USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 417 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 130:sc= 1.25 USER MOD Set 1.2: A 43 THR OG1 : rot -71:sc= 0.626 USER MOD Set 1.3: A 44 THR OG1 : rot -160:sc= 0.611 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.289 K(o=1.5,f=-1.6!) USER MOD Set 2.2: A 32 SER OG : rot 177:sc= 1.22 USER MOD Single : A 1 SER N :NH3+ -169:sc= 1.19 (180deg=0.932) USER MOD Single : A 1 SER OG : rot -60:sc= 0.297 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -157:sc= 0.196 USER MOD Single : A 14 THR OG1 : rot -46:sc= 0.952 USER MOD Single : A 19 SER OG : rot 180:sc= 0.812 USER MOD Single : A 21 HIS : no HE2:sc= 0.0107 K(o=0.011,f=-1.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 1.7 (180deg=0.918) USER MOD Single : A 27 GLN : amide:sc= -0.105 K(o=-0.11,f=-2.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 110:sc= 0.141 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -75:sc= 0.0205 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.133 42.771 30.743 1.00 0.00 N ATOM 2 CA SER A 1 29.478 43.359 29.441 1.00 0.00 C ATOM 3 C SER A 1 30.879 42.943 28.965 1.00 0.00 C ATOM 4 O SER A 1 31.054 42.702 27.765 1.00 0.00 O ATOM 5 CB SER A 1 29.331 44.895 29.462 1.00 0.00 C ATOM 6 OG SER A 1 30.463 45.576 29.971 1.00 0.00 O ATOM 0 H1 SER A 1 28.122 42.923 30.936 1.00 0.00 H new ATOM 0 H2 SER A 1 29.333 41.750 30.727 1.00 0.00 H new ATOM 0 H3 SER A 1 29.700 43.223 31.489 1.00 0.00 H new ATOM 0 HA SER A 1 28.766 42.961 28.718 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.135 45.245 28.448 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.461 45.158 30.064 1.00 0.00 H new ATOM 0 HG SER A 1 30.631 45.288 30.892 1.00 0.00 H new ATOM 12 N THR A 2 31.861 42.813 29.883 1.00 0.00 N ATOM 13 CA THR A 2 33.262 42.475 29.585 1.00 0.00 C ATOM 14 C THR A 2 34.101 42.180 30.838 1.00 0.00 C ATOM 15 O THR A 2 33.703 42.472 31.968 1.00 0.00 O ATOM 16 CB THR A 2 33.911 43.548 28.693 1.00 0.00 C ATOM 17 OG1 THR A 2 35.049 42.964 28.108 1.00 0.00 O ATOM 18 CG2 THR A 2 34.297 44.831 29.436 1.00 0.00 C ATOM 0 H THR A 2 31.692 42.945 30.880 1.00 0.00 H new ATOM 0 HA THR A 2 33.242 41.539 29.027 1.00 0.00 H new ATOM 0 HB THR A 2 33.179 43.863 27.950 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.491 43.619 27.528 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.748 45.535 28.736 1.00 0.00 H new ATOM 0 HG22 THR A 2 33.406 45.278 29.877 1.00 0.00 H new ATOM 0 HG23 THR A 2 35.012 44.594 30.224 1.00 0.00 H new ATOM 26 N LEU A 3 35.264 41.578 30.590 1.00 0.00 N ATOM 27 CA LEU A 3 36.286 41.136 31.541 1.00 0.00 C ATOM 28 C LEU A 3 37.410 42.177 31.708 1.00 0.00 C ATOM 29 O LEU A 3 37.733 42.915 30.772 1.00 0.00 O ATOM 30 CB LEU A 3 36.870 39.794 31.049 1.00 0.00 C ATOM 31 CG LEU A 3 35.839 38.691 30.728 1.00 0.00 C ATOM 32 CD1 LEU A 3 36.565 37.440 30.214 1.00 0.00 C ATOM 33 CD2 LEU A 3 34.972 38.339 31.946 1.00 0.00 C ATOM 0 H LEU A 3 35.541 41.368 29.631 1.00 0.00 H new ATOM 0 HA LEU A 3 35.820 41.013 32.519 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.462 39.983 30.154 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.554 39.416 31.809 1.00 0.00 H new ATOM 0 HG LEU A 3 35.171 39.073 29.956 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.835 36.663 29.988 1.00 0.00 H new ATOM 0 HD12 LEU A 3 37.122 37.688 29.311 1.00 0.00 H new ATOM 0 HD13 LEU A 3 37.254 37.080 30.978 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.261 37.559 31.673 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.609 37.983 32.755 1.00 0.00 H new ATOM 0 HD23 LEU A 3 34.429 39.225 32.275 1.00 0.00 H new ATOM 45 N PHE A 4 38.082 42.165 32.865 1.00 0.00 N ATOM 46 CA PHE A 4 38.980 43.235 33.311 1.00 0.00 C ATOM 47 C PHE A 4 39.903 42.779 34.460 1.00 0.00 C ATOM 48 O PHE A 4 39.537 41.911 35.253 1.00 0.00 O ATOM 49 CB PHE A 4 38.117 44.444 33.721 1.00 0.00 C ATOM 50 CG PHE A 4 38.815 45.779 33.599 1.00 0.00 C ATOM 51 CD1 PHE A 4 38.952 46.378 32.333 1.00 0.00 C ATOM 52 CD2 PHE A 4 39.323 46.426 34.737 1.00 0.00 C ATOM 53 CE1 PHE A 4 39.605 47.615 32.204 1.00 0.00 C ATOM 54 CE2 PHE A 4 39.984 47.660 34.607 1.00 0.00 C ATOM 55 CZ PHE A 4 40.126 48.256 33.342 1.00 0.00 C ATOM 0 H PHE A 4 38.015 41.395 33.531 1.00 0.00 H new ATOM 0 HA PHE A 4 39.645 43.514 32.493 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.219 44.460 33.104 1.00 0.00 H new ATOM 0 HB3 PHE A 4 37.793 44.310 34.753 1.00 0.00 H new ATOM 0 HD1 PHE A 4 38.554 45.885 31.458 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.206 45.976 35.712 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.707 48.073 31.231 1.00 0.00 H new ATOM 0 HE2 PHE A 4 40.384 48.151 35.482 1.00 0.00 H new ATOM 0 HZ PHE A 4 40.634 49.204 33.244 1.00 0.00 H new ATOM 65 N GLU A 5 41.124 43.316 34.525 1.00 0.00 N ATOM 66 CA GLU A 5 42.046 43.157 35.663 1.00 0.00 C ATOM 67 C GLU A 5 42.074 44.439 36.510 1.00 0.00 C ATOM 68 O GLU A 5 41.974 45.541 35.974 1.00 0.00 O ATOM 69 CB GLU A 5 43.449 42.808 35.134 1.00 0.00 C ATOM 70 CG GLU A 5 44.502 42.654 36.241 1.00 0.00 C ATOM 71 CD GLU A 5 45.735 41.893 35.740 1.00 0.00 C ATOM 72 OE1 GLU A 5 46.629 42.515 35.121 1.00 0.00 O ATOM 73 OE2 GLU A 5 45.804 40.664 35.976 1.00 0.00 O ATOM 0 H GLU A 5 41.512 43.887 33.774 1.00 0.00 H new ATOM 0 HA GLU A 5 41.701 42.345 36.304 1.00 0.00 H new ATOM 0 HB2 GLU A 5 43.393 41.880 34.565 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.772 43.587 34.443 1.00 0.00 H new ATOM 0 HG2 GLU A 5 44.802 43.639 36.600 1.00 0.00 H new ATOM 0 HG3 GLU A 5 44.066 42.125 37.089 1.00 0.00 H new ATOM 80 N ALA A 6 42.265 44.329 37.825 1.00 0.00 N ATOM 81 CA ALA A 6 42.525 45.424 38.745 1.00 0.00 C ATOM 82 C ALA A 6 43.974 45.899 38.590 1.00 0.00 C ATOM 83 O ALA A 6 44.915 45.193 38.959 1.00 0.00 O ATOM 84 CB ALA A 6 42.254 44.906 40.164 1.00 0.00 C ATOM 0 H ALA A 6 42.240 43.425 38.296 1.00 0.00 H new ATOM 0 HA ALA A 6 41.880 46.278 38.537 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.439 45.703 40.884 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.216 44.582 40.241 1.00 0.00 H new ATOM 0 HB3 ALA A 6 42.914 44.065 40.376 1.00 0.00 H new ATOM 90 N LEU A 7 44.157 47.097 38.044 1.00 0.00 N ATOM 91 CA LEU A 7 45.453 47.696 37.717 1.00 0.00 C ATOM 92 C LEU A 7 46.048 48.527 38.867 1.00 0.00 C ATOM 93 O LEU A 7 47.131 49.094 38.719 1.00 0.00 O ATOM 94 CB LEU A 7 45.276 48.505 36.415 1.00 0.00 C ATOM 95 CG LEU A 7 44.785 47.669 35.208 1.00 0.00 C ATOM 96 CD1 LEU A 7 44.622 48.569 33.977 1.00 0.00 C ATOM 97 CD2 LEU A 7 45.743 46.511 34.878 1.00 0.00 C ATOM 0 H LEU A 7 43.374 47.706 37.806 1.00 0.00 H new ATOM 0 HA LEU A 7 46.190 46.908 37.564 1.00 0.00 H new ATOM 0 HB2 LEU A 7 44.566 49.312 36.596 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.228 48.970 36.157 1.00 0.00 H new ATOM 0 HG LEU A 7 43.823 47.237 35.