USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 392 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 41 SER OG : rot -171:sc= 0.27 USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0.276 USER MOD Set 2.1: A 30 ASN : amide:sc= 1.3 K(o=2.3,f=0.28) USER MOD Set 2.2: A 32 SER OG : rot 74:sc= 1 USER MOD Single : A 1 SER N :NH3+ -162:sc= 0.784 (180deg=0.59) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc=-0.000465 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -158:sc= 0.483 USER MOD Single : A 14 THR OG1 : rot 87:sc= 0.276 USER MOD Single : A 19 SER OG : rot 180:sc= 0.288 USER MOD Single : A 21 HIS : no HE2:sc= 0.383 K(o=0.38,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 139:sc= 0.866 (180deg=0.0966) USER MOD Single : A 25 LYS NZ :NH3+ 142:sc= 1.4 (180deg=0.589) USER MOD Single : A 27 GLN : amide:sc= -0.0952 K(o=-0.095,f=-2.5!) USER MOD Single : A 31 SER OG : rot -89:sc= 0.2 USER MOD Single : A 43 THR OG1 : rot 140:sc= 0.289 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -142:sc= 2.06 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.155 42.018 31.121 1.00 0.00 N ATOM 2 CA SER A 1 29.311 42.219 29.667 1.00 0.00 C ATOM 3 C SER A 1 30.763 42.111 29.166 1.00 0.00 C ATOM 4 O SER A 1 30.981 41.766 28.001 1.00 0.00 O ATOM 5 CB SER A 1 28.710 43.573 29.246 1.00 0.00 C ATOM 6 OG SER A 1 29.560 44.675 29.514 1.00 0.00 O ATOM 0 H1 SER A 1 28.161 41.802 31.337 1.00 0.00 H new ATOM 0 H2 SER A 1 29.756 41.227 31.428 1.00 0.00 H new ATOM 0 H3 SER A 1 29.439 42.883 31.623 1.00 0.00 H new ATOM 0 HA SER A 1 28.767 41.400 29.197 1.00 0.00 H new ATOM 0 HB2 SER A 1 28.487 43.547 28.179 1.00 0.00 H new ATOM 0 HB3 SER A 1 27.763 43.719 29.766 1.00 0.00 H new ATOM 0 HG SER A 1 29.124 45.503 29.223 1.00 0.00 H new ATOM 12 N THR A 2 31.751 42.370 30.041 1.00 0.00 N ATOM 13 CA THR A 2 33.193 42.300 29.751 1.00 0.00 C ATOM 14 C THR A 2 34.030 42.274 31.025 1.00 0.00 C ATOM 15 O THR A 2 33.539 42.623 32.102 1.00 0.00 O ATOM 16 CB THR A 2 33.630 43.417 28.793 1.00 0.00 C ATOM 17 OG1 THR A 2 34.870 43.020 28.263 1.00 0.00 O ATOM 18 CG2 THR A 2 33.767 44.797 29.445 1.00 0.00 C ATOM 0 H THR A 2 31.559 42.644 31.005 1.00 0.00 H new ATOM 0 HA THR A 2 33.375 41.354 29.241 1.00 0.00 H new ATOM 0 HB THR A 2 32.856 43.540 28.035 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.193 43.704 27.640 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.079 45.524 28.695 1.00 0.00 H new ATOM 0 HG22 THR A 2 32.807 45.098 29.865 1.00 0.00 H new ATOM 0 HG23 THR A 2 34.512 44.752 30.239 1.00 0.00 H new ATOM 26 N LEU A 3 35.279 41.824 30.900 1.00 0.00 N ATOM 27 CA LEU A 3 36.210 41.549 31.994 1.00 0.00 C ATOM 28 C LEU A 3 37.253 42.667 32.196 1.00 0.00 C ATOM 29 O LEU A 3 37.500 43.486 31.308 1.00 0.00 O ATOM 30 CB LEU A 3 36.916 40.203 31.710 1.00 0.00 C ATOM 31 CG LEU A 3 35.999 38.999 31.403 1.00 0.00 C ATOM 32 CD1 LEU A 3 36.842 37.722 31.296 1.00 0.00 C ATOM 33 CD2 LEU A 3 34.913 38.814 32.468 1.00 0.00 C ATOM 0 H LEU A 3 35.689 41.632 29.986 1.00 0.00 H new ATOM 0 HA LEU A 3 35.636 41.500 32.919 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.591 40.343 30.866 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.533 39.952 32.573 1.00 0.00 H new ATOM 0 HG LEU A 3 35.499 39.199 30.455 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.192 36.874 31.079 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.572 37.834 30.494 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.362 37.549 32.238 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.293 37.956 32.210 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.380 38.645 33.438 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.293 39.709 32.514 1.00 0.00 H new ATOM 45 N PHE A 4 37.962 42.594 33.326 1.00 0.00 N ATOM 46 CA PHE A 4 38.983 43.542 33.777 1.00 0.00 C ATOM 47 C PHE A 4 39.859 42.958 34.903 1.00 0.00 C ATOM 48 O PHE A 4 39.437 42.053 35.624 1.00 0.00 O ATOM 49 CB PHE A 4 38.313 44.864 34.196 1.00 0.00 C ATOM 50 CG PHE A 4 39.227 46.057 34.037 1.00 0.00 C ATOM 51 CD1 PHE A 4 39.420 46.609 32.758 1.00 0.00 C ATOM 52 CD2 PHE A 4 39.924 46.583 35.140 1.00 0.00 C ATOM 53 CE1 PHE A 4 40.317 47.674 32.576 1.00 0.00 C ATOM 54 CE2 PHE A 4 40.827 47.644 34.956 1.00 0.00 C ATOM 55 CZ PHE A 4 41.028 48.184 33.673 1.00 0.00 C ATOM 0 H PHE A 4 37.831 41.829 33.987 1.00 0.00 H new ATOM 0 HA PHE A 4 39.658 43.743 32.945 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.415 45.017 33.597 1.00 0.00 H new ATOM 0 HB3 PHE A 4 37.994 44.792 35.236 1.00 0.00 H new ATOM 0 HD1 PHE A 4 38.877 46.213 31.913 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.765 46.172 36.126 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.459 48.100 31.594 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.367 48.045 35.801 1.00 0.00 H new ATOM 0 HZ PHE A 4 41.730 48.992 33.532 1.00 0.00 H new ATOM 65 N GLU A 5 41.092 43.450 35.036 1.00 0.00 N ATOM 66 CA GLU A 5 42.046 43.069 36.086 1.00 0.00 C ATOM 67 C GLU A 5 42.550 44.324 36.821 1.00 0.00 C ATOM 68 O GLU A 5 42.817 45.355 36.203 1.00 0.00 O ATOM 69 CB GLU A 5 43.183 42.259 35.447 1.00 0.00 C ATOM 70 CG GLU A 5 44.227 41.763 36.453 1.00 0.00 C ATOM 71 CD GLU A 5 45.156 40.730 35.804 1.00 0.00 C ATOM 72 OE1 GLU A 5 46.099 41.130 35.081 1.00 0.00 O ATOM 73 OE2 GLU A 5 44.941 39.514 36.023 1.00 0.00 O ATOM 0 H GLU A 5 41.469 44.148 34.395 1.00 0.00 H new ATOM 0 HA GLU A 5 41.566 42.441 36.836 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.758 41.401 34.926 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.679 42.875 34.696 1.00 0.00 H new ATOM 0 HG2 GLU A 5 44.813 42.605 36.822 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.728 41.320 37.315 1.00 0.00 H new ATOM 80 N ALA A 6 42.561 44.280 38.155 1.00 0.00 N ATOM 81 CA ALA A 6 42.911 45.366 39.060 1.00 0.00 C ATOM 82 C ALA A 6 44.407 45.701 39.006 1.00 0.00 C ATOM 83 O ALA A 6 45.262 44.833 39.213 1.00 0.00 O ATOM 84 CB ALA A 6 42.494 44.949 40.475 1.00 0.00 C ATOM 0 H ALA A 6 42.309 43.430 38.659 1.00 0.00 H new ATOM 0 HA ALA A 6 42.386 46.272 38.758 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.744 45.744 41.177 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.419 