347 3.745 4.169 1.00 24.20 C ATOM 838 C TYR A 58 2.597 4.606 4.065 1.00 21.41 C ATOM 839 O TYR A 58 3.260 4.585 3.024 1.00 20.23 O ATOM 840 CB TYR A 58 1.682 2.283 3.813 1.00 32.54 C ATOM 841 CG TYR A 58 2.612 1.633 4.830 1.00 15.13 C ATOM 842 CD1 TYR A 58 2.285 1.672 6.202 1.00 51.45 C ATOM 843 CD2 TYR A 58 3.817 1.025 4.424 1.00 51.04 C ATOM 844 CE1 TYR A 58 3.136 1.102 7.161 1.00 21.52 C ATOM 845 CE2 TYR A 58 4.685 0.463 5.380 1.00 21.24 C ATOM 846 CZ TYR A 58 4.345 0.499 6.753 1.00 4.41 C ATOM 847 OH TYR A 58 5.194 0.001 7.690 1.00 23.30 O ATOM 0 H TYR A 58 0.562 4.204 2.295 1.00 42.11 H new ATOM 0 HA TYR A 58 0.962 3.747 5.189 1.00 24.20 H new ATOM 0 HB2 TYR A 58 0.759 1.707 3.750 1.00 32.54 H new ATOM 0 HB3 TYR A 58 2.146 2.250 2.827 1.00 32.54 H new ATOM 0 HD1 TYR A 58 1.368 2.147 6.518 1.00 51.45 H new ATOM 0 HD2 TYR A 58 4.076 0.990 3.376 1.00 51.04 H new ATOM 0 HE1 TYR A 58 2.867 1.125 8.207 1.00 21.52 H new ATOM 0 HE2 TYR A 58 5.611 0.004 5.065 1.00 21.24 H new ATOM 0 HH TYR A 58 6.021 0.527 7.695 1.00 23.30 H new ATOM 856 N GLU A 59 2.914 5.354 5.116 1.00 34.43 N ATOM 857 CA GLU A 59 4.207 5.987 5.286 1.00 31.14 C ATOM 858 C GLU A 59 4.877 5.292 6.450 1.00 51.02 C ATOM 859 O GLU A 59 4.330 5.298 7.548 1.00 23.11 O ATOM 860 CB GLU A 59 4.057 7.482 5.589 1.00 20.42 C ATOM 861 CG GLU A 59 5.382 8.159 5.952 1.00 24.12 C ATOM 862 CD GLU A 59 6.351 8.095 4.764 1.00 43.41 C ATOM 863 OE1 GLU A 59 7.011 7.044 4.540 1.00 43.32 O ATOM 864 OE2 GLU A 59 6.425 9.093 4.009 1.00 15.23 O ATOM 0 H GLU A 59 2.267 5.537 5.883 1.00 34.43 H new ATOM 0 HA GLU A 59 4.795 5.902 4.372 1.00 31.14 H new ATOM 0 HB2 GLU A 59 3.627 7.981 4.720 1.00 20.42 H new ATOM 0 HB3 GLU A 59 3.353 7.611 6.411 1.00 20.42 H new ATOM 0 HG2 GLU A 59 5.204 9.198 6.230 1.00 24.12 H new ATOM 0 HG3 GLU A 59 5.824 7.668 6.819 1.00 24.12 H new ATOM 869 N ASN A 60 6.080 4.779 6.221 1.00 64.13 N ATOM 870 CA ASN A 60 7.027 4.352 7.235 1.00 13.40 C ATOM 871 C ASN A 60 6.479 3.264 8.156 1.00 71.45 C ATOM 872 O ASN A 60 6.816 2.106 7.930 1.00 60.54 O ATOM 873 CB ASN A 60 7.557 5.580 7.987 1.00 35.50 C ATOM 874 CG ASN A 60 8.851 5.325 8.764 1.00 51.03 C ATOM 875 OD1 ASN A 60 9.321 4.093 8.928 1.00 41.01 O flip ATOM 876 ND2 ASN A 60 9.444 6.277 9.265 1.00 61.35 N flip ATOM 0 H ASN A 60 6.436 4.644 5.275 1.00 64.13 H new ATOM 0 HA