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 91:sc= 1.57 USER MOD Set 1.2: A 44 THR OG1 : rot -52:sc= 0.584 USER MOD Set 2.1: A 30 ASN : amide:sc= 0.641 K(o=2.5,f=1.4) USER MOD Set 2.2: A 32 SER OG : rot 170:sc= 1.86 USER MOD Single : A 1 SER N :NH3+ -155:sc= 0.769 (180deg=0.358) USER MOD Single : A 1 SER OG : rot -63:sc= 0.109 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -158:sc= 0.412 USER MOD Single : A 14 THR OG1 : rot -51:sc= 0.971 USER MOD Single : A 19 SER OG : rot -150:sc= 1.44 USER MOD Single : A 21 HIS : no HE2:sc= 0.534 K(o=0.53,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= 1.04 (180deg=0.291) USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= 1.89 (180deg=1.6) USER MOD Single : A 27 GLN : amide:sc= 0.304 K(o=0.3,f=-2.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 145:sc= 0.923 USER MOD Single : A 47 THR OG1 : rot 150:sc= 0.277 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 130:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 29.093 42.503 30.489 1.00 0.00 N ATOM 2 CA SER A 1 29.465 43.115 29.201 1.00 0.00 C ATOM 3 C SER A 1 30.907 42.771 28.785 1.00 0.00 C ATOM 4 O SER A 1 31.164 42.525 27.602 1.00 0.00 O ATOM 5 CB SER A 1 29.247 44.640 29.233 1.00 0.00 C ATOM 6 OG SER A 1 30.281 45.352 29.888 1.00 0.00 O ATOM 0 H1 SER A 1 28.060 42.389 30.534 1.00 0.00 H new ATOM 0 H2 SER A 1 29.548 41.572 30.575 1.00 0.00 H new ATOM 0 H3 SER A 1 29.407 43.116 31.268 1.00 0.00 H new ATOM 0 HA SER A 1 28.807 42.689 28.444 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.158 45.006 28.210 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.301 44.852 29.731 1.00 0.00 H new ATOM 0 HG SER A 1 30.319 45.082 30.829 1.00 0.00 H new ATOM 12 N THR A 2 31.822 42.708 29.768 1.00 0.00 N ATOM 13 CA THR A 2 33.252 42.388 29.650 1.00 0.00 C ATOM 14 C THR A 2 33.903 42.299 31.032 1.00 0.00 C ATOM 15 O THR A 2 33.275 42.606 32.047 1.00 0.00 O ATOM 16 CB THR A 2 33.977 43.374 28.719 1.00 0.00 C ATOM 17 OG1 THR A 2 35.214 42.793 28.385 1.00 0.00 O ATOM 18 CG2 THR A 2 34.201 44.762 29.328 1.00 0.00 C ATOM 0 H THR A 2 31.560 42.893 30.736 1.00 0.00 H new ATOM 0 HA THR A 2 33.345 41.406 29.186 1.00 0.00 H new ATOM 0 HB THR A 2 33.346 43.543 27.847 1.00 0.00 H new ATOM 0 HG1 THR A 2 35.707 43.394 27.788 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.718 45.396 28.608 1.00 0.00 H new ATOM 0 HG22 THR A 2 33.239 45.208 29.580 1.00 0.00 H new ATOM 0 HG23 THR A 2 34.806 44.670 30.230 1.00 0.00 H new ATOM 26 N LEU A 3 35.157 41.853 31.070 1.00 0.00 N ATOM 27 CA LEU A 3 35.972 41.642 32.264 1.00 0.00 C ATOM 28 C LEU A 3 37.087 42.705 32.406 1.00 0.00 C ATOM 29 O LEU A 3 37.343 43.495 31.496 1.00 0.00 O ATOM 30 CB LEU A 3 36.556 40.212 32.190 1.00 0.00 C ATOM 31 CG LEU A 3 35.529 39.070 32.006 1.00 0.00 C ATOM 32 CD1 LEU A 3 36.268 37.730 31.888 