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.276 47.972 33.133 1.00 0.00 H new ATOM 0 HD12 LEU A 7 43.893 49.350 34.192 1.00 0.00 H new ATOM 0 HD13 LEU A 7 45.581 49.025 33.730 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.358 45.952 34.025 1.00 0.00 H new ATOM 0 HD22 LEU A 7 46.727 46.911 34.635 1.00 0.00 H new ATOM 0 HD23 LEU A 7 45.823 45.848 35.740 1.00 0.00 H new ATOM 109 N TYR A 8 45.408 48.514 40.041 1.00 0.00 N ATOM 110 CA TYR A 8 45.754 49.285 41.241 1.00 0.00 C ATOM 111 C TYR A 8 44.982 48.743 42.468 1.00 0.00 C ATOM 112 O TYR A 8 43.964 48.065 42.307 1.00 0.00 O ATOM 113 CB TYR A 8 45.445 50.768 40.973 1.00 0.00 C ATOM 114 CG TYR A 8 45.873 51.734 42.058 1.00 0.00 C ATOM 115 CD1 TYR A 8 47.235 52.048 42.223 1.00 0.00 C ATOM 116 CD2 TYR A 8 44.908 52.351 42.876 1.00 0.00 C ATOM 117 CE1 TYR A 8 47.632 52.988 43.191 1.00 0.00 C ATOM 118 CE2 TYR A 8 45.298 53.299 43.841 1.00 0.00 C ATOM 119 CZ TYR A 8 46.664 53.624 43.997 1.00 0.00 C ATOM 120 OH TYR A 8 47.056 54.550 44.912 1.00 0.00 O ATOM 0 H TYR A 8 44.585 47.930 40.188 1.00 0.00 H new ATOM 0 HA TYR A 8 46.816 49.185 41.467 1.00 0.00 H new ATOM 0 HB2 TYR A 8 45.930 51.059 40.041 1.00 0.00 H new ATOM 0 HB3 TYR A 8 44.371 50.875 40.820 1.00 0.00 H new ATOM 0 HD1 TYR A 8 47.977 51.566 41.604 1.00 0.00 H new ATOM 0 HD2 TYR A 8 43.865 52.096 42.763 1.00 0.00 H new ATOM 0 HE1 TYR A 8 48.678 53.223 43.317 1.00 0.00 H new ATOM 0 HE2 TYR A 8 44.554 53.777 44.461 1.00 0.00 H new ATOM 0 HH TYR A 8 46.270 54.895 45.385 1.00 0.00 H new ATOM 130 N ASP A 9 45.478 48.992 43.683 1.00 0.00 N ATOM 131 CA ASP A 9 44.883 48.490 44.932 1.00 0.00 C ATOM 132 C ASP A 9 43.769 49.399 45.494 1.00 0.00 C ATOM 133 O ASP A 9 43.802 50.622 45.343 1.00 0.00 O ATOM 134 CB ASP A 9 45.978 48.288 45.988 1.00 0.00 C ATOM 135 CG ASP A 9 47.067 47.307 45.532 1.00 0.00 C ATOM 136 OD1 ASP A 9 46.827 46.080 45.613 1.00 0.00 O ATOM 137 OD2 ASP A 9 48.151 47.774 45.113 1.00 0.00 O ATOM 0 H ASP A 9 46.315 49.555 43.833 1.00 0.00 H new ATOM 0 HA ASP A 9 44.411 47.538 44.689 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.435 49.250 46.220 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.526 47.920 46.909 1.00 0.00 H new ATOM 142 N TYR A 10 42.798 48.797 46.193 1.00 0.00 N ATOM 143 CA TYR A 10 41.623 49.485 46.751 1.00 0.00 C ATOM 144 C TYR A 10 41.039 48.772 47.992 1.00 0.00 C ATOM 145 O TYR A 10 41.308 47.591 48.221 1.00 0.00 O ATOM 146 CB TYR A 10 40.569 49.633 45.639 1.00 0.00 C ATOM 147 CG TYR A 10 39.437 50.575 45.987 1.00 0.00 C ATOM 148 CD1 TYR A 10 39.706 51.943 46.181 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.135 50.081 46.186 1.00 0.00 C ATOM 150 CE1 TYR A 10 38.684 52.811 46.602 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.108 50.941 46.617 1.00 0.00 C ATOM 152 CZ TYR A 10 37.386 52.310 46.836 1.00 0.00 C ATOM 153 OH TYR A 10 36.415 53.150 47.275 1.00 0.00 O ATOM 0 H TYR A 10 42.806 47.797 46.391 1.00 0.00 H new ATOM 0 HA TYR A 10 41.935 50.468 47.104 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.059 49.989 44.733 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.154 48.651 45.412 1.00 0.00 H new ATOM 0 HD1 TYR A 10 40.700 52.327 46.006 1.00 0.00 H new ATOM 0 HD2 TYR A 10 37.923 49.037 46.007 1.00 0.00 H new ATOM 0 HE1 TYR A 10 38.892 53.861 46.746 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.112 50.557 46.780 1.00 0.00 H new ATOM 0 HH TYR A 10 35.717 52.634 47.729 1.00 0.00 H new ATOM 163 N GLU A 11 40.193 49.451 48.779 1.00 0.00 N ATOM 164 CA GLU A 11 39.672 48.975 50.064 1.00 0.00 C ATOM 165 C GLU A 11 38.402 49.761 50.440 1.00 0.00 C ATOM 166 O GLU A 11 38.415 50.989 50.540 1.00 0.00 O ATOM 167 CB GLU A 11 40.748 49.116 51.158 1.00 0.00 C ATOM 168 CG GLU A 11 40.346 48.424 52.465 1.00 0.00 C ATOM 169 CD GLU A 11 41.363 48.709 53.578 1.00 0.00 C ATOM 170 OE1 GLU A 11 42.397 48.005 53.653 1.00 0.00 O ATOM 171 OE2 GLU A 11 41.123 49.638 54.383 1.00 0.00 O ATOM 0 H GLU A 11 39.843 50.376 48.529 1.00 0.00 H new ATOM 0 HA GLU A 11 39.411 47.920 49.976 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.685 48.692 50.799 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.930 50.173 51.351 1.00 0.00 H new ATOM 0 HG2 GLU A 11 39.359 48.768 52.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 40.272 47.349 52.303 1.00 0.00 H new ATOM 178 N ALA A 12 37.310 49.038 50.674 1.00 0.00 N ATOM 179 CA ALA A 12 35.940 49.524 50.752 1.00 0.00 C ATOM 180 C ALA A 12 35.672 50.588 51.839 1.00 0.00 C ATOM 181 O ALA A 12 35.686 50.301 53.040 1.00 0.00 O ATOM 182 CB ALA A 12 35.037 48.300 50.939 1.00 0.00 C ATOM 0 H ALA A 12 37.365 48.031 50.824 1.00 0.00 H new ATOM 0 HA ALA A 12 35.726 50.056 49.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.997 48.621 51.002 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.158 47.626 50.091 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.313 47.781 51.857 1.00 0.00 H new ATOM 188 N ARG A 13 35.180 51.740 51.375 1.00 0.00 N ATOM 189 CA ARG A 13 34.943 52.946 52.177 1.00 0.00 C ATOM 190 C ARG A 13 33.598 52.932 52.925 1.00 0.00 C ATOM 191 O ARG A 13 33.530 53.450 54.044 1.00 0.00 O ATOM 192 CB ARG A 13 35.007 54.182 51.262 1.00 0.00 C ATOM 193 CG ARG A 13 36.334 54.423 50.517 1.00 0.00 C ATOM 194 CD ARG A 13 37.537 54.749 51.417 1.00 0.00 C ATOM 195 NE ARG A 13 38.203 53.527 51.888 1.00 0.00 N ATOM 196 CZ ARG A 13 39.087 53.394 52.864 1.00 0.00 C ATOM 197 NH1 ARG A 13 39.515 54.412 53.585 1.00 0.00 N ATOM 198 NH2 ARG A 13 39.551 52.189 53.104 1.00 0.00 N ATOM 0 H ARG A 13 34.926 51.864 50.395 1.00 0.00 H new ATOM 0 HA ARG A 13 35.723 52.978 52.938 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.211 54.099 50.522 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.790 55.064 51.865 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.569 53.535 49.930 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.194 55.243 49.813 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.249 55.364 50.866 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.204 55.336 52.273 1.00 0.00 H new ATOM 0 HE ARG A 13 37.951 52.668 51.399 1.00 0.00 H new ATOM 0 HH11 ARG A 13 39.163 55.351 53.400 1.00 0.00 H