44.768 40.499 1.00 0.00 H new ATOM 0 HB3 ALA A 6 43.022 44.038 40.756 1.00 0.00 H new ATOM 90 N LEU A 7 44.711 46.975 38.753 1.00 0.00 N ATOM 91 CA LEU A 7 46.076 47.488 38.640 1.00 0.00 C ATOM 92 C LEU A 7 46.702 47.909 39.981 1.00 0.00 C ATOM 93 O LEU A 7 47.926 48.021 40.052 1.00 0.00 O ATOM 94 CB LEU A 7 46.071 48.676 37.661 1.00 0.00 C ATOM 95 CG LEU A 7 45.539 48.396 36.239 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.779 49.646 35.383 1.00 0.00 C ATOM 97 CD2 LEU A 7 46.199 47.177 35.578 1.00 0.00 C ATOM 0 H LEU A 7 44.000 47.694 38.618 1.00 0.00 H new ATOM 0 HA LEU A 7 46.698 46.672 38.272 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.472 49.475 38.098 1.00 0.00 H new ATOM 0 HB3 LEU A 7 47.091 49.052 37.576 1.00 0.00 H new ATOM 0 HG LEU A 7 44.477 48.165 36.316 1.00 0.00 H new ATOM 0 HD11 LEU A 7 45.410 49.471 34.372 1.00 0.00 H new ATOM 0 HD12 LEU A 7 45.251 50.493 35.820 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.847 49.863 35.347 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.782 47.033 34.581 1.00 0.00 H new ATOM 0 HD22 LEU A 7 47.274 47.342 35.502 1.00 0.00 H new ATOM 0 HD23 LEU A 7 46.010 46.289 36.182 1.00 0.00 H new ATOM 109 N TYR A 8 45.897 48.134 41.028 1.00 0.00 N ATOM 110 CA TYR A 8 46.322 48.729 42.309 1.00 0.00 C ATOM 111 C TYR A 8 45.567 48.145 43.521 1.00 0.00 C ATOM 112 O TYR A 8 44.626 47.367 43.363 1.00 0.00 O ATOM 113 CB TYR A 8 46.126 50.254 42.259 1.00 0.00 C ATOM 114 CG TYR A 8 46.872 50.959 41.143 1.00 0.00 C ATOM 115 CD1 TYR A 8 48.247 51.233 41.276 1.00 0.00 C ATOM 116 CD2 TYR A 8 46.197 51.323 39.964 1.00 0.00 C ATOM 117 CE1 TYR A 8 48.947 51.864 40.232 1.00 0.00 C ATOM 118 CE2 TYR A 8 46.891 51.942 38.910 1.00 0.00 C ATOM 119 CZ TYR A 8 48.268 52.219 39.042 1.00 0.00 C ATOM 120 OH TYR A 8 48.931 52.822 38.019 1.00 0.00 O ATOM 0 H TYR A 8 44.904 47.902 41.010 1.00 0.00 H new ATOM 0 HA TYR A 8 47.376 48.485 42.443 1.00 0.00 H new ATOM 0 HB2 TYR A 8 45.062 50.465 42.155 1.00 0.00 H new ATOM 0 HB3 TYR A 8 46.443 50.678 43.212 1.00 0.00 H new ATOM 0 HD1 TYR A 8 48.766 50.958 42.183 1.00 0.00 H new ATOM 0 HD2 TYR A 8 45.140 51.126 39.868 1.00 0.00 H new ATOM 0 HE1 TYR A 8 50.000 52.077 40.338 1.00 0.00 H new ATOM 0 HE2 TYR A 8 46.371 52.205 38.001 1.00 0.00 H new ATOM 0 HH TYR A 8 48.309 52.993 37.281 1.00 0.00 H new ATOM 130 N ASP A 9 45.988 48.512 44.736 1.00 0.00 N ATOM 131 CA ASP A 9 45.422 48.041 46.007 1.00 0.00 C ATOM 132 C ASP A 9 44.458 49.064 46.647 1.00 0.00 C ATOM 133 O ASP A 9 44.598 50.276 46.458 1.00 0.00 O ATOM 134 CB ASP A 9 46.567 47.686 46.964 1.00 0.00 C ATOM 135 CG ASP A 9 47.589 46.725 46.332 1.00 0.00 C ATOM 136 OD1 ASP A 9 47.208 45.578 45.998 1.00 0.00 O ATOM 137 OD2 ASP A 9 48.766 47.128 46.178 1.00 0.00 O ATOM 0 H ASP A 9 46.758 49.167 44.867 1.00 0.00 H new ATOM 0 HA ASP A 9 44.823 47.154 45.803 1.00 0.00 H new ATOM 0 HB2 ASP A 9 47.075 48.600 47.272 1.00 0.00 H new ATOM 0 HB3 ASP A 9 46.155 47.231 47.865 1.00 0.00 H new ATOM 142 N TYR A 10 43.464 48.560 47.387 1.00 0.00 N ATOM 143 CA TYR A 10 42.285 49.297 47.864 1.00 0.00 C ATOM 144 C TYR A 10 41.616 48.637 49.098 1.00 0.00 C ATOM 145 O TYR A 10 41.865 47.469 49.407 1.00 0.00 O ATOM 146 CB TYR A 10 41.297 49.394 46.682 1.00 0.00 C ATOM 147 CG TYR A 10 40.101 50.301 46.890 1.00 0.00 C ATOM 148 CD1 TYR A 10 40.295 51.688 47.039 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.796 49.769 46.919 1.00 0.00 C ATOM 150 CE1 TYR A 10 39.191 52.543 47.204 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.687 50.619 47.084 1.00 0.00 C ATOM 152 CZ TYR A 10 37.885 52.011 47.223 1.00 0.00 C ATOM 153 OH TYR A 10 36.827 52.852 47.352 1.00 0.00 O ATOM 0 H TYR A 10 43.458 47.584 47.684 1.00 0.00 H new ATOM 0 HA TYR A 10 42.593 50.286 48.201 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.843 49.741 45.805 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.933 48.392 46.455 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.295 52.096 47.026 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.647 48.705 46.814 1.00 0.00 H new ATOM 0 HE1 TYR A 10 39.343 53.606 47.316 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.688 50.209 47.104 1.00 0.00 H new ATOM 0 HH TYR A 10 36.054 52.355 47.692 1.00 0.00 H new ATOM 163 N GLU A 11 40.707 49.359 49.765 1.00 0.00 N ATOM 164 CA GLU A 11 39.864 48.873 50.864 1.00 0.00 C ATOM 165 C GLU A 11 38.553 49.678 50.883 1.00 0.00 C ATOM 166 O GLU A 11 38.571 50.909 50.954 1.00 0.00 O ATOM 167 CB GLU A 11 40.597 48.972 52.215 1.00 0.00 C ATOM 168 CG GLU A 11 39.759 48.406 53.373 1.00 0.00 C ATOM 169 CD GLU A 11 40.454 48.607 54.726 1.00 0.00 C ATOM 170 OE1 GLU A 11 40.496 49.761 55.212 1.00 0.00 O ATOM 171 OE2 GLU A 11 40.943 47.613 55.314 1.00 0.00 O ATOM 0 H GLU A 11 40.532 50.339 49.544 1.00 0.00 H new ATOM 0 HA GLU A 11 39.637 47.819 50.702 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.542 48.432 52.154 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.839 50.015 52.420 1.00 0.00 H new ATOM 0 HG2 GLU A 11 38.784 48.893 53.389 1.00 0.00 H new ATOM 0 HG3 GLU A 11 39.582 47.343 53.209 1.00 0.00 H new ATOM 178 N ALA A 12 37.421 48.980 50.840 1.00 0.00 N ATOM 179 CA ALA A 12 36.090 49.525 50.589 1.00 0.00 C ATOM 180 C ALA A 12 35.629 50.597 51.602 1.00 0.00 C ATOM 181 O ALA A 12 35.463 50.334 52.797 1.00 0.00 O ATOM 182 CB ALA A 12 35.103 48.353 50.505 1.00 0.00 C ATOM 0 H ALA A 12 37.407 47.971 50.986 1.00 0.00 H new ATOM 0 HA ALA A 12 36.127 50.067 49.644 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.100 48.735 50.