1.00 0.00 C ATOM 33 CD2 LEU A 3 34.501 39.026 33.143 1.00 0.00 C ATOM 0 H LEU A 3 35.661 41.615 30.216 1.00 0.00 H new ATOM 0 HA LEU A 3 35.351 41.749 33.153 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.265 40.173 31.363 1.00 0.00 H new ATOM 0 HB3 LEU A 3 37.120 40.023 33.103 1.00 0.00 H new ATOM 0 HG LEU A 3 34.973 39.261 31.088 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.544 36.925 31.758 1.00 0.00 H new ATOM 0 HD12 LEU A 3 36.937 37.758 31.028 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.848 37.554 32.794 1.00 0.00 H new ATOM 0 HD21 LEU A 3 33.801 38.208 32.970 1.00 0.00 H new ATOM 0 HD22 LEU A 3 35.014 38.869 34.092 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.955 39.969 33.177 1.00 0.00 H new ATOM 45 N PHE A 4 37.799 42.666 33.537 1.00 0.00 N ATOM 46 CA PHE A 4 38.873 43.588 33.923 1.00 0.00 C ATOM 47 C PHE A 4 39.806 42.964 34.977 1.00 0.00 C ATOM 48 O PHE A 4 39.412 42.033 35.681 1.00 0.00 O ATOM 49 CB PHE A 4 38.259 44.912 34.422 1.00 0.00 C ATOM 50 CG PHE A 4 39.137 46.119 34.164 1.00 0.00 C ATOM 51 CD1 PHE A 4 39.072 46.766 32.916 1.00 0.00 C ATOM 52 CD2 PHE A 4 40.036 46.582 35.143 1.00 0.00 C ATOM 53 CE1 PHE A 4 39.909 47.861 32.643 1.00 0.00 C ATOM 54 CE2 PHE A 4 40.879 47.671 34.865 1.00 0.00 C ATOM 55 CZ PHE A 4 40.818 48.310 33.615 1.00 0.00 C ATOM 0 H PHE A 4 37.633 41.952 34.246 1.00 0.00 H new ATOM 0 HA PHE A 4 39.489 43.794 33.048 1.00 0.00 H new ATOM 0 HB2 PHE A 4 37.295 45.063 33.936 1.00 0.00 H new ATOM 0 HB3 PHE A 4 38.067 44.834 35.492 1.00 0.00 H new ATOM 0 HD1 PHE A 4 38.377 46.420 32.166 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.078 46.100 36.108 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.853 48.358 31.686 1.00 0.00 H new ATOM 0 HE2 PHE A 4 41.576 48.018 35.614 1.00 0.00 H new ATOM 0 HZ PHE A 4 41.469 49.145 33.402 1.00 0.00 H new ATOM 65 N GLU A 5 41.039 43.462 35.095 1.00 0.00 N ATOM 66 CA GLU A 5 41.982 43.091 36.158 1.00 0.00 C ATOM 67 C GLU A 5 42.479 44.353 36.884 1.00 0.00 C ATOM 68 O GLU A 5 42.806 45.356 36.249 1.00 0.00 O ATOM 69 CB GLU A 5 43.136 42.272 35.563 1.00 0.00 C ATOM 70 CG GLU A 5 43.991 41.600 36.642 1.00 0.00 C ATOM 71 CD GLU A 5 44.915 40.535 36.037 1.00 0.00 C ATOM 72 OE1 GLU A 5 46.003 40.893 35.530 1.00 0.00 O ATOM 73 OE2 GLU A 5 44.556 39.333 36.077 1.00 0.00 O ATOM 0 H GLU A 5 41.419 44.148 34.443 1.00 0.00 H new ATOM 0 HA GLU A 5 41.481 42.467 36.898 1.00 0.00 H new ATOM 0 HB2 GLU A 5 42.732 41.510 34.897 1.00 0.00 H new ATOM 0 HB3 GLU A 5 43.766 42.923 34.957 1.00 0.00 H new ATOM 0 HG2 GLU A 5 44.588 42.353 37.157 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.343 41.141 37.389 1.00 0.00 H new ATOM 80 N ALA A 6 42.428 44.346 38.217 1.00 0.00 N ATOM 81 CA ALA A 6 42.837 45.428 39.100 1.00 0.00 C ATOM 82 C ALA A 6 44.341 45.711 38.979 1.00 0.00 C ATOM 83 O