new ATOM 0 HH12 ARG A 13 40.198 54.260 54.327 1.00 0.00 H new ATOM 0 HH21 ARG A 13 39.229 51.398 52.547 1.00 0.00 H new ATOM 0 HH22 ARG A 13 40.234 52.044 53.848 1.00 0.00 H new ATOM 212 N THR A 14 32.539 52.358 52.335 1.00 0.00 N ATOM 213 CA THR A 14 31.222 52.110 52.956 1.00 0.00 C ATOM 214 C THR A 14 30.991 50.595 53.066 1.00 0.00 C ATOM 215 O THR A 14 31.913 49.796 52.903 1.00 0.00 O ATOM 216 CB THR A 14 30.074 52.838 52.211 1.00 0.00 C ATOM 217 OG1 THR A 14 29.664 52.116 51.079 1.00 0.00 O ATOM 218 CG2 THR A 14 30.402 54.265 51.770 1.00 0.00 C ATOM 0 H THR A 14 32.575 52.038 51.367 1.00 0.00 H new ATOM 0 HA THR A 14 31.221 52.532 53.961 1.00 0.00 H new ATOM 0 HB THR A 14 29.276 52.899 52.951 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.452 51.822 50.576 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.541 54.695 51.258 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.643 54.870 52.644 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.256 54.249 51.093 1.00 0.00 H new ATOM 226 N GLU A 15 29.753 50.199 53.333 1.00 0.00 N ATOM 227 CA GLU A 15 29.237 48.832 53.304 1.00 0.00 C ATOM 228 C GLU A 15 28.869 48.320 51.887 1.00 0.00 C ATOM 229 O GLU A 15 28.547 47.141 51.732 1.00 0.00 O ATOM 230 CB GLU A 15 28.008 48.767 54.234 1.00 0.00 C ATOM 231 CG GLU A 15 26.865 49.744 53.887 1.00 0.00 C ATOM 232 CD GLU A 15 26.897 51.031 54.728 1.00 0.00 C ATOM 233 OE1 GLU A 15 27.813 51.858 54.528 1.00 0.00 O ATOM 234 OE2 GLU A 15 25.999 51.224 55.581 1.00 0.00 O ATOM 0 H GLU A 15 29.031 50.870 53.594 1.00 0.00 H new ATOM 0 HA GLU A 15 30.035 48.172 53.645 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.613 47.751 54.216 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.335 48.964 55.255 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.926 50.006 52.831 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.909 49.243 54.036 1.00 0.00 H new ATOM 241 N ASP A 16 28.870 49.185 50.862 1.00 0.00 N ATOM 242 CA ASP A 16 28.306 48.921 49.527 1.00 0.00 C ATOM 243 C ASP A 16 29.354 48.661 48.424 1.00 0.00 C ATOM 244 O ASP A 16 29.087 47.917 47.477 1.00 0.00 O ATOM 245 CB ASP A 16 27.452 50.139 49.138 1.00 0.00 C ATOM 246 CG ASP A 16 26.572 49.886 47.904 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.712 48.975 47.957 1.00 0.00 O ATOM 248 OD2 ASP A 16 26.700 50.644 46.914 1.00 0.00 O ATOM 0 H ASP A 16 29.276 50.117 50.940 1.00 0.00 H new ATOM 0 HA ASP A 16 27.726 48.001 49.597 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.817 50.414 49.980 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.107 50.988 48.942 1.00 0.00 H new ATOM 253 N ASP A 17 30.538 49.269 48.535 1.00 0.00 N ATOM 254 CA ASP A 17 31.656 49.124 47.601 1.00 0.00 C ATOM 255 C ASP A 17 32.585 47.939 47.943 1.00 0.00 C ATOM 256 O ASP A 17 32.613 47.454 49.076 1.00 0.00 O ATOM 257 CB ASP A 17 32.393 50.469 47.434 1.00 0.00 C ATOM 258 CG ASP A 17 32.939 51.140 48.710 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.162 51.358 49.675 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.133 51.529 48.696 1.00 0.00 O ATOM 0 H ASP A 17 30.752 49.900 49.308 1.00 0.00 H new ATOM 0 HA ASP A 17 31.246 48.860 46.626 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.228 50.313 46.751 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.712 51.169 46.950 1.00 0.00 H new ATOM 265 N LEU A 18 33.316 47.434 46.939 1.00 0.00 N ATOM 266 CA LEU A 18 34.118 46.205 47.036 1.00 0.00 C ATOM 267 C LEU A 18 35.608 46.480 47.293 1.00 0.00 C ATOM 268 O LEU A 18 36.200 47.369 46.686 1.00 0.00 O ATOM 269 CB LEU A 18 33.968 45.362 45.751 1.00 0.00 C ATOM 270 CG LEU A 18 32.532 44.980 45.334 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.600 44.037 44.122 1.00 0.00 C ATOM 272 CD2 LEU A 18 31.745 44.308 46.468 1.00 0.00 C ATOM 0 H LEU A 18 33.368 47.875 46.021 1.00 0.00 H new ATOM 0 HA LEU A 18 33.734 45.654 47.895 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.426 45.912 44.929 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.541 44.443 45.878 1.00 0.00 H new ATOM 0 HG LEU A 18 32.003 45.899 45.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.590 43.761 43.819 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.101 44.542 43.296 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.157 43.139 44.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.742 44.061 46.119 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.257 43.396 46.775 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.676 44.989 47.316 1.00 0.00 H new ATOM 284 N SER A 19 36.236 45.659 48.136 1.00 0.00 N ATOM 285 CA SER A 19 37.702 45.592 48.274 1.00 0.00 C ATOM 286 C SER A 19 38.336 44.567 47.321 1.00 0.00 C ATOM 287 O SER A 19 37.702 43.569 46.966 1.00 0.00 O ATOM 288 CB SER A 19 38.082 45.202 49.702 1.00 0.00 C ATOM 289 OG SER A 19 37.669 46.207 50.600 1.00 0.00 O ATOM 0 H SER A 19 35.741 45.013 48.751 1.00 0.00 H new ATOM 0 HA SER A 19 38.079 46.584 48.025 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.615 44.253 49.965 1.00 0.00 H new ATOM 0 HB3 SER A 19 39.160 45.058 49.774 1.00 0.00 H new ATOM 0 HG SER A 19 37.914 45.950 51.514 1.00 0.00 H new ATOM 295 N PHE A 20 39.611 44.779 46.961 1.00 0.00 N ATOM 296 CA PHE A 20 40.389 43.926 46.054 1.00 0.00 C ATOM 297 C PHE A 20 41.905 44.194 46.165 1.00 0.00 C ATOM 298 O PHE A 20 42.372 44.782 47.140 1.00 0.00 O ATOM 299 CB PHE A 20 39.829 44.041 44.619 1.00 0.00 C ATOM 300 CG PHE A 20 39.676 45.444 44.052 1.00 0.00 C ATOM 301 CD1 PHE A 20 40.734 46.051 43.347 1.00 0.00 C ATOM 302 CD2 PHE A 20 38.447 46.123 44.176 1.00 0.00 C ATOM 303 CE1 PHE A 20 40.552 47.314 42.755 1.00 0.00 C ATOM 304 CE2 PHE A 20 38.266 47.383 43.579 1.00 0.00 C ATOM 305 CZ PHE A 20 39.316 47.975 42.859 1.00 0.00 C ATOM 0 H PHE A 20 40.145 45.576 47.306 1.00 0.00 H new ATOM 0 HA PHE A 20 40.276 42.884 46.355 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.481 43.475 43.954 1.00 0.00 H new ATOM 0 HB3 PHE A 20 38.853 43.557 44.596 1.00 0.00 H new ATOM 0 HD1 PHE A 20 41.685 45.546 43.261 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.639 45.672 44.733 1.00 0.00 H new ATOM 0 HE1 PHE A 20 41.366 47.778 42.218 1.00 0.00 H new ATOM 0 HE2 PHE A 20 37.320 47.895 43.674 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.174 48.936 42.386 1.00 0.00 H new ATOM 315 N HIS A 21 42.692 43.764 45.177 1.00 0.00 N ATOM 316 CA HIS A 21 44.131 44.002 45.076 1.00 0.00 C ATOM 317 C HIS A 21 44.542 44.113 43.597 1.00 0.00 C ATOM 318 O HIS A 21 43.838 43.624 42.708 1.00 