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.396 47.688 49.692 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.112 47.802 51.445 1.00 0.00 H new ATOM 188 N ARG A 13 35.212 51.738 51.047 1.00 0.00 N ATOM 189 CA ARG A 13 34.992 53.002 51.756 1.00 0.00 C ATOM 190 C ARG A 13 33.590 53.154 52.363 1.00 0.00 C ATOM 191 O ARG A 13 33.470 53.755 53.435 1.00 0.00 O ATOM 192 CB ARG A 13 35.243 54.172 50.786 1.00 0.00 C ATOM 193 CG ARG A 13 36.705 54.390 50.359 1.00 0.00 C ATOM 194 CD ARG A 13 37.658 54.753 51.508 1.00 0.00 C ATOM 195 NE ARG A 13 38.281 53.550 52.071 1.00 0.00 N ATOM 196 CZ ARG A 13 39.044 53.437 53.147 1.00 0.00 C ATOM 197 NH1 ARG A 13 39.384 54.466 53.898 1.00 0.00 N ATOM 198 NH2 ARG A 13 39.474 52.236 53.455 1.00 0.00 N ATOM 0 H ARG A 13 35.010 51.810 50.050 1.00 0.00 H new ATOM 0 HA ARG A 13 35.691 53.006 52.592 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.643 54.011 49.890 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.880 55.088 51.251 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.068 53.483 49.876 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.738 55.184 49.613 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.430 55.431 51.145 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.110 55.282 52.287 1.00 0.00 H new ATOM 0 HE ARG A 13 38.102 52.683 51.565 1.00 0.00 H new ATOM 0 HH11 ARG A 13 39.056 55.402 53.659 1.00 0.00 H new ATOM 0 HH12 ARG A 13 39.975 54.326 54.718 1.00 0.00 H new ATOM 0 HH21 ARG A 13 39.218 51.438 52.874 1.00 0.00 H new ATOM 0 HH22 ARG A 13 40.065 52.101 54.275 1.00 0.00 H new ATOM 212 N THR A 14 32.539 52.660 51.700 1.00 0.00 N ATOM 213 CA THR A 14 31.124 52.955 52.008 1.00 0.00 C ATOM 214 C THR A 14 30.233 51.708 52.054 1.00 0.00 C ATOM 215 O THR A 14 29.122 51.802 52.571 1.00 0.00 O ATOM 216 CB THR A 14 30.576 54.030 51.048 1.00 0.00 C ATOM 217 OG1 THR A 14 31.089 53.877 49.749 1.00 0.00 O ATOM 218 CG2 THR A 14 30.984 55.436 51.485 1.00 0.00 C ATOM 0 H THR A 14 32.646 52.024 50.910 1.00 0.00 H new ATOM 0 HA THR A 14 31.097 53.355 53.022 1.00 0.00 H new ATOM 0 HB THR A 14 29.493 53.905 51.065 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.532 53.244 49.250 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.580 56.167 50.784 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.593 55.635 52.483 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.071 55.511 51.500 1.00 0.00 H new ATOM 226 N GLU A 15 30.730 50.545 51.614 1.00 0.00 N ATOM 227 CA GLU A 15 30.353 49.157 51.972 1.00 0.00 C ATOM 228 C GLU A 15 29.393 48.501 50.955 1.00 0.00 C ATOM 229 O GLU A 15 29.157 47.293 50.989 1.00 0.00 O ATOM 230 CB GLU A 15 29.858 48.998 53.426 1.00 0.00 C ATOM 231 CG GLU A 15 30.907 49.460 54.449 1.00 0.00 C ATOM 232 CD GLU A 15 30.398 49.301 55.888 1.00 0.00 C ATOM 233 OE1 GLU A 15 30.452 48.172 56.429 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.960 50.307 56.493 1.00 0.00 O ATOM 0 H GLU A 15 31.484 50.545 50.927 1.00 0.00 H new ATOM 0 HA GLU A 15 31.289 48.601 51.915 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.942 49.574 53.561 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.608 47.953 53.611 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.822 48.882 54.320 1.00 0.00 H new ATOM 0 HG3 GLU A 15 31.161 50.504 54.265 1.00 0.00 H new ATOM 241 N ASP A 16 28.888 49.296 50.015 1.00 0.00 N ATOM 242 CA ASP A 16 28.344 48.906 48.715 1.00 0.00 C ATOM 243 C ASP A 16 29.450 48.620 47.677 1.00 0.00 C ATOM 244 O ASP A 16 29.251 47.847 46.738 1.00 0.00 O ATOM 245 CB ASP A 16 27.454 50.062 48.229 1.00 0.00 C ATOM 246 CG ASP A 16 28.203 51.393 47.972 1.00 0.00 C ATOM 247 OD1 ASP A 16 29.002 51.841 48.835 1.00 0.00 O ATOM 248 OD2 ASP A 16 27.936 52.015 46.918 1.00 0.00 O ATOM 0 H ASP A 16 28.845 50.306 50.152 1.00 0.00 H new ATOM 0 HA ASP A 16 27.778 47.981 48.825 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.957 49.757 47.308 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.674 50.237 48.969 1.00 0.00 H new ATOM 253 N ASP A 17 30.618 49.240 47.861 1.00 0.00 N ATOM 254 CA ASP A 17 31.850 48.995 47.121 1.00 0.00 C ATOM 255 C ASP A 17 32.640 47.783 47.658 1.00 0.00 C ATOM 256 O ASP A 17 32.372 47.257 48.742 1.00 0.00 O ATOM 257 CB ASP A 17 32.680 50.292 47.035 1.00 0.00 C ATOM 258 CG ASP A 17 33.271 50.835 48.353 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.586 50.821 49.406 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.425 51.327 48.301 1.00 0.00 O ATOM 0 H ASP A 17 30.732 49.965 48.569 1.00 0.00 H new ATOM 0 HA ASP A 17 31.589 48.710 46.102 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.502 50.122 46.340 1.00 0.00 H new ATOM 0 HB3 ASP A 17 32.050 51.069 46.601 1.00 0.00 H new ATOM 265 N LEU A 18 33.604 47.321 46.858 1.00 0.00 N ATOM 266 CA LEU A 18 34.345 46.070 47.046 1.00 0.00 C ATOM 267 C LEU A 18 35.845 46.355 47.226 1.00 0.00 C ATOM 268 O LEU A 18 36.377 47.298 46.642 1.00 0.00 O ATOM 269 CB LEU A 18 34.106 45.146 45.833 1.00 0.00 C ATOM 270 CG LEU A 18 32.632 44.832 45.485 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.589 43.869 44.289 1.00 0.00 C ATOM 272 CD2 LEU A 18 31.859 44.224 46.666 1.00 0.00 C ATOM 0 H LEU A 18 33.903 47.830 46.026 1.00 0.00 H new ATOM 0 HA LEU A 18 33.988 45.572 47.948 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.573 45.601 44.960 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.622 44.203 46.015 1.00 0.00 H new ATOM 0 HG LEU A 18 32.146 45.776 45.238 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.552 43.644 44.040 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.076 44.332 43.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.108 42.946 44.546 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.831 44.024 46.364 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.335 43.292 46.971 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.862 44.924 47.502 1.00 0.00 H new ATOM 284 N SER A 19 36.542 45.531 48.012 1.00 0.00 N ATOM 285 CA SER A 19 38.006 45.636 48.158 1.00 0.00 C ATOM 286 C SER A 19 38.741 44.759 47.140 1.00 0.00 C ATOM 287 O SER A 19 38.326 43.630 46.861 1.00 0.00 O ATOM 288 CB SER A 19 38.478 45.243 49.562 1.00 0.00 C ATOM 289 OG SER A 19 37.943 46.110 50.542 1.00 0.00 O ATOM 0 H SER A 19 36.121 44.781 48.560 1.00 0.00 H new ATOM 0 HA SER A 19 38.244 46.685 47.980 1.00 0.00 H new ATOM 0 HB2 SER A 19 38.177 44.218 49.776 1.00 0.00 H new ATOM 0 HB3 SER A 19 39.567 45.271 49.604 1.00 0.00 H new ATOM 0 HG SER A 19 38.258 45.836 51.428 1.00 0.00 H new ATOM 295 N PHE A 20 39.866 45.262 46.628 1.00 0.00 N ATOM 296 CA PHE A 20 40.716 44.561 45.673 1.00 0.00 C ATOM 297 C PHE A 20 42.206 44.786 45.946 1.00 0.00 C ATOM 298 O PHE A 20 42.625 45.760 46.572 1.00 0.00 O ATOM 299 CB PHE A 20 40.320 44.938 44.235 1.00 0.00 C ATOM 300 CG PHE A 20 40.213 46.423 43.930 1.00 