ALA A 6 45.178 44.836 39.221 1.00 0.00 O ATOM 84 CB ALA A 6 42.452 45.040 40.534 1.00 0.00 C ATOM 0 H ALA A 6 42.080 43.538 38.733 1.00 0.00 H new ATOM 0 HA ALA A 6 42.329 46.350 38.818 1.00 0.00 H new ATOM 0 HB1 ALA A 6 42.748 45.835 41.218 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.374 44.892 40.594 1.00 0.00 H new ATOM 0 HB3 ALA A 6 42.961 44.116 40.810 1.00 0.00 H new ATOM 90 N LEU A 7 44.670 46.954 38.634 1.00 0.00 N ATOM 91 CA LEU A 7 46.031 47.454 38.429 1.00 0.00 C ATOM 92 C LEU A 7 46.614 48.114 39.695 1.00 0.00 C ATOM 93 O LEU A 7 47.701 48.691 39.648 1.00 0.00 O ATOM 94 CB LEU A 7 46.009 48.421 37.222 1.00 0.00 C ATOM 95 CG LEU A 7 45.405 47.846 35.919 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.499 48.888 34.794 1.00 0.00 C ATOM 97 CD2 LEU A 7 46.099 46.551 35.469 1.00 0.00 C ATOM 0 H LEU A 7 43.964 47.674 38.482 1.00 0.00 H new ATOM 0 HA LEU A 7 46.696 46.617 38.217 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.445 49.311 37.502 1.00 0.00 H new ATOM 0 HB3 LEU A 7 47.030 48.742 37.018 1.00 0.00 H new ATOM 0 HG LEU A 7 44.363 47.607 36.130 1.00 0.00 H new ATOM 0 HD11 LEU A 7 45.072 48.476 33.880 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.948 49.784 35.081 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.544 49.145 34.622 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.636 46.190 34.550 1.00 0.00 H new ATOM 0 HD22 LEU A 7 47.156 46.748 35.290 1.00 0.00 H new ATOM 0 HD23 LEU A 7 45.998 45.795 36.247 1.00 0.00 H new ATOM 109 N TYR A 8 45.898 48.045 40.824 1.00 0.00 N ATOM 110 CA TYR A 8 46.178 48.774 42.069 1.00 0.00 C ATOM 111 C TYR A 8 45.459 48.122 43.274 1.00 0.00 C ATOM 112 O TYR A 8 44.581 47.280 43.085 1.00 0.00 O ATOM 113 CB TYR A 8 45.740 50.239 41.879 1.00 0.00 C ATOM 114 CG TYR A 8 46.603 51.266 42.581 1.00 0.00 C ATOM 115 CD1 TYR A 8 47.795 51.707 41.975 1.00 0.00 C ATOM 116 CD2 TYR A 8 46.202 51.814 43.814 1.00 0.00 C ATOM 117 CE1 TYR A 8 48.583 52.695 42.593 1.00 0.00 C ATOM 118 CE2 TYR A 8 46.995 52.787 44.449 1.00 0.00 C ATOM 119 CZ TYR A 8 48.185 53.240 43.833 1.00 0.00 C ATOM 120 OH TYR A 8 48.947 54.203 44.418 1.00 0.00 O ATOM 0 H TYR A 8 45.071 47.453 40.899 1.00 0.00 H new ATOM 0 HA TYR A 8 47.245 48.736 42.287 1.00 0.00 H new ATOM 0 HB2 TYR A 8 45.731 50.463 40.812 1.00 0.00 H new ATOM 0 HB3 TYR A 8 44.715 50.344 42.235 1.00 0.00 H new ATOM 0 HD1 TYR A 8 48.106 51.285 41.031 1.00 0.00 H new ATOM 0 HD2 TYR A 8 45.282 51.486 44.274 1.00 0.00 H new ATOM 0 HE1 TYR A 8 49.492 53.036 42.119 1.00 0.00 H new ATOM 0 HE2 TYR A 8 46.695 53.188 45.406 1.00 0.00 H new ATOM 0 HH TYR A 8 48.537 54.475 45.266 1.00 0.00 H new ATOM 130 N ASP A 9 45.819 48.490 44.507 1.00 0.00 N ATOM 131 CA ASP A 9 45.168 48.036 45.751 1.00 0.00 C ATOM 132 C ASP A 9 44.106 49.035 46.271 1.00 0.00 C ATOM 133 O ASP A 9 44.258 50.244 