0.00 O ATOM 319 CB HIS A 21 44.906 42.891 45.808 1.00 0.00 C ATOM 320 CG HIS A 21 44.961 41.567 45.081 1.00 0.00 C ATOM 321 ND1 HIS A 21 43.932 40.669 44.924 1.00 0.00 N ATOM 322 CD2 HIS A 21 46.048 41.037 44.439 1.00 0.00 C ATOM 323 CE1 HIS A 21 44.383 39.640 44.191 1.00 0.00 C ATOM 324 NE2 HIS A 21 45.677 39.812 43.873 1.00 0.00 N ATOM 0 H HIS A 21 42.329 43.219 44.395 1.00 0.00 H new ATOM 0 HA HIS A 21 44.380 44.946 45.560 1.00 0.00 H new ATOM 0 HB2 HIS A 21 45.925 43.235 45.984 1.00 0.00 H new ATOM 0 HB3 HIS A 21 44.450 42.733 46.785 1.00 0.00 H new ATOM 0 HD1 HIS A 21 42.989 40.768 45.300 1.00 0.00 H new ATOM 0 HD2 HIS A 21 47.027 41.488 44.379 1.00 0.00 H new ATOM 0 HE1 HIS A 21 43.787 38.789 43.896 1.00 0.00 H new ATOM 332 N LYS A 22 45.668 44.769 43.318 1.00 0.00 N ATOM 333 CA LYS A 22 46.244 44.832 41.978 1.00 0.00 C ATOM 334 C LYS A 22 46.613 43.416 41.493 1.00 0.00 C ATOM 335 O LYS A 22 47.451 42.738 42.094 1.00 0.00 O ATOM 336 CB LYS A 22 47.439 45.801 41.966 1.00 0.00 C ATOM 337 CG LYS A 22 47.997 45.962 40.546 1.00 0.00 C ATOM 338 CD LYS A 22 49.109 47.016 40.482 1.00 0.00 C ATOM 339 CE LYS A 22 49.681 47.047 39.061 1.00 0.00 C ATOM 340 NZ LYS A 22 50.681 48.128 38.878 1.00 0.00 N ATOM 0 H LYS A 22 46.208 45.274 44.020 1.00 0.00 H new ATOM 0 HA LYS A 22 45.510 45.224 41.274 1.00 0.00 H new ATOM 0 HB2 LYS A 22 47.129 46.772 42.352 1.00 0.00 H new ATOM 0 HB3 LYS A 22 48.221 45.429 42.629 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.385 45.004 40.198 1.00 0.00 H new ATOM 0 HG3 LYS A 22 47.190 46.244 39.869 1.00 0.00 H new ATOM 0 HD2 LYS A 22 48.716 47.996 40.752 1.00 0.00 H new ATOM 0 HD3 LYS A 22 49.895 46.779 41.200 1.00 0.00 H new ATOM 0 HE2 LYS A 22 50.144 46.086 38.837 1.00 0.00 H new ATOM 0 HE3 LYS A 22 48.868 47.183 38.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.039 48.108 37.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 50.235 49.049 39.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 51.471 47.986 39.539 1.00 0.00 H new ATOM 354 N GLY A 23 45.980 42.979 40.403 1.00 0.00 N ATOM 355 CA GLY A 23 46.036 41.626 39.840 1.00 0.00 C ATOM 356 C GLY A 23 44.750 40.813 40.024 1.00 0.00 C ATOM 357 O GLY A 23 44.622 39.763 39.391 1.00 0.00 O ATOM 0 H GLY A 23 45.379 43.595 39.856 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.258 41.697 38.775 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.862 41.086 40.303 1.00 0.00 H new ATOM 361 N GLU A 24 43.786 41.269 40.835 1.00 0.00 N ATOM 362 CA GLU A 24 42.473 40.630 40.947 1.00 0.00 C ATOM 363 C GLU A 24 41.658 40.798 39.655 1.00 0.00 C ATOM 364 O GLU A 24 41.834 41.759 38.906 1.00 0.00 O ATOM 365 CB GLU A 24 41.701 41.154 42.173 1.00 0.00 C ATOM 366 CG GLU A 24 40.708 40.091 42.675 1.00 0.00 C ATOM 367 CD GLU A 24 40.070 40.434 44.025 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.836 40.743 44.970 1.00 0.00 O ATOM 369 OE2 GLU A 24 38.823 40.322 44.127 1.00 0.00 O ATOM 0 H GLU A 24 43.897 42.090 41.430 1.00 0.00 H new ATOM 0 HA GLU A 24 42.636 39.562 41.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.400 41.412 42.968 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.165 42.066 41.911 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.920 39.963 41.933 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.225 39.135 42.760 1.00 0.00 H new ATOM 376 N LYS A 25 40.768 39.845 39.374 1.00 0.00 N ATOM 377 CA LYS A 25 40.022 39.766 38.116 1.00 0.00 C ATOM 378 C LYS A 25 38.533 40.113 38.319 1.00 0.00 C ATOM 379 O LYS A 25 37.900 39.662 39.281 1.00 0.00 O ATOM 380 CB LYS A 25 40.212 38.357 37.522 1.00 0.00 C ATOM 381 CG LYS A 25 41.659 37.859 37.382 1.00 0.00 C ATOM 382 CD LYS A 25 42.436 38.576 36.270 1.00 0.00 C ATOM 383 CE LYS A 25 43.757 37.843 36.003 1.00 0.00 C ATOM 384 NZ LYS A 25 44.827 38.219 36.956 1.00 0.00 N ATOM 0 H LYS A 25 40.541 39.093 40.025 1.00 0.00 H new ATOM 0 HA LYS A 25 40.409 40.504 37.413 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.666 37.648 38.145 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.748 38.338 36.536 1.00 0.00 H new ATOM 0 HG2 LYS A 25 42.179 38.000 38.330 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.651 36.788 37.179 1.00 0.00 H new ATOM 0 HD2 LYS A 25 41.838 38.610 35.359 1.00 0.00 H new ATOM 0 HD3 LYS A 25 42.634 39.608 36.560 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.588 36.768 36.060 1.00 0.00 H new ATOM 0 HE3 LYS A 25 44.089 38.060 34.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.482 37.420 37.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 45.347 39.041 36.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.404 38.460 37.875 1.00 0.00 H new ATOM 398 N PHE A 26 37.965 40.905 37.408 1.00 0.00 N ATOM 399 CA PHE A 26 36.633 41.504 37.504 1.00 0.00 C ATOM 400 C PHE A 26 35.824 41.375 36.203 1.00 0.00 C ATOM 401 O PHE A 26 36.346 41.499 35.097 1.00 0.00 O ATOM 402 CB PHE A 26 36.792 42.992 37.869 1.00 0.00 C ATOM 403 CG PHE A 26 36.911 43.256 39.355 1.00 0.00 C ATOM 404 CD1 PHE A 26 38.152 43.144 40.012 1.00 0.00 C ATOM 405 CD2 PHE A 26 35.763 43.616 40.087 1.00 0.00 C ATOM 406 CE1 PHE A 26 38.238 43.381 41.394 1.00 0.00 C ATOM 407 CE2 PHE A 26 35.851 43.859 41.467 1.00 0.00 C ATOM 408 CZ PHE A 26 37.087 43.731 42.122 1.00 0.00 C ATOM 0 H PHE A 26 38.443 41.158 36.543 1.00 0.00 H new ATOM 0 HA PHE A 26 36.078 40.966 38.272 1.00 0.00 H new ATOM 0 HB2 PHE A 26 37.678 43.385 37.369 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.936 43.544 37.481 1.00 0.00 H new ATOM 0 HD1 PHE A 26 39.037 42.876 39.454 1.00 0.00 H new ATOM 0 HD2 PHE A 26 34.811 43.706 39.585 1.00 0.00 H new ATOM 0 HE1 PHE A 26 39.189 43.294 41.898 1.00 0.00 H new ATOM 0 HE2 PHE A 26 34.970 44.144 42.024 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.153 43.902 43.186 1.00 0.00 H new ATOM 418 N GLN A 27 34.511 41.241 36.366 1.00 0.00 N ATOM 419 CA GLN A 27 33.479 41.388 35.347 1.00 0.00 C ATOM 420 C GLN A 27 32.803 42.755 35.546 1.00 0.00 C ATOM 421 O GLN A 27 32.390 43.095 36.654 1.00 0.00 O ATOM 422 CB GLN A 27 32.507 40.202 35.498 1.00 0.00 C ATOM 423 CG GLN A 27 31.197 40.309 34.705 1.00 0.00 C ATOM 424 CD GLN A 27 30.332 39.055 34.879 1.00 0.00 C ATOM 425 OE1 GLN A 27 29.423 38.993 35.698 1.00 0.00 O ATOM 426 NE2 GLN A 27 30.590 37.993 34.140 1.00 0.00 N ATOM 0 H GLN A 27 34.114 41.011 37.277 1.00 0.00 H new ATOM 0 HA GLN A 27 33.876 41.368 34.332 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.023 39.292 35.191 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.263 