0.00 C ATOM 301 CD1 PHE A 20 38.997 47.100 44.142 1.00 0.00 C ATOM 302 CD2 PHE A 20 41.312 47.122 43.400 1.00 0.00 C ATOM 303 CE1 PHE A 20 38.877 48.461 43.815 1.00 0.00 C ATOM 304 CE2 PHE A 20 41.191 48.484 43.065 1.00 0.00 C ATOM 305 CZ PHE A 20 39.970 49.152 43.266 1.00 0.00 C ATOM 0 H PHE A 20 40.216 46.188 46.873 1.00 0.00 H new ATOM 0 HA PHE A 20 40.553 43.490 45.797 1.00 0.00 H new ATOM 0 HB2 PHE A 20 41.051 44.501 43.554 1.00 0.00 H new ATOM 0 HB3 PHE A 20 39.359 44.474 44.012 1.00 0.00 H new ATOM 0 HD1 PHE A 20 38.153 46.571 44.558 1.00 0.00 H new ATOM 0 HD2 PHE A 20 42.252 46.612 43.249 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.944 48.977 43.986 1.00 0.00 H new ATOM 0 HE2 PHE A 20 42.036 49.016 42.654 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.873 50.194 42.999 1.00 0.00 H new ATOM 315 N HIS A 21 42.998 43.850 45.440 1.00 0.00 N ATOM 316 CA HIS A 21 44.446 43.948 45.341 1.00 0.00 C ATOM 317 C HIS A 21 44.856 43.847 43.866 1.00 0.00 C ATOM 318 O HIS A 21 44.111 43.329 43.027 1.00 0.00 O ATOM 319 CB HIS A 21 45.098 42.843 46.186 1.00 0.00 C ATOM 320 CG HIS A 21 44.714 41.445 45.769 1.00 0.00 C ATOM 321 ND1 HIS A 21 45.284 40.708 44.759 1.00 0.00 N ATOM 322 CD2 HIS A 21 43.707 40.684 46.297 1.00 0.00 C ATOM 323 CE1 HIS A 21 44.634 39.537 44.678 1.00 0.00 C ATOM 324 NE2 HIS A 21 43.659 39.470 45.602 1.00 0.00 N ATOM 0 H HIS A 21 42.635 42.970 45.074 1.00 0.00 H new ATOM 0 HA HIS A 21 44.788 44.908 45.728 1.00 0.00 H new ATOM 0 HB2 HIS A 21 46.182 42.945 46.125 1.00 0.00 H new ATOM 0 HB3 HIS A 21 44.823 42.988 47.231 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.066 41.000 44.173 1.00 0.00 H new ATOM 0 HD2 HIS A 21 43.059 40.971 47.112 1.00 0.00 H new ATOM 0 HE1 HIS A 21 44.862 38.756 43.968 1.00 0.00 H new ATOM 332 N LYS A 22 46.052 44.328 43.550 1.00 0.00 N ATOM 333 CA LYS A 22 46.677 44.147 42.245 1.00 0.00 C ATOM 334 C LYS A 22 46.665 42.653 41.854 1.00 0.00 C ATOM 335 O LYS A 22 47.139 41.796 42.610 1.00 0.00 O ATOM 336 CB LYS A 22 48.076 44.774 42.321 1.00 0.00 C ATOM 337 CG LYS A 22 48.815 44.817 40.980 1.00 0.00 C ATOM 338 CD LYS A 22 50.103 45.639 41.151 1.00 0.00 C ATOM 339 CE LYS A 22 50.906 45.832 39.858 1.00 0.00 C ATOM 340 NZ LYS A 22 50.143 46.562 38.814 1.00 0.00 N ATOM 0 H LYS A 22 46.624 44.863 44.203 1.00 0.00 H new ATOM 0 HA LYS A 22 46.129 44.649 41.447 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.987 45.789 42.707 1.00 0.00 H new ATOM 0 HB3 LYS A 22 48.676 44.212 43.037 1.00 0.00 H new ATOM 0 HG2 LYS A 22 49.053 43.807 40.648 1.00 0.00 H new ATOM 0 HG3 LYS A 22 48.181 45.263 40.214 1.00 0.00 H new ATOM 0 HD2 LYS A 22 49.844 46.618 41.554 1.00 0.00 H new ATOM 0 HD3 LYS A 22 50.738 45.149 41.889 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.822 46.379 40.082 1.00 0.00 H new ATOM 0 HE3 LYS A 22 51.203 44.857 39.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 50.770 47.240 38.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.771 45.884 38.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 49.353 47.074 39.256 1.00 0.00 H new ATOM 354 N GLY A 23 46.052 42.339 40.710 1.00 0.00 N ATOM 355 CA GLY A 23 45.821 40.979 40.200 1.00 0.00 C ATOM 356 C GLY A 23 44.405 40.418 40.404 1.00 0.00 C ATOM 357 O GLY A 23 44.090 39.403 39.782 1.00 0.00 O ATOM 0 H GLY A 23 45.686 43.056 40.084 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.045 40.969 39.133 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.531 40.306 40.681 1.00 0.00 H new ATOM 361 N GLU A 24 43.542 41.060 41.204 1.00 0.00 N ATOM 362 CA GLU A 24 42.131 40.671 41.339 1.00 0.00 C ATOM 363 C GLU A 24 41.365 40.917 40.029 1.00 0.00 C ATOM 364 O GLU A 24 41.601 41.883 39.304 1.00 0.00 O ATOM 365 CB GLU A 24 41.461 41.376 42.534 1.00 0.00 C ATOM 366 CG GLU A 24 39.950 41.118 42.716 1.00 0.00 C ATOM 367 CD GLU A 24 39.532 39.653 42.991 1.00 0.00 C ATOM 368 OE1 GLU A 24 39.903 38.731 42.225 1.00 0.00 O ATOM 369 OE2 GLU A 24 38.761 39.436 43.955 1.00 0.00 O ATOM 0 H GLU A 24 43.802 41.864 41.776 1.00 0.00 H new ATOM 0 HA GLU A 24 42.098 39.601 41.543 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.974 41.068 43.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.615 42.450 42.429 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.594 41.736 43.541 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.434 41.458 41.818 1.00 0.00 H new ATOM 376 N LYS A 25 40.438 40.013 39.731 1.00 0.00 N ATOM 377 CA LYS A 25 39.719 39.889 38.470 1.00 0.00 C ATOM 378 C LYS A 25 38.223 40.213 38.626 1.00 0.00 C ATOM 379 O LYS A 25 37.530 39.754 39.540 1.00 0.00 O ATOM 380 CB LYS A 25 39.945 38.468 37.934 1.00 0.00 C ATOM 381 CG LYS A 25 41.393 38.239 37.451 1.00 0.00 C ATOM 382 CD LYS A 25 41.860 36.820 37.805 1.00 0.00 C ATOM 383 CE LYS A 25 43.189 36.404 37.160 1.00 0.00 C ATOM 384 NZ LYS A 25 44.339 37.246 37.568 1.00 0.00 N ATOM 0 H LYS A 25 40.152 39.304 40.406 1.00 0.00 H new ATOM 0 HA LYS A 25 40.102 40.617 37.755 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.709 37.747 38.716 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.257 38.281 37.109 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.451 38.389 36.373 1.00 0.00 H new ATOM 0 HG3 LYS A 25 42.056 38.972 37.911 1.00 0.00 H new ATOM 0 HD2 LYS A 25 41.957 36.744 38.888 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.088 36.112 37.504 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.400 35.367 37.420 1.00 0.00 H new ATOM 0 HE3 LYS A 25 43.085 36.447 36.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.184 36.650 37.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.517 37.967 36.