46.118 1.00 0.00 O ATOM 134 CB ASP A 9 46.240 47.803 46.825 1.00 0.00 C ATOM 135 CG ASP A 9 47.269 46.735 46.424 1.00 0.00 C ATOM 136 OD1 ASP A 9 46.932 45.530 46.505 1.00 0.00 O ATOM 137 OD2 ASP A 9 48.411 47.100 46.055 1.00 0.00 O ATOM 0 H ASP A 9 46.594 49.131 44.678 1.00 0.00 H new ATOM 0 HA ASP A 9 44.643 47.107 45.528 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.757 48.742 47.024 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.756 47.503 47.754 1.00 0.00 H new ATOM 142 N TYR A 10 43.048 48.543 46.928 1.00 0.00 N ATOM 143 CA TYR A 10 41.877 49.312 47.385 1.00 0.00 C ATOM 144 C TYR A 10 41.109 48.621 48.540 1.00 0.00 C ATOM 145 O TYR A 10 41.294 47.435 48.818 1.00 0.00 O ATOM 146 CB TYR A 10 40.956 49.559 46.175 1.00 0.00 C ATOM 147 CG TYR A 10 39.750 50.443 46.428 1.00 0.00 C ATOM 148 CD1 TYR A 10 39.928 51.801 46.754 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.447 49.906 46.365 1.00 0.00 C ATOM 150 CE1 TYR A 10 38.814 52.625 46.992 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.329 50.722 46.612 1.00 0.00 C ATOM 152 CZ TYR A 10 37.512 52.088 46.921 1.00 0.00 C ATOM 153 OH TYR A 10 36.443 52.896 47.135 1.00 0.00 O ATOM 0 H TYR A 10 42.979 47.554 47.168 1.00 0.00 H new ATOM 0 HA TYR A 10 42.227 50.259 47.796 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.549 50.007 45.377 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.604 48.595 45.808 1.00 0.00 H new ATOM 0 HD1 TYR A 10 40.925 52.212 46.822 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.307 48.862 46.126 1.00 0.00 H new ATOM 0 HE1 TYR A 10 38.955 53.669 47.229 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.334 50.306 46.566 1.00 0.00 H new ATOM 0 HH TYR A 10 35.671 52.354 47.402 1.00 0.00 H new ATOM 163 N GLU A 11 40.198 49.351 49.192 1.00 0.00 N ATOM 164 CA GLU A 11 39.456 48.921 50.380 1.00 0.00 C ATOM 165 C GLU A 11 38.185 49.770 50.523 1.00 0.00 C ATOM 166 O GLU A 11 38.255 50.995 50.637 1.00 0.00 O ATOM 167 CB GLU A 11 40.362 49.041 51.619 1.00 0.00 C ATOM 168 CG GLU A 11 39.710 48.542 52.912 1.00 0.00 C ATOM 169 CD GLU A 11 39.430 47.033 52.874 1.00 0.00 C ATOM 170 OE1 GLU A 11 38.352 46.636 52.367 1.00 0.00 O ATOM 171 OE2 GLU A 11 40.287 46.255 53.355 1.00 0.00 O ATOM 0 H GLU A 11 39.948 50.294 48.894 1.00 0.00 H new ATOM 0 HA GLU A 11 39.155 47.878 50.282 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.278 48.477 51.444 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.650 50.084 51.747 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.361 48.768 53.756 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.776 49.079 53.077 1.00 0.00 H new ATOM 178 N ALA A 12 37.021 49.122 50.513 1.00 0.00 N ATOM 179 CA ALA A 12 35.726 49.727 50.227 1.00 0.00 C ATOM 180 C ALA A 12 35.283 50.841 51.202 1.00 0.00 C ATOM 181 O ALA A 12 35.075 50.613 52.396 1.00 0.00 O ATOM 182 CB ALA A 12 34.689 48.603 50.152 1.00 0.00 C ATOM 0 H ALA A 12 36.954 48.124 50.712 1.00 0.00 H new ATOM 0 HA ALA A 12 35.818 50.251 49.