40.089 36.554 1.00 0.00 H new ATOM 0 HG2 GLN A 27 30.640 41.185 35.036 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.421 40.454 33.648 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.342 38.021 33.452 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.037 37.144 34.257 1.00 0.00 H new ATOM 435 N ILE A 28 32.683 43.535 34.471 1.00 0.00 N ATOM 436 CA ILE A 28 32.006 44.837 34.442 1.00 0.00 C ATOM 437 C ILE A 28 30.586 44.634 33.912 1.00 0.00 C ATOM 438 O ILE A 28 30.392 44.311 32.735 1.00 0.00 O ATOM 439 CB ILE A 28 32.777 45.853 33.567 1.00 0.00 C ATOM 440 CG1 ILE A 28 34.288 45.941 33.877 1.00 0.00 C ATOM 441 CG2 ILE A 28 32.113 47.243 33.666 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.641 46.205 35.345 1.00 0.00 C ATOM 0 H ILE A 28 33.067 43.271 33.564 1.00 0.00 H new ATOM 0 HA ILE A 28 31.971 45.247 35.451 1.00 0.00 H new ATOM 0 HB ILE A 28 32.716 45.483 32.544 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.760 45.008 33.569 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.722 46.734 33.268 1.00 0.00 H new ATOM 0 HG21 ILE A 28 32.662 47.953 33.047 1.00 0.00 H new ATOM 0 HG22 ILE A 28 31.082 47.179 33.318 1.00 0.00 H new ATOM 0 HG23 ILE A 28 32.126 47.579 34.703 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.724 46.249 35.457 1.00 0.00 H new ATOM 0 HD12 ILE A 28 34.205 47.153 35.659 1.00 0.00 H new ATOM 0 HD13 ILE A 28 34.245 45.401 35.965 1.00 0.00 H new ATOM 454 N LEU A 29 29.595 44.829 34.779 1.00 0.00 N ATOM 455 CA LEU A 29 28.175 44.656 34.487 1.00 0.00 C ATOM 456 C LEU A 29 27.669 45.851 33.666 1.00 0.00 C ATOM 457 O LEU A 29 27.068 45.654 32.610 1.00 0.00 O ATOM 458 CB LEU A 29 27.403 44.488 35.820 1.00 0.00 C ATOM 459 CG LEU A 29 28.013 43.477 36.820 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.266 43.514 38.157 1.00 0.00 C ATOM 461 CD2 LEU A 29 28.000 42.042 36.279 1.00 0.00 C ATOM 0 H LEU A 29 29.766 45.123 35.741 1.00 0.00 H new ATOM 0 HA LEU A 29 28.010 43.760 33.889 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.339 45.461 36.307 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.383 44.177 35.592 1.00 0.00 H new ATOM 0 HG LEU A 29 29.050 43.778 36.967 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.713 42.795 38.843 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.334 44.514 38.584 1.00 0.00 H new ATOM 0 HD13 LEU A 29 26.219 43.259 37.996 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.438 41.371 37.017 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.973 41.738 36.077 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.580 41.995 35.357 1.00 0.00 H new ATOM 473 N ASN A 30 27.983 47.070 34.125 1.00 0.00 N ATOM 474 CA ASN A 30 27.680 48.352 33.475 1.00 0.00 C ATOM 475 C ASN A 30 28.467 49.538 34.103 1.00 0.00 C ATOM 476 O ASN A 30 28.838 49.529 35.279 1.00 0.00 O ATOM 477 CB ASN A 30 26.149 48.574 33.453 1.00 0.00 C ATOM 478 CG ASN A 30 25.696 49.733 32.561 1.00 0.00 C ATOM 479 OD1 ASN A 30 26.408 50.190 31.674 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.482 50.223 32.750 1.00 0.00 N ATOM 0 H ASN A 30 28.481 47.195 35.006 1.00 0.00 H new ATOM 0 HA ASN A 30 28.025 48.311 32.442 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.665 47.658 33.113 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.805 48.758 34.471 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.140 50.980 32.158 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.888 49.844 33.488 1.00 0.00 H new ATOM 487 N SER A 31 28.740 50.573 33.311 1.00 0.00 N ATOM 488 CA SER A 31 29.635 51.714 33.610 1.00 0.00 C ATOM 489 C SER A 31 28.867 52.955 34.113 1.00 0.00 C ATOM 490 O SER A 31 29.011 54.076 33.629 1.00 0.00 O ATOM 491 CB SER A 31 30.440 52.049 32.354 1.00 0.00 C ATOM 492 OG SER A 31 31.141 50.897 31.919 1.00 0.00 O ATOM 0 H SER A 31 28.322 50.652 32.384 1.00 0.00 H new ATOM 0 HA SER A 31 30.303 51.421 34.420 1.00 0.00 H new ATOM 0 HB2 SER A 31 29.774 52.401 31.566 1.00 0.00 H new ATOM 0 HB3 SER A 31 31.141 52.857 32.564 1.00 0.00 H new ATOM 0 HG SER A 31 31.655 51.112 31.113 1.00 0.00 H new ATOM 498 N SER A 32 27.950 52.725 35.037 1.00 0.00 N ATOM 499 CA SER A 32 26.623 53.359 35.031 1.00 0.00 C ATOM 500 C SER A 32 26.549 54.765 35.617 1.00 0.00 C ATOM 501 O SER A 32 25.666 55.544 35.252 1.00 0.00 O ATOM 502 CB SER A 32 25.718 52.432 35.826 1.00 0.00 C ATOM 503 OG SER A 32 25.921 51.156 35.278 1.00 0.00 O ATOM 0 H SER A 32 28.097 52.090 35.822 1.00 0.00 H new ATOM 0 HA SER A 32 26.328 53.495 33.991 1.00 0.00 H new ATOM 0 HB2 SER A 32 25.971 52.449 36.886 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.674 52.734 35.742 1.00 0.00 H new ATOM 0 HG SER A 32 25.398 50.497 35.781 1.00 0.00 H new ATOM 509 N GLU A 33 27.484 55.092 36.506 1.00 0.00 N ATOM 510 CA GLU A 33 27.695 56.427 37.064 1.00 0.00 C ATOM 511 C GLU A 33 28.984 57.068 36.491 1.00 0.00 C ATOM 512 O GLU A 33 29.410 58.131 36.948 1.00 0.00 O ATOM 513 CB GLU A 33 27.708 56.318 38.601 1.00 0.00 C ATOM 514 CG GLU A 33 26.350 55.896 39.192 1.00 0.00 C ATOM 515 CD GLU A 33 25.210 56.894 38.914 1.00 0.00 C ATOM 516 OE1 GLU A 33 25.416 58.123 39.050 1.00 0.00 O ATOM 517 OE2 GLU A 33 24.080 56.446 38.606 1.00 0.00 O ATOM 0 H GLU A 33 28.143 54.406 36.873 1.00 0.00 H new ATOM 0 HA GLU A 33 26.882 57.093 36.776 1.00 0.00 H new ATOM 0 HB2 GLU A 33 28.467 55.596 38.901 1.00 0.00 H new ATOM 0 HB3 GLU A 33 27.998 57.280 39.024 1.00 0.00 H new ATOM 0 HG2 GLU A 33 26.075 54.923 38.785 1.00 0.00 H new ATOM 0 HG3 GLU A 33 26.457 55.773 40.270 1.00 0.00 H new ATOM 524 N GLY A 34 29.604 56.432 35.482 1.00 0.00 N ATOM 525 CA GLY A 34 30.778 56.891 34.731 1.00 0.00 C ATOM 526 C GLY A 34 32.074 56.745 35.522 1.00 0.00 C ATOM 527 O GLY A 34 32.932 55.926 35.198 1.00 0.00 O ATOM 0 H GLY A 34 29.275 55.525 35.150 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.857 56.323 33.804 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.642 57.936 34.454 1.00 0.00 H new ATOM 531 N ASP A 35 32.190 57.560 36.565 1.00 0.00 N ATOM 532 CA ASP A 35 33.282 57.577 37.538 1.00 0.00 C ATOM 533 C ASP A 35 33.235 56.343 38.458 1.00 0.00 C ATOM 534 O ASP A 35 34.282 55.785 38.787 1.00 0.00 O ATOM 535 CB ASP A 35 33.164 58.879 38.345 1.00 0.00 C ATOM 536 CG ASP A 35 34.440 59.214 39.130 1.00 0.00 C ATOM 537 OD1 ASP A 35 35.482 59.476 38.484 1.00 0.00 O ATOM 538 OD2 ASP A 35 34.380 59.268 40.380 1.00 0.00 O ATOM 0 H ASP A 35 31.485 58.268 36.768 1.00 0.00 H new ATOM 0 HA ASP A 35 34.242 57.538 37.024 1.00 0.00 H new ATOM 0 HB2 ASP A 35 32.934 