ASN A 60 7.868 3.870 6.737 1.00 13.40 H new ATOM 0 HB2 ASN A 60 7.727 6.385 7.272 1.00 35.50 H new ATOM 0 HB3 ASN A 60 6.791 5.927 8.681 1.00 35.50 H new ATOM 0 HD21 ASN A 60 9.085 7.224 9.141 1.00 61.35 H new ATOM 0 HD22 ASN A 60 10.295 6.121 9.805 1.00 61.35 H new ATOM 882 N GLU A 61 5.699 3.620 9.183 1.00 63.15 N ATOM 883 CA GLU A 61 4.979 2.719 10.083 1.00 32.22 C ATOM 884 C GLU A 61 3.538 3.196 10.357 1.00 74.31 C ATOM 885 O GLU A 61 2.802 2.487 11.046 1.00 72.53 O ATOM 886 CB GLU A 61 5.726 2.490 11.415 1.00 42.24 C ATOM 887 CG GLU A 61 7.209 2.102 11.269 1.00 40.22 C ATOM 888 CD GLU A 61 7.689 1.022 12.237 1.00 45.24 C ATOM 889 OE1 GLU A 61 7.360 1.060 13.444 1.00 42.12 O ATOM 890 OE2 GLU A 61 8.431 0.119 11.783 1.00 51.15 O ATOM 0 H GLU A 61 5.546 4.600 9.420 1.00 63.15 H new ATOM 0 HA GLU A 61 4.928 1.764 9.560 1.00 32.22 H new ATOM 0 HB2 GLU A 61 5.661 3.399 12.012 1.00 42.24 H new ATOM 0 HB3 GLU A 61 5.213 1.706 11.972 1.00 42.24 H new ATOM 0 HG2 GLU A 61 7.381 1.758 10.249 1.00 40.22 H new ATOM 0 HG3 GLU A 61 7.819 2.994 11.411 1.00 40.22 H new ATOM 895 N ASP A 62 3.099 4.351 9.837 1.00 12.43 N ATOM 896 CA ASP A 62 1.735 4.872 9.987 1.00 60.34 C ATOM 897 C ASP A 62 0.896 4.510 8.768 1.00 20.50 C ATOM 898 O ASP A 62 1.197 4.912 7.638 1.00 11.30 O ATOM 899 CB ASP A 62 1.675 6.391 10.188 1.00 64.13 C ATOM 900 CG ASP A 62 0.209 6.849 10.322 1.00 60.52 C ATOM 901 OD1 ASP A 62 -0.589 6.155 11.001 1.00 34.32 O ATOM 902 OD2 ASP A 62 -0.168 7.876 9.719 1.00 75.11 O ATOM 0 H ASP A 62 3.700 4.964 9.286 1.00 12.43 H new ATOM 0 HA ASP A 62 1.338 4.406 10.889 1.00 60.34 H new ATOM 0 HB2 ASP A 62 2.235 6.670 11.081 1.00 64.13 H new ATOM 0 HB3 ASP A 62 2.147 6.896 9.345 1.00 64.13 H new ATOM 906 N LEU A 63 -0.164 3.744 9.004 1.00 61.22 N ATOM 907 CA LEU A 63 -1.082 3.243 7.997 1.00 63.45 C ATOM 908 C LEU A 63 -2.465 3.808 8.290 1.00 33.13 C ATOM 909 O LEU A 63 -3.060 3.473 9.322 1.00 22.54 O ATOM 910 CB LEU A 63 -1.076 1.709 8.034 1.00 32.44 C ATOM 911 CG LEU A 63 -1.939 1.059 6.946 1.00 43.02 C ATOM 912 CD1 LEU A 63 -1.381 1.268 5.537 1.00 72.44 C ATOM 913 CD2 LEU A 63 -1.999 -0.433 7.251 1.00 31.41 C ATOM 0 H LEU A 63 -0.415 3.444 9.946 1.00 61.22 H new ATOM 0 HA LEU A 63 -0.783 3.555 6.996 1.00 63.45 H new ATOM 0 HB2 LEU A 63 -0.050 1.357 7.929 1.00 32.44 H new ATOM 0 HB3 LEU A 63 -1.429 