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.708 49.027 49.939 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.964 47.907 49.360 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.656 48.074 51.104 1.00 0.00 H new ATOM 188 N ARG A 13 34.897 51.970 50.602 1.00 0.00 N ATOM 189 CA ARG A 13 34.668 53.254 51.275 1.00 0.00 C ATOM 190 C ARG A 13 33.220 53.469 51.754 1.00 0.00 C ATOM 191 O ARG A 13 33.040 54.129 52.781 1.00 0.00 O ATOM 192 CB ARG A 13 35.114 54.400 50.347 1.00 0.00 C ATOM 193 CG ARG A 13 36.624 54.464 50.033 1.00 0.00 C ATOM 194 CD ARG A 13 37.529 54.774 51.236 1.00 0.00 C ATOM 195 NE ARG A 13 37.976 53.539 51.895 1.00 0.00 N ATOM 196 CZ ARG A 13 38.543 53.387 53.082 1.00 0.00 C ATOM 197 NH1 ARG A 13 38.793 54.399 53.887 1.00 0.00 N ATOM 198 NH2 ARG A 13 38.871 52.169 53.455 1.00 0.00 N ATOM 0 H ARG A 13 34.729 52.018 49.597 1.00 0.00 H new ATOM 0 HA ARG A 13 35.268 53.244 52.185 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.570 54.312 49.406 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.816 55.346 50.800 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.931 53.510 49.604 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.788 55.224 49.269 1.00 0.00 H new ATOM 0 HD2 ARG A 13 38.395 55.347 50.905 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.989 55.396 51.950 1.00 0.00 H new ATOM 0 HE ARG A 13 37.829 52.680 51.365 1.00 0.00 H new ATOM 0 HH11 ARG A 13 38.548 55.348 53.605 1.00 0.00 H new ATOM 0 HH12 ARG A 13 39.232 54.234 54.793 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.687 51.379 52.836 1.00 0.00 H new ATOM 0 HH22 ARG A 13 39.310 52.014 54.363 1.00 0.00 H new ATOM 212 N THR A 14 32.191 52.934 51.071 1.00 0.00 N ATOM 213 CA THR A 14 30.775 52.969 51.514 1.00 0.00 C ATOM 214 C THR A 14 30.376 51.700 52.266 1.00 0.00 C ATOM 215 O THR A 14 29.556 51.810 53.174 1.00 0.00 O ATOM 216 CB THR A 14 29.768 53.229 50.375 1.00 0.00 C ATOM 217 OG1 THR A 14 29.497 52.063 49.641 1.00 0.00 O ATOM 218 CG2 THR A 14 30.173 54.341 49.403 1.00 0.00 C ATOM 0 H THR A 14 32.317 52.456 50.179 1.00 0.00 H new ATOM 0 HA THR A 14 30.725 53.821 52.192 1.00 0.00 H new ATOM 0 HB THR A 14 28.871 53.567 50.894 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.340 51.644 49.369 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.405 54.452 48.637 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.281 55.279 49.948 1.00 0.00 H new ATOM 0 HG23 THR A 14 31.122 54.084 48.931 1.00 0.00 H new ATOM 226 N GLU A 15 30.942 50.545 51.873 1.00 0.00 N ATOM 227 CA GLU A 15 30.753 49.152 52.346 1.00 0.00 C ATOM 228 C GLU A 15 30.006 48.299 51.291 1.00 0.00 C ATOM 229 O GLU A 15 30.140 47.075 51.262 1.00 