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.124 37.713 38.472 1.00 0.00 H new ATOM 398 N PHE A 26 37.733 41.001 37.679 1.00 0.00 N ATOM 399 CA PHE A 26 36.432 41.653 37.669 1.00 0.00 C ATOM 400 C PHE A 26 35.699 41.408 36.349 1.00 0.00 C ATOM 401 O PHE A 26 36.313 41.320 35.288 1.00 0.00 O ATOM 402 CB PHE A 26 36.661 43.164 37.847 1.00 0.00 C ATOM 403 CG PHE A 26 36.900 43.611 39.274 1.00 0.00 C ATOM 404 CD1 PHE A 26 35.796 43.915 40.090 1.00 0.00 C ATOM 405 CD2 PHE A 26 38.208 43.761 39.778 1.00 0.00 C ATOM 406 CE1 PHE A 26 35.994 44.382 41.400 1.00 0.00 C ATOM 407 CE2 PHE A 26 38.403 44.227 41.090 1.00 0.00 C ATOM 408 CZ PHE A 26 37.296 44.544 41.898 1.00 0.00 C ATOM 0 H PHE A 26 38.272 41.216 36.840 1.00 0.00 H new ATOM 0 HA PHE A 26 35.819 41.247 38.474 1.00 0.00 H new ATOM 0 HB2 PHE A 26 37.517 43.460 37.241 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.794 43.696 37.456 1.00 0.00 H new ATOM 0 HD1 PHE A 26 34.793 43.789 39.709 1.00 0.00 H new ATOM 0 HD2 PHE A 26 39.058 43.519 39.158 1.00 0.00 H new ATOM 0 HE1 PHE A 26 35.144 44.616 42.024 1.00 0.00 H new ATOM 0 HE2 PHE A 26 39.404 44.342 41.478 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.448 44.912 42.902 1.00 0.00 H new ATOM 418 N GLN A 27 34.373 41.462 36.406 1.00 0.00 N ATOM 419 CA GLN A 27 33.501 41.659 35.258 1.00 0.00 C ATOM 420 C GLN A 27 32.553 42.833 35.531 1.00 0.00 C ATOM 421 O GLN A 27 32.121 43.053 36.662 1.00 0.00 O ATOM 422 CB GLN A 27 32.792 40.343 34.895 1.00 0.00 C ATOM 423 CG GLN A 27 31.807 39.797 35.945 1.00 0.00 C ATOM 424 CD GLN A 27 31.316 38.373 35.640 1.00 0.00 C ATOM 425 OE1 GLN A 27 31.113 37.559 36.534 1.00 0.00 O ATOM 426 NE2 GLN A 27 31.105 38.002 34.391 1.00 0.00 N ATOM 0 H GLN A 27 33.860 41.366 37.283 1.00 0.00 H new ATOM 0 HA GLN A 27 34.080 41.931 34.376 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.251 40.490 33.960 1.00 0.00 H new ATOM 0 HB3 GLN A 27 33.551 39.584 34.708 1.00 0.00 H new ATOM 0 HG2 GLN A 27 32.288 39.806 36.923 1.00 0.00 H new ATOM 0 HG3 GLN A 27 30.947 40.464 36.007 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.266 38.661 33.629 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.780 37.057 34.188 1.00 0.00 H new ATOM 435 N ILE A 28 32.258 43.608 34.488 1.00 0.00 N ATOM 436 CA ILE A 28 31.519 44.872 34.548 1.00 0.00 C ATOM 437 C ILE A 28 30.071 44.628 34.108 1.00 0.00 C ATOM 438 O ILE A 28 29.811 44.150 32.996 1.00 0.00 O ATOM 439 CB ILE A 28 32.213 45.948 33.677 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.752 46.036 33.844 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.575 47.326 33.926 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.270 46.214 35.278 1.00 0.00 C ATOM 0 H ILE A 28 32.538 43.364 33.538 1.00 0.00 H new ATOM 0 HA ILE A 28 31.510 45.248 35.571 1.00 0.00 H new ATOM 0 HB ILE A 28 32.052 45.629 32.647 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.194 45.129 33.430 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.115 46.870 33.243 1.00 0.00 H new ATOM 0 HG21 ILE A 28 32.072 48.074 33.308 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.516 47.288 33.670 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.685 47.593 34.977 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.359 46.262 35.268 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.869 47.137 35.698 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.950 45.369 35.888 1.00 0.00 H new ATOM 454 N LEU A 29 29.133 44.949 34.999 1.00 0.00 N ATOM 455 CA LEU A 29 27.694 44.751 34.848 1.00 0.00 C ATOM 456 C LEU A 29 27.036 45.930 34.126 1.00 0.00 C ATOM 457 O LEU A 29 26.153 45.722 33.293 1.00 0.00 O ATOM 458 CB LEU A 29 27.059 44.624 36.251 1.00 0.00 C ATOM 459 CG LEU A 29 27.599 43.494 37.149 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.003 43.644 38.557 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.251 42.115 36.577 1.00 0.00 C ATOM 0 H LEU A 29 29.371 45.377 35.894 1.00 0.00 H new ATOM 0 HA LEU A 29 27.536 43.849 34.257 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.195 45.570 36.774 1.00 0.00 H new ATOM 0 HB3 LEU A 29 25.986 44.479 36.128 1.00 0.00 H new ATOM 0 HG LEU A 29 28.685 43.571 37.193 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.380 42.848 39.199 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.289 44.611 38.972 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.916 43.580 38.501 1.00 0.00 H new ATOM 0 HD21 LEU A 29 27.646 41.339 37.233 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.168 42.014 36.505 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.692 42.011 35.586 1.00 0.00 H new ATOM 473 N ASN A 30 27.453 47.155 34.463 1.00 0.00 N ATOM 474 CA ASN A 30 26.798 48.409 34.095 1.00 0.00 C ATOM 475 C ASN A 30 27.608 49.636 34.569 1.00 0.00 C ATOM 476 O ASN A 30 27.991 49.736 35.735 1.00 0.00 O ATOM 477 CB ASN A 30 25.370 48.439 34.667 1.00 0.00 C ATOM 478 CG ASN A 30 24.678 49.751 34.341 1.00 0.00 C ATOM 479 OD1 ASN A 30 24.805 50.290 33.249 1.00 0.00 O ATOM 480 ND2 ASN A 30 23.976 50.321 35.292 1.00 0.00 N ATOM 0 H ASN A 30 28.292 47.303 35.024 1.00 0.00 H new ATOM 0 HA ASN A 30 26.746 48.460 33.007 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.794 47.609 34.258 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.405 48.301 35.748 1.00 0.00 H new ATOM 0 HD21 ASN A 30 23.529 51.223 35.125 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.877 49.862 36.198 1.00 0.00 H new ATOM 487 N SER A 31 27.847 50.586 33.667 1.00 0.00 N ATOM 488 CA SER A 31 28.749 51.735 33.878 1.00 0.00 C ATOM 489 C SER A 31 28.043 53.094 33.722 1.00 0.00 C ATOM 490 O SER A 31 28.690 54.120 33.523 1.00 0.00 O ATOM 491 CB SER A 31 29.925 51.625 32.901 1.00 0.00 C ATOM 492 OG SER A 31 30.557 50.370 33.061 1.00 0.00 O ATOM 0 H SER A 31 27.412 50.585 32.744 1.00 0.00 H new ATOM 0 HA SER A 31 29.103 51.697 34.908 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.572 51.738 31.876 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.638 52.429 33.082 1.00 0.00 H new ATOM 0 HG SER A 31 31.259 50.441 33.741 1.00 0.00 H new ATOM 498 N SER A 32 26.710 53.120 33.772 1.00 0.00 N ATOM 499 CA SER A 32 25.871 54.273 33.412 1.00 0.00 C ATOM 500 C SER A 32 26.116 55.547 34.251 1.00 0.00 C ATOM 501 O SER A 32 25.924 56.650 33.734 1.00 0.00 O ATOM 502 CB SER A 32 24.389 53.849 33.421 1.00 0.00 C ATOM 503 OG SER A 32 24.045 53.040 34.523 1.00 0.00 O ATOM 0 H SER A 32 26.163 52.314 34.074 1.00 0.00 H new ATOM 0 HA SER A 32 26.166 54.570 32.406 1.00 0.00 H new ATOM 0 HB2 SER A 32 23.763 54.742 33.426 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.168 53.309 32.500 1.00 0.00 H new ATOM 0 HG SER A 32 24.002 53.591 35.332 1.00 0.00 H new ATOM 509 N GLU A 33 26.592 55.429 35.498 1.00 0.00 N ATOM 510 