59.701 37.667 1.00 0.00 H new ATOM 0 HB3 ASP A 35 32.328 58.795 39.039 1.00 0.00 H new ATOM 543 N TRP A 36 32.020 55.878 38.781 1.00 0.00 N ATOM 544 CA TRP A 36 31.733 54.616 39.468 1.00 0.00 C ATOM 545 C TRP A 36 30.992 53.633 38.541 1.00 0.00 C ATOM 546 O TRP A 36 30.156 54.023 37.720 1.00 0.00 O ATOM 547 CB TRP A 36 30.911 54.869 40.746 1.00 0.00 C ATOM 548 CG TRP A 36 31.625 55.536 41.884 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.931 56.849 41.950 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.112 54.957 43.137 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.578 57.122 43.136 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.725 55.991 43.906 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.101 53.664 43.705 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.316 55.756 45.156 1.00 0.00 C ATOM 555 CZ3 TRP A 36 32.702 53.413 44.954 1.00 0.00 C ATOM 556 CH2 TRP A 36 33.311 54.453 45.678 1.00 0.00 C ATOM 0 H TRP A 36 31.172 56.399 38.559 1.00 0.00 H new ATOM 0 HA TRP A 36 32.685 54.165 39.748 1.00 0.00 H new ATOM 0 HB2 TRP A 36 30.048 55.480 40.480 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.527 53.912 41.099 1.00 0.00 H new ATOM 0 HD1 TRP A 36 31.703 57.578 41.186 1.00 0.00 H new ATOM 0 HE1 TRP A 36 32.907 58.048 43.409 1.00 0.00 H new ATOM 0 HE3 TRP A 36 31.624 52.854 43.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 33.768 56.566 45.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 32.695 52.412 45.359 1.00 0.00 H new ATOM 0 HH2 TRP A 36 33.773 54.250 46.633 1.00 0.00 H new ATOM 567 N TRP A 37 31.286 52.342 38.701 1.00 0.00 N ATOM 568 CA TRP A 37 30.746 51.227 37.919 1.00 0.00 C ATOM 569 C TRP A 37 29.972 50.225 38.793 1.00 0.00 C ATOM 570 O TRP A 37 30.156 50.175 40.007 1.00 0.00 O ATOM 571 CB TRP A 37 31.908 50.500 37.223 1.00 0.00 C ATOM 572 CG TRP A 37 32.710 51.245 36.199 1.00 0.00 C ATOM 573 CD1 TRP A 37 32.404 52.431 35.624 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.965 50.827 35.578 1.00 0.00 C ATOM 575 NE1 TRP A 37 33.350 52.749 34.676 1.00 0.00 N ATOM 576 CE2 TRP A 37 34.319 51.776 34.575 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.839 49.736 35.763 1.00 0.00 C ATOM 578 CZ2 TRP A 37 35.458 51.630 33.769 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.984 49.577 34.959 1.00 0.00 C ATOM 580 CH2 TRP A 37 36.290 50.516 33.960 1.00 0.00 C ATOM 0 H TRP A 37 31.942 52.029 39.417 1.00 0.00 H new ATOM 0 HA TRP A 37 30.047 51.635 37.189 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.595 50.158 37.997 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.501 49.611 36.742 1.00 0.00 H new ATOM 0 HD1 TRP A 37 31.546 53.038 35.872 1.00 0.00 H new ATOM 0 HE1 TRP A 37 33.335 53.602 34.116 1.00 0.00 H new ATOM 0 HE3 TRP A 37 34.627 49.010 36.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 35.691 52.364 33.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 36.632 48.727 35.112 1.00 0.00 H new ATOM 0 HH2 TRP A 37 37.164 50.381 33.340 1.00 0.00 H new ATOM 591 N GLU A 38 29.180 49.375 38.136 1.00 0.00 N ATOM 592 CA GLU A 38 28.578 48.158 38.681 1.00 0.00 C ATOM 593 C GLU A 38 29.383 46.954 38.179 1.00 0.00 C ATOM 594 O GLU A 38 29.512 46.744 36.971 1.00 0.00 O ATOM 595 CB GLU A 38 27.131 48.011 38.196 1.00 0.00 C ATOM 596 CG GLU A 38 26.171 49.007 38.845 1.00 0.00 C ATOM 597 CD GLU A 38 24.809 48.941 38.147 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.650 49.622 37.105 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.919 48.198 38.623 1.00 0.00 O ATOM 0 H GLU A 38 28.929 49.526 37.159 1.00 0.00 H new ATOM 0 HA GLU A 38 28.586 48.211 39.770 1.00 0.00 H new ATOM 0 HB2 GLU A 38 27.103 48.142 37.114 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.787 46.998 38.403 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.058 48.780 39.905 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.577 50.016 38.776 1.00 0.00 H new ATOM 606 N VAL A 39 29.944 46.177 39.103 1.00 0.00 N ATOM 607 CA VAL A 39 30.911 45.112 38.824 1.00 0.00 C ATOM 608 C VAL A 39 30.663 43.868 39.688 1.00 0.00 C ATOM 609 O VAL A 39 29.855 43.868 40.618 1.00 0.00 O ATOM 610 CB VAL A 39 32.373 45.600 39.014 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.681 46.845 38.167 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.730 45.887 40.484 1.00 0.00 C ATOM 0 H VAL A 39 29.734 46.272 40.097 1.00 0.00 H new ATOM 0 HA VAL A 39 30.768 44.837 37.779 1.00 0.00 H new ATOM 0 HB VAL A 39 32.992 44.771 38.672 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.714 47.151 38.332 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.535 46.613 37.112 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.012 47.656 38.456 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.765 46.224 40.548 1.00 0.00 H new ATOM 0 HG22 VAL A 39 32.071 46.663 40.874 1.00 0.00 H new ATOM 0 HG23 VAL A 39 32.608 44.978 41.072 1.00 0.00 H new ATOM 622 N ARG A 40 31.429 42.824 39.383 1.00 0.00 N ATOM 623 CA ARG A 40 31.500 41.550 40.080 1.00 0.00 C ATOM 624 C ARG A 40 32.943 41.040 40.081 1.00 0.00 C ATOM 625 O ARG A 40 33.616 41.040 39.051 1.00 0.00 O ATOM 626 CB ARG A 40 30.531 40.578 39.392 1.00 0.00 C ATOM 627 CG ARG A 40 30.750 39.100 39.751 1.00 0.00 C ATOM 628 CD ARG A 40 29.666 38.211 39.130 1.00 0.00 C ATOM 629 NE ARG A 40 28.342 38.510 39.701 1.00 0.00 N ATOM 630 CZ ARG A 40 27.185 38.668 39.066 1.00 0.00 C ATOM 631 NH1 ARG A 40 27.053 38.508 37.765 1.00 0.00 N ATOM 632 NH2 ARG A 40 26.122 39.009 39.761 1.00 0.00 N ATOM 0 H ARG A 40 32.061 42.852 38.583 1.00 0.00 H new ATOM 0 HA ARG A 40 31.204 41.651 41.124 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.510 40.855 39.655 1.00 0.00 H new ATOM 0 HB3 ARG A 40 30.625 40.694 38.312 1.00 0.00 H new ATOM 0 HG2 ARG A 40 31.731 38.780 39.401 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.744 38.982 40.835 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.642 38.362 38.051 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.910 37.162 39.300 1.00 0.00 H new ATOM 0 HE ARG A 40 28.308 38.609 40.716 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.861 38.251 37.198 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.143 38.641 37.325 1.00 0.00 H new ATOM 0 HH21 ARG A 40 26.195 39.147 40.769 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.225 39.135 39.292 1.00 0.00 H new ATOM 646 N SER A 41 33.417 40.576 41.227 1.00 0.00 N ATOM 647 CA SER A 41 34.702 39.888 41.340 1.00 0.00 C ATOM 648 C SER A 41 34.614 38.417 40.899 1.00 0.00 