0.00 O ATOM 230 CB GLU A 15 30.058 49.072 53.721 1.00 0.00 C ATOM 231 CG GLU A 15 30.126 47.708 54.416 1.00 0.00 C ATOM 232 CD GLU A 15 29.372 47.758 55.754 1.00 0.00 C ATOM 233 OE1 GLU A 15 29.931 48.273 56.750 1.00 0.00 O ATOM 234 OE2 GLU A 15 28.217 47.276 55.817 1.00 0.00 O ATOM 0 H GLU A 15 31.631 50.564 51.121 1.00 0.00 H new ATOM 0 HA GLU A 15 31.751 48.735 52.481 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.505 49.818 54.378 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.010 49.344 53.595 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.692 46.942 53.774 1.00 0.00 H new ATOM 0 HG3 GLU A 15 31.166 47.429 54.586 1.00 0.00 H new ATOM 241 N ASP A 16 29.240 48.942 50.403 1.00 0.00 N ATOM 242 CA ASP A 16 28.504 48.336 49.279 1.00 0.00 C ATOM 243 C ASP A 16 29.353 48.222 47.990 1.00 0.00 C ATOM 244 O ASP A 16 29.051 47.433 47.092 1.00 0.00 O ATOM 245 CB ASP A 16 27.255 49.199 49.054 1.00 0.00 C ATOM 246 CG ASP A 16 26.363 48.723 47.897 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.766 47.626 48.011 1.00 0.00 O ATOM 248 OD2 ASP A 16 26.203 49.487 46.917 1.00 0.00 O ATOM 0 H ASP A 16 29.107 49.952 50.448 1.00 0.00 H new ATOM 0 HA ASP A 16 28.237 47.309 49.527 1.00 0.00 H new ATOM 0 HB2 ASP A 16 26.666 49.212 49.971 1.00 0.00 H new ATOM 0 HB3 ASP A 16 27.566 50.226 48.860 1.00 0.00 H new ATOM 253 N ASP A 17 30.446 48.985 47.920 1.00 0.00 N ATOM 254 CA ASP A 17 31.551 48.804 46.985 1.00 0.00 C ATOM 255 C ASP A 17 32.462 47.623 47.388 1.00 0.00 C ATOM 256 O ASP A 17 32.374 47.079 48.492 1.00 0.00 O ATOM 257 CB ASP A 17 32.292 50.141 46.772 1.00 0.00 C ATOM 258 CG ASP A 17 32.823 50.861 48.026 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.066 51.017 49.020 1.00 0.00 O ATOM 260 OD2 ASP A 17 33.980 51.343 47.972 1.00 0.00 O ATOM 0 H ASP A 17 30.588 49.780 48.543 1.00 0.00 H new ATOM 0 HA ASP A 17 31.153 48.516 46.012 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.135 49.957 46.106 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.618 50.822 46.252 1.00 0.00 H new ATOM 265 N LEU A 18 33.310 47.189 46.453 1.00 0.00 N ATOM 266 CA LEU A 18 34.118 45.977 46.559 1.00 0.00 C ATOM 267 C LEU A 18 35.585 46.311 46.814 1.00 0.00 C ATOM 268 O LEU A 18 36.149 47.248 46.249 1.00 0.00 O ATOM 269 CB LEU A 18 33.985 45.115 45.292 1.00 0.00 C ATOM 270 CG LEU A 18 32.554 44.664 44.937 1.00 0.00 C ATOM 271 CD1 LEU A 18 32.619 43.712 43.735 1.00 0.00 C ATOM 272 CD2 LEU A 18 31.843 43.965 46.107 1.00 0.00 C ATOM 0 H LEU A 18 33.456 47.688 45.575 1.00 0.00 H new ATOM 0 HA LEU A 18 33.743 45.408 47.409 1.00 0.00 H new ATOM 0 HB2 LEU A 18 34.389 45.676 44.449 1.00 0.00 H new ATOM 0 HB3 LEU A 18 34.607 44.228 45.412 1.00 0.00 H new ATOM 0 HG LEU A 18 31.975 45.556 44.700 1.00 0.00 H new ATOM 0 HD11 LEU A 18 31.612 43.386 43.474 1.00 0.00 H new ATOM 0 HD12 LEU A 18 33.064 44.229 42.885 1.00 0.00 H new ATOM 0 HD13 LEU A 18 33.227 42.844 43.991 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.840 43.670 45.