CA GLU A 33 26.946 56.560 36.372 1.00 0.00 C ATOM 511 C GLU A 33 28.435 56.980 36.270 1.00 0.00 C ATOM 512 O GLU A 33 28.857 57.939 36.920 1.00 0.00 O ATOM 513 CB GLU A 33 26.497 56.234 37.813 1.00 0.00 C ATOM 514 CG GLU A 33 25.060 56.706 38.094 1.00 0.00 C ATOM 515 CD GLU A 33 23.992 56.193 37.102 1.00 0.00 C ATOM 516 OE1 GLU A 33 23.936 54.974 36.808 1.00 0.00 O ATOM 517 OE2 GLU A 33 23.177 57.027 36.641 1.00 0.00 O ATOM 0 H GLU A 33 26.746 54.523 35.940 1.00 0.00 H new ATOM 0 HA GLU A 33 26.410 57.445 36.030 1.00 0.00 H new ATOM 0 HB2 GLU A 33 26.563 55.159 37.978 1.00 0.00 H new ATOM 0 HB3 GLU A 33 27.178 56.708 38.520 1.00 0.00 H new ATOM 0 HG2 GLU A 33 24.781 56.389 39.099 1.00 0.00 H new ATOM 0 HG3 GLU A 33 25.045 57.796 38.087 1.00 0.00 H new ATOM 524 N GLY A 34 29.219 56.310 35.416 1.00 0.00 N ATOM 525 CA GLY A 34 30.474 56.785 34.812 1.00 0.00 C ATOM 526 C GLY A 34 31.724 56.690 35.688 1.00 0.00 C ATOM 527 O GLY A 34 32.756 56.195 35.236 1.00 0.00 O ATOM 0 H GLY A 34 28.982 55.367 35.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.651 56.216 33.899 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.340 57.826 34.518 1.00 0.00 H new ATOM 531 N ASP A 35 31.633 57.180 36.919 1.00 0.00 N ATOM 532 CA ASP A 35 32.735 57.343 37.878 1.00 0.00 C ATOM 533 C ASP A 35 32.809 56.196 38.906 1.00 0.00 C ATOM 534 O ASP A 35 33.900 55.829 39.347 1.00 0.00 O ATOM 535 CB ASP A 35 32.536 58.697 38.571 1.00 0.00 C ATOM 536 CG ASP A 35 33.769 59.162 39.360 1.00 0.00 C ATOM 537 OD1 ASP A 35 34.817 59.421 38.724 1.00 0.00 O ATOM 538 OD2 ASP A 35 33.660 59.335 40.596 1.00 0.00 O ATOM 0 H ASP A 35 30.741 57.494 37.302 1.00 0.00 H new ATOM 0 HA ASP A 35 33.685 57.311 37.345 1.00 0.00 H new ATOM 0 HB2 ASP A 35 32.288 59.448 37.821 1.00 0.00 H new ATOM 0 HB3 ASP A 35 31.684 58.629 39.248 1.00 0.00 H new ATOM 543 N TRP A 36 31.654 55.598 39.229 1.00 0.00 N ATOM 544 CA TRP A 36 31.525 54.319 39.933 1.00 0.00 C ATOM 545 C TRP A 36 30.639 53.379 39.107 1.00 0.00 C ATOM 546 O TRP A 36 29.523 53.748 38.727 1.00 0.00 O ATOM 547 CB TRP A 36 30.899 54.511 41.325 1.00 0.00 C ATOM 548 CG TRP A 36 31.649 55.357 42.306 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.663 56.708 42.313 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.464 54.950 43.452 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.434 57.164 43.359 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.950 56.126 44.100 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.831 53.710 44.025 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.761 56.079 45.242 1.00 0.00 C ATOM 555 CZ3 TRP A 36 33.653 53.651 45.167 1.00 0.00 C ATOM 556 CH2 TRP A 36 34.116 54.830 45.776 1.00 0.00 C ATOM 0 H TRP A 36 30.750 56.010 38.997 1.00 0.00 H new ATOM 0 HA TRP A 36 32.520 53.892 40.060 1.00 0.00 H new ATOM 0 HB2 TRP A 36 29.909 54.947 41.192 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.757 53.526 41.769 1.00 0.00 H new ATOM 0 HD1 TRP A 36 31.146 57.337 41.603 1.00 0.00 H new ATOM 0 HE1 TRP A 36 32.602 58.150 43.560 1.00 0.00 H new ATOM 0 HE3 TRP A 36 32.475 52.793 43.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 34.108 56.991 45.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.930 52.692 45.578 1.00 0.00 H new ATOM 0 HH2 TRP A 36 34.744 54.775 46.653 1.00 0.00 H new ATOM 567 N TRP A 37 31.120 52.165 38.829 1.00 0.00 N ATOM 568 CA TRP A 37 30.395 51.159 38.044 1.00 0.00 C ATOM 569 C TRP A 37 29.878 50.009 38.911 1.00 0.00 C ATOM 570 O TRP A 37 30.467 49.678 39.939 1.00 0.00 O ATOM 571 CB TRP A 37 31.308 50.566 36.967 1.00 0.00 C ATOM 572 CG TRP A 37 32.008 51.503 36.038 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.695 52.794 35.791 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.176 51.215 35.216 1.00 0.00 C ATOM 575 NE1 TRP A 37 32.589 53.315 34.885 1.00 0.00 N ATOM 576 CE2 TRP A 37 33.503 52.379 34.463 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.006 50.090 35.053 1.00 0.00 C ATOM 578 CZ2 TRP A 37 34.579 52.422 33.568 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.094 50.116 34.159 1.00 0.00 C ATOM 580 CH2 TRP A 37 35.377 51.275 33.414 1.00 0.00 C ATOM 0 H TRP A 37 32.036 51.847 39.146 1.00 0.00 H new ATOM 0 HA TRP A 37 29.545 51.671 37.594 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.067 49.966 37.468 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.710 49.884 36.363 1.00 0.00 H new ATOM 0 HD1 TRP A 37 30.871 53.333 36.236 1.00 0.00 H new ATOM 0 HE1 TRP A 37 32.575 54.283 34.564 1.00 0.00 H new ATOM 0 HE3 TRP A 37 33.806 49.194 35.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.792 53.320 33.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 35.715 49.240 34.045 1.00 0.00 H new ATOM 0 HH2 TRP A 37 36.207 51.284 32.724 1.00 0.00 H new ATOM 591 N GLU A 38 28.823 49.353 38.435 1.00 0.00 N ATOM 592 CA GLU A 38 28.351 48.074 38.947 1.00 0.00 C ATOM 593 C GLU A 38 29.197 46.939 38.348 1.00 0.00 C ATOM 594 O GLU A 38 29.390 46.843 37.135 1.00 0.00 O ATOM 595 CB GLU A 38 26.859 47.878 38.640 1.00 0.00 C ATOM 596 CG GLU A 38 25.983 48.971 39.268 1.00 0.00 C ATOM 597 CD GLU A 38 24.493 48.695 39.024 1.00 0.00 C ATOM 598 OE1 GLU A 38 23.861 48.008 39.860 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.956 49.171 37.996 1.00 0.00 O ATOM 0 H GLU A 38 28.259 49.707 37.662 1.00 0.00 H new ATOM 0 HA GLU A 38 28.463 48.060 40.031 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.711 47.873 37.560 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.540 46.904 39.010 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.175 49.024 40.340 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.250 49.941 38.848 1.00 0.00 H new ATOM 606 N VAL A 39 29.706 46.096 39.238 1.00 0.00 N ATOM 607 CA VAL A 39 30.652 45.012 38.966 1.00 0.00 C ATOM 608 C VAL A 39 30.356 43.753 39.786 1.00 0.00 C ATOM 609 O VAL A 39 29.551 43.747 40.719 1.00 0.00 O ATOM 610 CB VAL A 39 32.123 45.453 39.177 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.504 46.625 38.260 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.452 45.791 40.642 1.00 0.00 C ATOM 0 H VAL A 39 29.458 46.151 40.226 1.00 0.00 H new ATOM 0 HA VAL A 39 30.517 44.763 37.913 1.00 