C ATOM 649 O SER A 41 33.666 37.695 41.211 1.00 0.00 O ATOM 650 CB SER A 41 35.250 39.979 42.763 1.00 0.00 C ATOM 651 OG SER A 41 36.312 39.060 42.903 1.00 0.00 O ATOM 0 H SER A 41 32.920 40.665 42.113 1.00 0.00 H new ATOM 0 HA SER A 41 35.390 40.396 40.664 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.598 40.991 42.969 1.00 0.00 H new ATOM 0 HB3 SER A 41 34.463 39.759 43.485 1.00 0.00 H new ATOM 0 HG SER A 41 37.087 39.513 43.296 1.00 0.00 H new ATOM 657 N LEU A 42 35.672 37.967 40.220 1.00 0.00 N ATOM 658 CA LEU A 42 35.872 36.609 39.722 1.00 0.00 C ATOM 659 C LEU A 42 36.534 35.660 40.750 1.00 0.00 C ATOM 660 O LEU A 42 36.791 34.500 40.418 1.00 0.00 O ATOM 661 CB LEU A 42 36.636 36.697 38.387 1.00 0.00 C ATOM 662 CG LEU A 42 35.951 37.566 37.302 1.00 0.00 C ATOM 663 CD1 LEU A 42 36.770 37.525 36.006 1.00 0.00 C ATOM 664 CD2 LEU A 42 34.510 37.122 37.011 1.00 0.00 C ATOM 0 H LEU A 42 36.456 38.578 39.991 1.00 0.00 H new ATOM 0 HA LEU A 42 34.900 36.147 39.551 1.00 0.00 H new ATOM 0 HB2 LEU A 42 37.631 37.099 38.580 1.00 0.00 H new ATOM 0 HB3 LEU A 42 36.770 35.689 37.994 1.00 0.00 H new ATOM 0 HG LEU A 42 35.907 38.584 37.690 1.00 0.00 H new ATOM 0 HD11 LEU A 42 36.282 38.138 35.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 37.771 37.911 36.196 1.00 0.00 H new ATOM 0 HD13 LEU A 42 36.839 36.497 35.652 1.00 0.00 H new ATOM 0 HD21 LEU A 42 34.079 37.765 36.244 1.00 0.00 H new ATOM 0 HD22 LEU A 42 34.511 36.090 36.661 1.00 0.00 H new ATOM 0 HD23 LEU A 42 33.916 37.195 37.922 1.00 0.00 H new ATOM 676 N THR A 43 36.695 36.087 42.014 1.00 0.00 N ATOM 677 CA THR A 43 37.112 35.239 43.151 1.00 0.00 C ATOM 678 C THR A 43 35.933 34.406 43.652 1.00 0.00 C ATOM 679 O THR A 43 36.058 33.190 43.805 1.00 0.00 O ATOM 680 CB THR A 43 37.718 36.047 44.308 1.00 0.00 C ATOM 681 OG1 THR A 43 36.761 36.934 44.834 1.00 0.00 O ATOM 682 CG2 THR A 43 38.972 36.827 43.907 1.00 0.00 C ATOM 0 H THR A 43 36.535 37.058 42.284 1.00 0.00 H new ATOM 0 HA THR A 43 37.896 34.579 42.780 1.00 0.00 H new ATOM 0 HB THR A 43 38.019 35.323 45.065 1.00 0.00 H new ATOM 0 HG1 THR A 43 36.600 37.658 44.194 1.00 0.00 H new ATOM 0 HG21 THR A 43 39.350 37.376 44.769 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.735 36.133 43.555 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.725 37.528 43.110 1.00 0.00 H new ATOM 690 N THR A 44 34.804 35.075 43.921 1.00 0.00 N ATOM 691 CA THR A 44 33.603 34.552 44.595 1.00 0.00 C ATOM 692 C THR A 44 32.331 34.646 43.751 1.00 0.00 C ATOM 693 O THR A 44 31.436 33.819 43.916 1.00 0.00 O ATOM 694 CB THR A 44 33.351 35.384 45.861 1.00 0.00 C ATOM 695 OG1 THR A 44 33.323 36.744 45.494 1.00 0.00 O ATOM 696 CG2 THR A 44 34.406 35.198 46.951 1.00 0.00 C ATOM 0 H THR A 44 34.696 36.055 43.659 1.00 0.00 H new ATOM 0 HA THR A 44 33.801 33.500 44.798 1.00 0.00 H new ATOM 0 HB THR A 44 32.406 35.042 46.282 1.00 0.00 H new ATOM 0 HG1 THR A 44 33.482 37.300 46.285 1.00 0.00 H new ATOM 0 HG21 THR A 44 34.155 35.820 47.810 1.00 0.00 H new ATOM 0 HG22 THR A 44 34.434 34.152 47.256 1.00 0.00 H new ATOM 0 HG23 THR A 44 35.383 35.490 46.565 1.00 0.00 H new ATOM 704 N GLY A 45 32.243 35.641 42.860 1.00 0.00 N ATOM 705 CA GLY A 45 31.001 36.129 42.242 1.00 0.00 C ATOM 706 C GLY A 45 30.338 37.290 43.005 1.00 0.00 C ATOM 707 O GLY A 45 29.256 37.733 42.612 1.00 0.00 O ATOM 0 H GLY A 45 33.066 36.149 42.536 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.216 36.453 41.224 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.293 35.303 42.171 1.00 0.00 H new ATOM 711 N GLU A 46 30.963 37.795 44.076 1.00 0.00 N ATOM 712 CA GLU A 46 30.483 38.932 44.869 1.00 0.00 C ATOM 713 C GLU A 46 30.374 40.198 44.007 1.00 0.00 C ATOM 714 O GLU A 46 31.245 40.485 43.180 1.00 0.00 O ATOM 715 CB GLU A 46 31.392 39.159 46.093 1.00 0.00 C ATOM 716 CG GLU A 46 30.942 40.268 47.056 1.00 0.00 C ATOM 717 CD GLU A 46 29.690 39.885 47.862 1.00 0.00 C ATOM 718 OE1 GLU A 46 28.596 39.777 47.262 1.00 0.00 O ATOM 719 OE2 GLU A 46 29.799 39.707 49.097 1.00 0.00 O ATOM 0 H GLU A 46 31.842 37.412 44.424 1.00 0.00 H new ATOM 0 HA GLU A 46 29.482 38.699 45.233 1.00 0.00 H new ATOM 0 HB2 GLU A 46 31.461 38.225 46.650 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.396 39.395 45.739 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.755 40.497 47.744 1.00 0.00 H new ATOM 0 HG3 GLU A 46 30.739 41.176 46.488 1.00 0.00 H new ATOM 726 N THR A 47 29.270 40.929 44.204 1.00 0.00 N ATOM 727 CA THR A 47 28.747 41.985 43.326 1.00 0.00 C ATOM 728 C THR A 47 28.575 43.290 44.101 1.00 0.00 C ATOM 729 O THR A 47 28.225 43.282 45.282 1.00 0.00 O ATOM 730 CB THR A 47 27.394 41.539 42.751 1.00 0.00 C ATOM 731 OG1 THR A 47 27.563 40.332 42.047 1.00 0.00 O ATOM 732 CG2 THR A 47 26.782 42.529 41.766 1.00 0.00 C ATOM 0 H THR A 47 28.684 40.792 45.027 1.00 0.00 H new ATOM 0 HA THR A 47 29.455 42.157 42.515 1.00 0.00 H new ATOM 0 HB THR A 47 26.728 41.448 43.609 1.00 0.00 H new ATOM 0 HG1 THR A 47 27.134 39.602 42.541 1.00 0.00 H new ATOM 0 HG21 THR A 47 25.829 42.142 41.406 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.620 43.485 42.264 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.459 42.669 40.923 1.00 0.00 H new ATOM 740 N GLY A 48 28.770 44.412 43.407 1.00 0.00 N ATOM 741 CA GLY A 48 28.541 45.769 43.904 1.00 0.00 C ATOM 742 C GLY A 48 29.250 46.842 43.083 1.00 0.00 C ATOM 743 O GLY A 48 29.539 46.661 41.896 1.00 0.00 O ATOM 0 H GLY A 48 29.106 44.399 42.444 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.470 45.972 43.906 1.00 0.00 H new ATOM 0 HA3 GLY A 48 28.879 45.831 44.939 1.00 0.00 H new ATOM 747 N TYR A 49 29.493 47.986 43.715 1.00 0.00 N ATOM 748 CA TYR A 49 30.080 49.165 43.074 1.00 0.00 C ATOM 749 C TYR A 49 31.583 49.328 43.367 1.00 0.00 C ATOM 750 O TYR A 49 32.078 48.958 44.432 1.00 0.00 O ATOM 751 CB TYR A 49 29.313 50.423 43.510 1.00 0.00 C ATOM 752 CG TYR A 49 27.929 50.575 42.903 1.00 0.00 C ATOM 753 CD1 TYR A 49 26.829 49.887 43.450 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.734 51.436 41.804 1.00 0.00 C ATOM 755 CE1 TYR A 49 25.542 50.058 42.907 1.00 0.00 C ATOM 756 CE2 TYR A 49 26.449 51.619 41.260 1.00 0.00 C ATOM 757 CZ TYR A 49 25.346 50.930 41.814 1.00 0.00 C ATOM 758 OH TYR A 49 24.096 51.103 41.308 1.00 0.00 O ATOM 0 H TYR A 49 29.285 48.125 44.704 1.00 0.00 H new ATOM 0 HA TYR A 49 29.990 49.024 41.997 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.218 50.414 44.596 1.00 0.00 H new ATOM 0 HB3 TYR A 49 29.906 51.300 43.249 1.00 