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.408 43.080 46.400 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.776 44.649 46.953 1.00 0.00 H new ATOM 284 N SER A 19 36.210 45.499 47.651 1.00 0.00 N ATOM 285 CA SER A 19 37.619 45.639 48.020 1.00 0.00 C ATOM 286 C SER A 19 38.499 44.724 47.175 1.00 0.00 C ATOM 287 O SER A 19 38.111 43.589 46.877 1.00 0.00 O ATOM 288 CB SER A 19 37.780 45.297 49.491 1.00 0.00 C ATOM 289 OG SER A 19 36.838 46.064 50.201 1.00 0.00 O ATOM 0 H SER A 19 35.749 44.709 48.103 1.00 0.00 H new ATOM 0 HA SER A 19 37.932 46.667 47.839 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.615 44.233 49.659 1.00 0.00 H new ATOM 0 HB3 SER A 19 38.792 45.520 49.830 1.00 0.00 H new ATOM 0 HG SER A 19 37.183 46.257 51.098 1.00 0.00 H new ATOM 295 N PHE A 20 39.676 45.207 46.771 1.00 0.00 N ATOM 296 CA PHE A 20 40.499 44.519 45.784 1.00 0.00 C ATOM 297 C PHE A 20 41.999 44.746 45.978 1.00 0.00 C ATOM 298 O PHE A 20 42.453 45.702 46.602 1.00 0.00 O ATOM 299 CB PHE A 20 40.009 44.870 44.367 1.00 0.00 C ATOM 300 CG PHE A 20 40.116 46.324 43.928 1.00 0.00 C ATOM 301 CD1 PHE A 20 41.353 46.844 43.503 1.00 0.00 C ATOM 302 CD2 PHE A 20 38.968 47.142 43.868 1.00 0.00 C ATOM 303 CE1 PHE A 20 41.443 48.162 43.018 1.00 0.00 C ATOM 304 CE2 PHE A 20 39.056 48.456 43.373 1.00 0.00 C ATOM 305 CZ PHE A 20 40.294 48.968 42.953 1.00 0.00 C ATOM 0 H PHE A 20 40.079 46.078 47.117 1.00 0.00 H new ATOM 0 HA PHE A 20 40.375 43.446 45.931 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.569 44.262 43.657 1.00 0.00 H new ATOM 0 HB3 PHE A 20 38.964 44.571 44.288 1.00 0.00 H new ATOM 0 HD1 PHE A 20 42.239 46.228 43.549 1.00 0.00 H new ATOM 0 HD2 PHE A 20 38.016 46.757 44.204 1.00 0.00 H new ATOM 0 HE1 PHE A 20 42.396 48.554 42.695 1.00 0.00 H new ATOM 0 HE2 PHE A 20 38.170 49.071 43.316 1.00 0.00 H new ATOM 0 HZ PHE A 20 40.363 49.979 42.581 1.00 0.00 H new ATOM 315 N HIS A 21 42.769 43.830 45.406 1.00 0.00 N ATOM 316 CA HIS A 21 44.224 43.860 45.381 1.00 0.00 C ATOM 317 C HIS A 21 44.705 43.731 43.934 1.00 0.00 C ATOM 318 O HIS A 21 44.006 43.169 43.086 1.00 0.00 O ATOM 319 CB HIS A 21 44.756 42.730 46.270 1.00 0.00 C ATOM 320 CG HIS A 21 44.649 43.056 47.737 1.00 0.00 C ATOM 321 ND1 HIS A 21 45.483 43.903 48.415 1.00 0.00 N ATOM 322 CD2 HIS A 21 43.711 42.619 48.633 1.00 0.00 C ATOM 323 CE1 HIS A 21 45.076 43.970 49.690 1.00 0.00 C ATOM 324 NE2 HIS A 21 43.994 43.193 49.880 1.00 0.00 N ATOM 0 H HIS A 21 42.382 43.016 44.929 1.00 0.00 H new ATOM 0 HA HIS A 21 44.603 44.804 45.772 1.00 0.00 H new ATOM 0 HB2 HIS A 21 44.201 41.815 46.062 1.00 0.00 H new ATOM 0 HB3 HIS A 21 45.798 42.534 46.019 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.280 