0.00 H new ATOM 0 HB VAL A 39 32.727 44.587 38.906 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.542 46.904 38.439 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.382 46.327 37.219 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.858 47.477 38.471 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.497 46.092 40.720 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.813 46.607 40.979 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.280 44.914 41.265 1.00 0.00 H new ATOM 622 N ARG A 40 31.088 42.697 39.442 1.00 0.00 N ATOM 623 CA ARG A 40 31.162 41.412 40.118 1.00 0.00 C ATOM 624 C ARG A 40 32.611 40.920 40.069 1.00 0.00 C ATOM 625 O ARG A 40 33.294 41.058 39.052 1.00 0.00 O ATOM 626 CB ARG A 40 30.209 40.432 39.413 1.00 0.00 C ATOM 627 CG ARG A 40 30.086 39.066 40.105 1.00 0.00 C ATOM 628 CD ARG A 40 29.138 38.162 39.305 1.00 0.00 C ATOM 629 NE ARG A 40 28.890 36.880 39.990 1.00 0.00 N ATOM 630 CZ ARG A 40 29.172 35.652 39.560 1.00 0.00 C ATOM 631 NH1 ARG A 40 29.870 35.420 38.466 1.00 0.00 N ATOM 632 NH2 ARG A 40 28.748 34.616 40.254 1.00 0.00 N ATOM 0 H ARG A 40 31.690 42.723 38.619 1.00 0.00 H new ATOM 0 HA ARG A 40 30.860 41.494 41.162 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.220 40.886 39.351 1.00 0.00 H new ATOM 0 HB3 ARG A 40 30.554 40.279 38.390 1.00 0.00 H new ATOM 0 HG2 ARG A 40 31.068 38.599 40.185 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.710 39.195 41.120 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.191 38.678 39.148 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.564 37.971 38.320 1.00 0.00 H new ATOM 0 HE ARG A 40 28.448 36.942 40.907 1.00 0.00 H new ATOM 0 HH11 ARG A 40 30.219 36.200 37.909 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.061 34.461 38.177 1.00 0.00 H new ATOM 0 HH21 ARG A 40 28.211 34.760 41.109 1.00 0.00 H new ATOM 0 HH22 ARG A 40 28.957 33.669 39.936 1.00 0.00 H new ATOM 646 N SER A 41 33.093 40.327 41.147 1.00 0.00 N ATOM 647 CA SER A 41 34.324 39.545 41.162 1.00 0.00 C ATOM 648 C SER A 41 34.169 38.269 40.328 1.00 0.00 C ATOM 649 O SER A 41 33.256 37.470 40.542 1.00 0.00 O ATOM 650 CB SER A 41 34.679 39.165 42.603 1.00 0.00 C ATOM 651 OG SER A 41 35.638 38.123 42.622 1.00 0.00 O ATOM 0 H SER A 41 32.633 40.374 42.056 1.00 0.00 H new ATOM 0 HA SER A 41 35.120 40.153 40.731 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.070 40.036 43.129 1.00 0.00 H new ATOM 0 HB3 SER A 41 33.781 38.849 43.133 1.00 0.00 H new ATOM 0 HG SER A 41 35.748 37.796 43.539 1.00 0.00 H new ATOM 657 N LEU A 42 35.120 38.047 39.423 1.00 0.00 N ATOM 658 CA LEU A 42 35.213 36.806 38.663 1.00 0.00 C ATOM 659 C LEU A 42 35.636 35.630 39.567 1.00 0.00 C ATOM 660 O LEU A 42 35.132 34.516 39.414 1.00 0.00 O ATOM 661 CB LEU A 42 36.175 37.036 37.484 1.00 0.00 C ATOM 662 CG LEU A 42 35.951 36.058 36.318 1.00 0.00 C ATOM 663 CD1 LEU A 42 34.632 36.349 35.582 1.00 0.00 C ATOM 664 CD2 LEU A 42 37.123 36.172 35.334 1.00 0.00 C ATOM 0 H LEU A 42 35.848 38.725 39.197 1.00 0.00 H new ATOM 0 HA LEU A 42 34.237 36.528 38.265 1.00 0.00 H new ATOM 0 HB2 LEU A 42 36.057 38.057 37.121 1.00 0.00 H new ATOM 0 HB3 LEU A 42 37.202 36.940 37.837 1.00 0.00 H new ATOM 0 HG LEU A 42 35.893 35.048 36.724 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.507 35.639 34.765 1.00 0.00 H new ATOM 0 HD12 LEU A 42 33.798 36.252 36.277 1.00 0.00 H new ATOM 0 HD13 LEU A 42 34.655 37.363 35.182 1.00 0.00 H new ATOM 0 HD21 LEU A 42 36.970 35.481 34.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 37.179 37.191 34.952 1.00 0.00 H new ATOM 0 HD23 LEU A 42 38.053 35.925 35.846 1.00 0.00 H new ATOM 676 N THR A 43 36.540 35.898 40.519 1.00 0.00 N ATOM 677 CA THR A 43 37.176 34.928 41.426 1.00 0.00 C ATOM 678 C THR A 43 36.211 34.300 42.430 1.00 0.00 C ATOM 679 O THR A 43 36.283 33.085 42.623 1.00 0.00 O ATOM 680 CB THR A 43 38.345 35.624 42.120 1.00 0.00 C ATOM 681 OG1 THR A 43 39.229 35.986 41.092 1.00 0.00 O ATOM 682 CG2 THR A 43 39.125 34.770 43.119 1.00 0.00 C ATOM 0 H THR A 43 36.866 36.850 40.688 1.00 0.00 H new ATOM 0 HA THR A 43 37.533 34.086 40.833 1.00 0.00 H new ATOM 0 HB THR A 43 37.936 36.450 42.702 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.593 36.878 41.273 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.931 35.362 43.552 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.456 34.434 43.911 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.545 33.904 42.607 1.00 0.00 H new ATOM 690 N THR A 44 35.310 35.072 43.054 1.00 0.00 N ATOM 691 CA THR A 44 34.362 34.594 44.081 1.00 0.00 C ATOM 692 C THR A 44 32.925 34.543 43.570 1.00 0.00 C ATOM 693 O THR A 44 32.202 33.596 43.878 1.00 0.00 O ATOM 694 CB THR A 44 34.408 35.511 45.309 1.00 0.00 C ATOM 695 OG1 THR A 44 34.072 36.822 44.917 1.00 0.00 O ATOM 696 CG2 THR A 44 35.780 35.536 45.986 1.00 0.00 C ATOM 0 H THR A 44 35.215 36.068 42.857 1.00 0.00 H new ATOM 0 HA THR A 44 34.670 33.581 44.342 1.00 0.00 H new ATOM 0 HB THR A 44 33.695 35.115 46.032 1.00 0.00 H new ATOM 0 HG1 THR A 44 34.098 37.414 45.698 1.00 0.00 H new ATOM 0 HG21 THR A 44 35.748 36.202 46.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 36.042 34.530 46.314 1.00 0.00 H new ATOM 0 HG23 THR A 44 36.528 35.893 45.279 1.00 0.00 H new ATOM 704 N GLY A 45 32.518 35.560 42.806 1.00 0.00 N ATOM 705 CA GLY A 45 31.135 35.834 42.405 1.00 0.00 C ATOM 706 C GLY A 45 30.449 36.945 43.214 1.00 0.00 C ATOM 707 O GLY A 45 29.262 37.186 42.998 1.00 0.00 O ATOM 0 H GLY A 45 33.174 36.247 42.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.123 36.109 41.350 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.553 34.918 42.502 1.00 0.00 H new ATOM 711 N GLU A 46 31.162 37.616 44.128 1.00 0.00 N ATOM 712 CA GLU A 46 30.654 38.746 44.923 1.00 0.00 C ATOM 713 C GLU A 46 30.376 39.981 44.046 1.00 0.00 C ATOM 714 O GLU A 46 31.153 40.283 43.141 1.00 0.00 O ATOM 715 CB GLU A 46 31.652 39.073 46.050 1.00 0.00 C ATOM 716 CG GLU A 46 31.228 40.213 46.989 1.00 0.00 C ATOM 717 CD GLU A 46 29.943 39.890 47.766 1.00 0.00 C ATOM 718 OE1 GLU A 46 28.842 39.990 47.175 1.00 0.00 O ATOM 719 OE2 GLU A 46 30.035 39.535 48.964 1.00 0.00 O ATOM 0 H GLU A 46 32.132 37.384 44.342 1.00 0.00 H new ATOM 0 HA GLU A 46 29.701 38.457 45.366 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.811 38.174 46.645 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.611 39.331 45.601 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.034 40.416 47.