0.00 H new ATOM 0 HD1 TYR A 49 26.974 49.225 44.291 1.00 0.00 H new ATOM 0 HD2 TYR A 49 28.577 51.959 41.376 1.00 0.00 H new ATOM 0 HE1 TYR A 49 24.704 49.522 43.327 1.00 0.00 H new ATOM 0 HE2 TYR A 49 26.306 52.284 40.421 1.00 0.00 H new ATOM 0 HH TYR A 49 24.131 51.735 40.560 1.00 0.00 H new ATOM 768 N ILE A 50 32.308 49.937 42.426 1.00 0.00 N ATOM 769 CA ILE A 50 33.714 50.361 42.563 1.00 0.00 C ATOM 770 C ILE A 50 33.930 51.731 41.896 1.00 0.00 C ATOM 771 O ILE A 50 33.177 52.056 40.969 1.00 0.00 O ATOM 772 CB ILE A 50 34.696 49.294 42.006 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.559 48.967 40.498 1.00 0.00 C ATOM 774 CG2 ILE A 50 34.582 47.990 42.818 1.00 0.00 C ATOM 775 CD1 ILE A 50 35.198 49.981 39.539 1.00 0.00 C ATOM 0 H ILE A 50 31.921 50.160 41.509 1.00 0.00 H new ATOM 0 HA ILE A 50 33.931 50.462 43.626 1.00 0.00 H new ATOM 0 HB ILE A 50 35.679 49.753 42.115 1.00 0.00 H new ATOM 0 HG12 ILE A 50 35.005 47.989 40.315 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.499 48.884 40.257 1.00 0.00 H new ATOM 0 HG21 ILE A 50 35.275 47.250 42.418 1.00 0.00 H new ATOM 0 HG22 ILE A 50 34.826 48.189 43.862 1.00 0.00 H new ATOM 0 HG23 ILE A 50 33.564 47.607 42.750 1.00 0.00 H new ATOM 0 HD11 ILE A 50 35.044 49.656 38.510 1.00 0.00 H new ATOM 0 HD12 ILE A 50 34.738 50.958 39.683 1.00 0.00 H new ATOM 0 HD13 ILE A 50 36.267 50.050 39.742 1.00 0.00 H new ATOM 787 N PRO A 51 34.930 52.527 42.327 1.00 0.00 N ATOM 788 CA PRO A 51 35.368 53.703 41.594 1.00 0.00 C ATOM 789 C PRO A 51 36.315 53.245 40.479 1.00 0.00 C ATOM 790 O PRO A 51 37.330 52.594 40.723 1.00 0.00 O ATOM 791 CB PRO A 51 36.045 54.595 42.635 1.00 0.00 C ATOM 792 CG PRO A 51 36.625 53.602 43.642 1.00 0.00 C ATOM 793 CD PRO A 51 35.729 52.364 43.538 1.00 0.00 C ATOM 0 HA PRO A 51 34.565 54.258 41.110 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.824 55.212 42.187 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.333 55.272 43.106 1.00 0.00 H new ATOM 0 HG2 PRO A 51 37.661 53.360 43.406 1.00 0.00 H new ATOM 0 HG3 PRO A 51 36.615 54.013 44.652 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.329 51.455 43.487 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.089 52.275 44.415 1.00 0.00 H new ATOM 801 N SER A 52 35.963 53.557 39.231 1.00 0.00 N ATOM 802 CA SER A 52 36.730 53.170 38.047 1.00 0.00 C ATOM 803 C SER A 52 38.213 53.583 38.059 1.00 0.00 C ATOM 804 O SER A 52 39.012 52.731 37.660 1.00 0.00 O ATOM 805 CB SER A 52 36.055 53.637 36.747 1.00 0.00 C ATOM 806 OG SER A 52 36.303 54.991 36.430 1.00 0.00 O ATOM 0 H SER A 52 35.124 54.094 39.011 1.00 0.00 H new ATOM 0 HA SER A 52 36.730 52.081 38.084 1.00 0.00 H new ATOM 0 HB2 SER A 52 36.401 53.012 35.924 1.00 0.00 H new ATOM 0 HB3 SER A 52 34.979 53.485 36.832 1.00 0.00 H new ATOM 0 HG SER A 52 35.770 55.567 37.017 1.00 0.00 H new ATOM 812 N PRO A 53 38.647 54.783 38.526 1.00 0.00 N ATOM 813 CA PRO A 53 40.044 55.199 38.371 1.00 0.00 C ATOM 814 C PRO A 53 41.021 54.404 39.254 1.00 0.00 C ATOM 815 O PRO A 53 42.232 54.524 39.078 1.00 0.00 O ATOM 816 CB PRO A 53 40.068 56.694 38.701 1.00 0.00 C ATOM 817 CG PRO A 53 38.931 56.845 39.703 1.00 0.00 C ATOM 818 CD PRO A 53 37.892 55.861 39.174 1.00 0.00 C ATOM 0 HA PRO A 53 40.387 55.000 37.356 1.00 0.00 H new ATOM 0 HB2 PRO A 53 41.024 56.997 39.128 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.907 57.305 37.813 1.00 0.00 H new ATOM 0 HG2 PRO A 53 39.247 56.596 40.716 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.547 57.865 39.731 1.00 0.00 H new ATOM 0 HD2 PRO A 53 37.275 55.472 39.984 1.00 0.00 H new ATOM 0 HD3 PRO A 53 37.220 56.346 38.466 1.00 0.00 H new ATOM 826 N TYR A 54 40.514 53.571 40.169 1.00 0.00 N ATOM 827 CA TYR A 54 41.294 52.720 41.075 1.00 0.00 C ATOM 828 C TYR A 54 41.008 51.215 40.872 1.00 0.00 C ATOM 829 O TYR A 54 41.436 50.394 41.680 1.00 0.00 O ATOM 830 CB TYR A 54 40.995 53.179 42.513 1.00 0.00 C ATOM 831 CG TYR A 54 41.270 54.656 42.749 1.00 0.00 C ATOM 832 CD1 TYR A 54 42.539 55.189 42.447 1.00 0.00 C ATOM 833 CD2 TYR A 54 40.250 55.511 43.218 1.00 0.00 C ATOM 834 CE1 TYR A 54 42.790 56.564 42.596 1.00 0.00 C ATOM 835 CE2 TYR A 54 40.495 56.890 43.371 1.00 0.00 C ATOM 836 CZ TYR A 54 41.767 57.420 43.054 1.00 0.00 C ATOM 837 OH TYR A 54 42.018 58.752 43.182 1.00 0.00 O ATOM 0 H TYR A 54 39.508 53.467 40.304 1.00 0.00 H new ATOM 0 HA TYR A 54 42.356 52.832 40.858 1.00 0.00 H new ATOM 0 HB2 TYR A 54 39.950 52.971 42.742 1.00 0.00 H new ATOM 0 HB3 TYR A 54 41.596 52.591 43.206 1.00 0.00 H new ATOM 0 HD1 TYR A 54 43.325 54.536 42.098 1.00 0.00 H new ATOM 0 HD2 TYR A 54 39.278 55.107 43.460 1.00 0.00 H new ATOM 0 HE1 TYR A 54 43.765 56.964 42.360 1.00 0.00 H new ATOM 0 HE2 TYR A 54 39.712 57.542 43.730 1.00 0.00 H new ATOM 0 HH TYR A 54 41.213 59.207 43.507 1.00 0.00 H new ATOM 847 N LEU A 55 40.177 50.873 39.875 1.00 0.00 N ATOM 848 CA LEU A 55 40.217 49.558 39.217 1.00 0.00 C ATOM 849 C LEU A 55 41.025 49.625 37.906 1.00 0.00 C ATOM 850 O LEU A 55 41.856 48.757 37.652 1.00 0.00 O ATOM 851 CB LEU A 55 38.777 49.053 38.982 1.00 0.00 C ATOM 852 CG LEU A 55 38.709 47.605 38.446 1.00 0.00 C ATOM 853 CD1 LEU A 55 39.151 46.578 39.500 1.00 0.00 C ATOM 854 CD2 LEU A 55 37.285 47.257 37.991 1.00 0.00 C ATOM 0 H LEU A 55 39.461 51.498 39.504 1.00 0.00 H new ATOM 0 HA LEU A 55 40.726 48.845 39.866 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.223 49.111 39.919 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.279 49.717 38.275 1.00 0.00 H new ATOM 0 HG LEU A 55 39.394 47.557 37.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.087 45.574 39.079 1.00 0.00 H new ATOM 0 HD12 LEU A 55 40.180 46.782 39.798 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.500 46.648 40.372 1.00 0.00 H new ATOM 0 HD21 LEU A 55 37.262 46.233 37.618 1.00 0.00 H new ATOM 0 HD22 LEU A 55 36.600 47.351 38.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 36.980 47.939 37.198 1.00 0.00 H new ATOM 866 N ALA A 56 40.801 50.655 37.084 1.00 0.00 N ATOM 867 CA ALA A 56 41.458 50.927 35.802 1.00 0.00 C ATOM 868 C ALA A 56 42.840 51.607 35.926 1.00 0.00 C ATOM 869 O ALA A 56 43.081 52.240 36.943 1.00 0.00 O ATOM 870 CB ALA A 56 40.493 51.791 34.972 1.00 0.00 C ATOM 0 H ALA A 56 40.109 51.369 37.312 1.00 0.00 H new ATOM 0 HA ALA A 56 41.669 49.974 35.317 1.00 0.00 H new ATOM 0 HB1 ALA A 56 40.946 52.017 34.006 1.00 0.00 H new ATOM 0 HB2 ALA A 56 39.560 51.249 34.818 1.00 0.00 H new ATOM 0 HB3 ALA A 56 40.289 52.721 35.503 1.00 0.00 H new TER 876 ALA A 56