1.377 9.011 1.00 32.44 H new ATOM 0 HG LEU A 63 -2.925 1.523 6.959 1.00 43.02 H new ATOM 0 HD11 LEU A 63 -2.035 0.785 4.811 1.00 72.44 H new ATOM 0 HD12 LEU A 63 -1.326 2.335 5.322 1.00 72.44 H new ATOM 0 HD13 LEU A 63 -0.384 0.833 5.472 1.00 72.44 H new ATOM 0 HD21 LEU A 63 -2.606 -0.934 6.497 1.00 31.41 H new ATOM 0 HD22 LEU A 63 -0.991 -0.848 7.240 1.00 31.41 H new ATOM 0 HD23 LEU A 63 -2.443 -0.586 8.235 1.00 31.41 H new ATOM 924 N VAL A 64 -2.978 4.653 7.399 1.00 52.24 N ATOM 925 CA VAL A 64 -4.267 5.320 7.564 1.00 22.35 C ATOM 926 C VAL A 64 -5.197 4.838 6.452 1.00 44.31 C ATOM 927 O VAL A 64 -4.758 4.412 5.379 1.00 53.44 O ATOM 928 CB VAL A 64 -4.071 6.854 7.590 1.00 15.23 C ATOM 929 CG1 VAL A 64 -5.371 7.651 7.790 1.00 74.23 C ATOM 930 CG2 VAL A 64 -3.111 7.268 8.708 1.00 22.32 C ATOM 0 H VAL A 64 -2.503 4.897 6.530 1.00 52.24 H new ATOM 0 HA VAL A 64 -4.730 5.066 8.517 1.00 22.35 H new ATOM 0 HB VAL A 64 -3.668 7.091 6.605 1.00 15.23 H new ATOM 0 HG11 VAL A 64 -5.147 8.718 7.796 1.00 74.23 H new ATOM 0 HG12 VAL A 64 -6.062 7.430 6.976 1.00 74.23 H new ATOM 0 HG13 VAL A 64 -5.827 7.371 8.739 1.00 74.23 H new ATOM 0 HG21 VAL A 64 -2.992 8.351 8.703 1.00 22.32 H new ATOM 0 HG22 VAL A 64 -3.515 6.952 9.670 1.00 22.32 H new ATOM 0 HG23 VAL A 64 -2.142 6.796 8.549 1.00 22.32 H new ATOM 940 N TYR A 65 -6.498 4.931 6.717 1.00 64.43 N ATOM 941 CA TYR A 65 -7.589 4.603 5.820 1.00 31.32 C ATOM 942 C TYR A 65 -8.679 5.660 5.983 1.00 15.05 C ATOM 943 O TYR A 65 -8.778 6.289 7.038 1.00 2.03 O ATOM 944 CB TYR A 65 -8.117 3.197 6.159 1.00 71.22 C ATOM 945 CG TYR A 65 -8.275 2.866 7.640 1.00 43.42 C ATOM 946 CD1 TYR A 65 -9.261 3.500 8.422 1.00 41.23 C ATOM 947 CD2 TYR A 65 -7.421 1.920 8.242 1.00 71.54 C ATOM 948 CE1 TYR A 65 -9.386 3.204 9.789 1.00 41.20 C ATOM 949 CE2 TYR A 65 -7.570 1.588 9.599 1.00 35.53 C ATOM 950 CZ TYR A 65 -8.555 2.229 10.380 1.00 51.12 C ATOM 951 OH TYR A 65 -8.705 1.899 11.691 1.00 32.43 O ATOM 0 H TYR A 65 -6.833 5.259 7.623 1.00 64.43 H new ATOM 0 HA TYR A 65 -7.255 4.597 4.782 1.00 31.32 H new ATOM 0 HB2 TYR A 65 -9.086 3.071 5.676 1.00 71.22 H new ATOM 0 HB3 TYR A 65 -7.443 2.464 5.716 1.00 71.22 H new ATOM 0 HD1 TYR A 65 -9.926 4.219 7.966 1.00 41.23 H new ATOM 0 HD2 TYR A 65 -6.647 1.447 7.656 1.00 71.54 H new ATOM 0 HE1 TYR A 65 -10.119 3.723 10.389 1.00 