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 31.077 41.122 46.406 1.00 0.00 H new ATOM 726 N THR A 47 29.283 40.695 44.336 1.00 0.00 N ATOM 727 CA THR A 47 28.682 41.791 43.550 1.00 0.00 C ATOM 728 C THR A 47 28.667 43.110 44.327 1.00 0.00 C ATOM 729 O THR A 47 28.395 43.118 45.527 1.00 0.00 O ATOM 730 CB THR A 47 27.240 41.437 43.147 1.00 0.00 C ATOM 731 OG1 THR A 47 26.526 40.905 44.239 1.00 0.00 O ATOM 732 CG2 THR A 47 27.173 40.398 42.032 1.00 0.00 C ATOM 0 H THR A 47 28.752 40.513 45.188 1.00 0.00 H new ATOM 0 HA THR A 47 29.299 41.918 42.661 1.00 0.00 H new ATOM 0 HB THR A 47 26.803 42.374 42.801 1.00 0.00 H new ATOM 0 HG1 THR A 47 25.612 40.689 43.959 1.00 0.00 H new ATOM 0 HG21 THR A 47 26.131 40.189 41.791 1.00 0.00 H new ATOM 0 HG22 THR A 47 27.680 40.781 41.147 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.660 39.480 42.360 1.00 0.00 H new ATOM 740 N GLY A 48 28.900 44.227 43.628 1.00 0.00 N ATOM 741 CA GLY A 48 28.947 45.584 44.191 1.00 0.00 C ATOM 742 C GLY A 48 29.503 46.651 43.242 1.00 0.00 C ATOM 743 O GLY A 48 29.373 46.551 42.020 1.00 0.00 O ATOM 0 H GLY A 48 29.067 44.212 42.622 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.940 45.873 44.491 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.557 45.567 45.094 1.00 0.00 H new ATOM 747 N TYR A 49 30.097 47.693 43.823 1.00 0.00 N ATOM 748 CA TYR A 49 30.702 48.847 43.141 1.00 0.00 C ATOM 749 C TYR A 49 32.243 48.893 43.254 1.00 0.00 C ATOM 750 O TYR A 49 32.847 48.162 44.039 1.00 0.00 O ATOM 751 CB TYR A 49 30.094 50.136 43.723 1.00 0.00 C ATOM 752 CG TYR A 49 28.680 50.437 43.270 1.00 0.00 C ATOM 753 CD1 TYR A 49 28.468 51.210 42.111 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.580 49.993 44.028 1.00 0.00 C ATOM 755 CE1 TYR A 49 27.162 51.562 41.721 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.271 50.340 43.644 1.00 0.00 C ATOM 757 CZ TYR A 49 26.059 51.134 42.495 1.00 0.00 C ATOM 758 OH TYR A 49 24.792 51.493 42.151 1.00 0.00 O ATOM 0 H TYR A 49 30.176 47.763 44.838 1.00 0.00 H new ATOM 0 HA TYR A 49 30.481 48.751 42.078 1.00 0.00 H new ATOM 0 HB2 TYR A 49 30.104 50.066 44.811 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.733 50.976 43.452 1.00 0.00 H new ATOM 0 HD1 TYR A 49 29.311 51.534 41.519 1.00 0.00 H new ATOM 0 HD2 TYR A 49 27.741 49.385 44.906 1.00 0.00 H new ATOM 0 HE1 TYR A 49 27.003 52.157 40.834 1.00 0.00 H new ATOM 0 HE2 TYR A 49 25.429 49.999 44.228 1.00 0.00 H new ATOM 0 HH TYR A 49 24.158 51.110 42.793 1.00 0.00 H new ATOM 768 N ILE A 50 32.874 49.814 42.516 1.00 0.00 N ATOM 769 CA ILE A 50 34.323 50.102 42.498 1.00 0.00 C ATOM 770 C ILE A 50 34.589 51.554 42.043 1.00 0.00 C ATOM 771 O ILE A 50 33.751 52.107 41.323 1.00 0.00 O ATOM 772 CB ILE A 50 35.113 49.102 41.607 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.460 48.728 40.254 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.429 47.809 42.379 1.00 0.00 C ATOM 775 CD1 ILE A 50 34.481 49.824 39.184 1.00 0.00 C ATOM 0 H ILE A 50 32.360 50.418 41.874 1.00 0.00 H new ATOM 0 HA ILE A 50 34.682 49.980 43.520 1.00 0.00 H new ATOM 0 HB ILE A 50 36.020 49.651 41.356 1.00 0.00 H new ATOM 0 HG12 ILE A 50 34.967 47.848 39.857 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.424 48.444 40.437 1.00 0.00 H new ATOM 0 HG21 ILE A 50 35.982 47.126 41.734 1.00 0.00 H new ATOM 0 HG22 ILE A 50 36.031 48.047 43.256 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.499 47.337 42.694 1.00 0.00 H new ATOM 0 HD11 ILE A 50 33.999 49.457 38.278 1.00 0.00 H new ATOM 0 HD12 ILE A 50 33.946 50.700 39.550 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.513 50.095 38.961 1.00 0.00 H new ATOM 787 N PRO A 51 35.722 52.176 42.435 1.00 0.00 N ATOM 788 CA PRO A 51 36.180 53.439 41.874 1.00 0.00 C ATOM 789 C PRO A 51 36.903 53.166 40.551 1.00 0.00 C ATOM 790 O PRO A 51 38.081 52.825 40.493 1.00 0.00 O ATOM 791 CB PRO A 51 37.084 54.055 42.941 1.00 0.00 C ATOM 792 CG PRO A 51 37.702 52.833 43.621 1.00 0.00 C ATOM 793 CD PRO A 51 36.619 51.757 43.504 1.00 0.00 C ATOM 0 HA PRO A 51 35.373 54.132 41.637 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.845 54.699 42.501 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.518 54.665 43.645 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.625 52.526 43.128 1.00 0.00 H new ATOM 0 HG3 PRO A 51 37.950 53.038 44.662 1.00 0.00 H new ATOM 0 HD2 PRO A 51 37.061 50.786 43.279 1.00 0.00 H new ATOM 0 HD3 PRO A 51 36.077 51.650 44.444 1.00 0.00 H new ATOM 801 N SER A 52 36.161 53.310 39.465 1.00 0.00 N ATOM 802 CA SER A 52 36.546 53.024 38.086 1.00 0.00 C ATOM 803 C SER A 52 37.836 53.706 37.598 1.00 0.00 C ATOM 804 O SER A 52 38.676 52.991 37.036 1.00 0.00 O ATOM 805 CB SER A 52 35.359 53.374 37.182 1.00 0.00 C ATOM 806 OG SER A 52 34.162 52.895 37.772 1.00 0.00 O ATOM 0 H SER A 52 35.203 53.655 39.525 1.00 0.00 H new ATOM 0 HA SER A 52 36.790 51.963 38.040 1.00 0.00 H new ATOM 0 HB2 SER A 52 35.301 54.453 37.040 1.00 0.00 H new ATOM 0 HB3 SER A 52 35.495 52.930 36.196 1.00 0.00 H new ATOM 0 HG SER A 52 33.566 52.554 37.073 1.00 0.00 H new ATOM 812 N PRO A 53 38.060 55.027 37.814 1.00 0.00 N ATOM 813 CA PRO A 53 39.282 55.695 37.365 1.00 0.00 C ATOM 814 C PRO A 53 40.524 55.292 38.179 1.00 0.00 C ATOM 815 O PRO A 53 41.642 55.533 37.730 1.00 0.00 O ATOM 816 CB PRO A 53 38.992 57.194 37.460 1.00 0.00 C ATOM 817 CG PRO A 53 37.993 57.284 38.607 1.00 0.00 C ATOM 818 CD PRO A 53 37.175 56.006 38.451 1.00 0.00 C ATOM 0 HA PRO A 53 39.529 55.398 36.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 39.896 57.767 37.668 1.00 0.00 H new ATOM 0 HB3 PRO A 53 38.575 57.583 36.531 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.493 57.328 39.575 1.00 0.00 H new ATOM 0 HG3 PRO A 53 37.369 58.174 38.530 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.829 55.645 39.420 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.289 56.183 37.842 1.00 0.00 H new