41.20 H new ATOM 0 HE2 TYR A 65 -6.930 0.841 10.045 1.00 35.53 H new ATOM 0 HH TYR A 65 -8.051 1.210 11.932 1.00 32.43 H new ATOM 960 N GLU A 66 -9.515 5.828 4.961 1.00 14.35 N ATOM 961 CA GLU A 66 -10.761 6.599 4.923 1.00 53.34 C ATOM 962 C GLU A 66 -11.388 6.347 3.542 1.00 14.31 C ATOM 963 O GLU A 66 -10.773 5.658 2.723 1.00 12.41 O ATOM 964 CB GLU A 66 -10.530 8.092 5.191 1.00 34.51 C ATOM 965 CG GLU A 66 -9.632 8.735 4.140 1.00 42.13 C ATOM 966 CD GLU A 66 -9.114 10.074 4.616 1.00 44.42 C ATOM 967 OE1 GLU A 66 -9.923 10.941 5.009 1.00 23.55 O ATOM 968 OE2 GLU A 66 -7.873 10.244 4.622 1.00 24.52 O ATOM 0 H GLU A 66 -9.324 5.391 4.059 1.00 14.35 H new ATOM 0 HA GLU A 66 -11.435 6.277 5.717 1.00 53.34 H new ATOM 0 HB2 GLU A 66 -11.490 8.608 5.211 1.00 34.51 H new ATOM 0 HB3 GLU A 66 -10.080 8.217 6.176 1.00 34.51 H new ATOM 0 HG2 GLU A 66 -8.794 8.074 3.919 1.00 42.13 H new ATOM 0 HG3 GLU A 66 -10.188 8.865 3.212 1.00 42.13 H new ATOM 973 N GLU A 67 -12.609 6.822 3.307 1.00 12.33 N ATOM 974 CA GLU A 67 -13.509 6.334 2.263 1.00 33.55 C ATOM 975 C GLU A 67 -13.570 7.341 1.105 1.00 15.45 C ATOM 976 O GLU A 67 -13.675 8.541 1.359 1.00 1.03 O ATOM 977 CB GLU A 67 -14.863 6.095 2.960 1.00 14.34 C ATOM 978 CG GLU A 67 -15.976 5.549 2.053 1.00 32.24 C ATOM 979 CD GLU A 67 -16.994 4.665 2.794 1.00 54.22 C ATOM 980 OE1 GLU A 67 -17.141 4.737 4.030 1.00 13.44 O ATOM 981 OE2 GLU A 67 -17.656 3.825 2.117 1.00 51.12 O ATOM 0 H GLU A 67 -13.013 7.582 3.855 1.00 12.33 H new ATOM 0 HA GLU A 67 -13.172 5.405 1.804 1.00 33.55 H new ATOM 0 HB2 GLU A 67 -14.712 5.397 3.784 1.00 14.34 H new ATOM 0 HB3 GLU A 67 -15.200 7.035 3.397 1.00 14.34 H new ATOM 0 HG2 GLU A 67 -16.501 6.386 1.592 1.00 32.24 H new ATOM 0 HG3 GLU A 67 -15.525 4.972 1.246 1.00 32.24 H new ATOM 986 N GLU A 68 -13.464 6.880 -0.152 1.00 44.01 N ATOM 987 CA GLU A 68 -13.465 7.786 -1.308 1.00 35.54 C ATOM 988 C GLU A 68 -14.822 8.467 -1.453 1.00 51.22 C ATOM 989 O GLU A 68 -15.840 7.774 -1.400 1.00 61.34 O ATOM 990 CB GLU A 68 -13.173 7.040 -2.629 1.00 52.00 C ATOM 991 CG GLU A 68 -12.430 7.976 -3.594 1.00 21.43 C ATOM 992 CD GLU A 68 -11.990 7.302 -4.893 1.00 2.11 C ATOM 993 OE1 GLU A 68 -12.852 6.874 -5.697 1.00 72.13 O ATOM 994 OE2 GLU A 68 -10.761 7.269 -5.147 1.00 31.32 O ATOM 0 H GLU A 68 -13.377 5.892 -0.391 1.00 44.01 H new ATOM 0 HA GLU A 68 -12.679 8.519 -1.125 1.00 35.54 H new ATOM 0 HB2 GLU A 68 -12.572 6.152 -2.432 1.00 52.00 H new ATOM 0 HB3 GLU A 68 -14.105 6.700 -3.081 1.00 52.00 H new ATOM 0 HG2 GLU A 68 -13.075 8.821 -3.835 1.00 21.43 H new ATOM 0 HG3 GLU A 68 -11.552 8.379 -3.090 1.00 21.43 H new ATOM 999 N VAL A 69 -14.850 9.771 -1.743 1.00 64.23 N ATOM 1000 CA VAL A 69 -16.056 10.496 -2.126 1.00 24.33 C ATOM 1001 C VAL A 69 -15.651 11.517 -3.195 1.00 75.31 C ATOM 1002 O VAL A 69 -15.097 12.570 -2.869 1.00 44.14 O ATOM 1003 CB VAL A 69 -16.738 11.120 -0.887 1.00 52.21 C ATOM 1004 CG1 VAL A 69 -18.050 11.805 -1.296 1.00 44.31 C ATOM 1005 CG2 VAL A 69 -17.057 10.056 0.178 1.00 41.43 C ATOM 0 H VAL A 69 -14.017 10.360 -1.716 1.00 64.23 H new ATOM 0 HA VAL A 69 -16.809 9.832 -2.551 1.00 24.33 H new ATOM 0 HB VAL A 69 -16.043 11.847 -0.466 1.00 52.21 H new ATOM 0 HG11 VAL A 69 -18.522 12.241 -0.416 1.00 44.31 H new ATOM 0 HG12 VAL A 69 -17.839 12.591 -2.022 1.00 44.31 H new ATOM 0 HG13 VAL A 69 -18.721 11.070 -1.741 1.00 44.31 H new ATOM 0 HG21 VAL A 69 -17.536 10.531 1.035 1.00 41.43 H new ATOM 0 HG22 VAL A 69 -17.728 9.308 -0.244 1.00 41.43 H new ATOM 0 HG23 VAL A 69 -16.133 9.574 0.499 1.00 41.43 H new ATOM 1015 N LEU A 70 -15.884 11.184 -4.473 1.00 52.14 N ATOM 1016 CA LEU A 70 -15.500 11.963 -5.661 1.00 21.13 C ATOM 1017 C LEU A 70 -16.605 11.877 -6.709 1.00 24.45 C ATOM 1018 O LEU A 70 -16.345 11.872 -7.932 1.00 73.21 O ATOM 1019 CB LEU A 70 -14.160 11.443 -6.224 1.00 61.53 C ATOM 1020 CG LEU A 70 -12.957 11.647 -5.293 1.00 15.22 C ATOM 1021 CD1 LEU A 70 -11.720 11.042 -5.941 1.00 22.14 C ATOM 1022 CD2 LEU A 70 -12.682 13.127 -5.045 1.00 11.32 C ATOM 0 H LEU A 70 -16.369 10.321 -4.719 1.00 52.14 H new ATOM 0 HA LEU A 70 -15.367 13.009 -5.384 1.00 21.13 H new ATOM 0 HB2 LEU A 70 -14.260 10.379 -6.441 1.00 61.53 H new ATOM 0 HB3 LEU A 70 -13.959 11.944 -7.171 1.00 61.53 H new ATOM 0 HG LEU A 70 -13.186 11.166 -4.342 1.00 15.22 H new ATOM 0 HD11 LEU A 70 -10.860 11.183 -5.286 1.00 22.14 H new ATOM 0 HD12 LEU A 70 -11.880 9.977 -6.106 1.00 22.14 H new ATOM 0 HD13 LEU A 70 -11.533 11.533 -6.896 1.00 22.14 H new ATOM 0 HD21 LEU A 70 -11.823 13.231 -4.382 1.00 11.32 H new ATOM 0 HD22 LEU A 70 -12.470 13.622 -5.993 1.00 11.32 H new ATOM 0 HD23 LEU A 70 -13.556 13.587 -4.583 1.00 11.32 H new TER 1033 LEU A 70