44.400 48.017 1.00 0.00 H new ATOM 0 HD2 HIS A 21 42.893 41.947 48.416 1.00 0.00 H new ATOM 0 HE1 HIS A 21 45.550 44.564 50.457 1.00 0.00 H new ATOM 332 N LYS A 22 45.886 44.268 43.630 1.00 0.00 N ATOM 333 CA LYS A 22 46.436 44.185 42.277 1.00 0.00 C ATOM 334 C LYS A 22 46.580 42.718 41.818 1.00 0.00 C ATOM 335 O LYS A 22 47.158 41.880 42.516 1.00 0.00 O ATOM 336 CB LYS A 22 47.714 45.027 42.153 1.00 0.00 C ATOM 337 CG LYS A 22 48.828 44.676 43.153 1.00 0.00 C ATOM 338 CD LYS A 22 49.998 45.651 42.968 1.00 0.00 C ATOM 339 CE LYS A 22 51.147 45.441 43.963 1.00 0.00 C ATOM 340 NZ LYS A 22 50.724 45.587 45.379 1.00 0.00 N ATOM 0 H LYS A 22 46.478 44.762 44.298 1.00 0.00 H new ATOM 0 HA LYS A 22 45.730 44.628 41.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 48.107 44.916 41.142 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.452 46.077 42.279 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.449 44.734 44.173 1.00 0.00 H new ATOM 0 HG3 LYS A 22 49.165 43.651 42.996 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.385 45.550 41.954 1.00 0.00 H new ATOM 0 HD3 LYS A 22 49.627 46.671 43.067 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.570 44.447 43.817 1.00 0.00 H new ATOM 0 HE3 LYS A 22 51.940 46.159 43.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 51.488 46.033 45.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.872 46.181 45.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 50.515 44.649 45.777 1.00 0.00 H new ATOM 354 N GLY A 23 45.990 42.407 40.661 1.00 0.00 N ATOM 355 CA GLY A 23 45.777 41.053 40.135 1.00 0.00 C ATOM 356 C GLY A 23 44.353 40.507 40.314 1.00 0.00 C ATOM 357 O GLY A 23 44.041 39.505 39.674 1.00 0.00 O ATOM 0 H GLY A 23 45.630 43.126 40.034 1.00 0.00 H new ATOM 0 HA2 GLY A 23 46.021 41.049 39.073 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.475 40.374 40.625 1.00 0.00 H new ATOM 361 N GLU A 24 43.476 41.146 41.099 1.00 0.00 N ATOM 362 CA GLU A 24 42.079 40.721 41.268 1.00 0.00 C ATOM 363 C GLU A 24 41.270 40.936 39.985 1.00 0.00 C ATOM 364 O GLU A 24 41.334 41.990 39.350 1.00 0.00 O ATOM 365 CB GLU A 24 41.404 41.427 42.462 1.00 0.00 C ATOM 366 CG GLU A 24 39.875 41.234 42.619 1.00 0.00 C ATOM 367 CD GLU A 24 39.349 39.783 42.744 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.063 38.826 42.361 1.00 0.00 O ATOM 369 OE2 GLU A 24 38.187 39.603 43.189 1.00 0.00 O ATOM 0 H GLU A 24 43.717 41.978 41.638 1.00 0.00 H new ATOM 0 HA GLU A 24 42.097 39.653 41.483 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.885 41.081 43.377 1.00 0.00 H new ATOM 0 HB3 GLU A 24 41.604 42.495 42.381 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.555 41.786 43.503 1.00 0.00 H new ATOM 0 HG3 GLU A 24 39.387 41.696 41.761 1.00 0.00 H new ATOM 376 N LYS A 25 40.481 39.928 39.620 1.00 0.00 N ATOM 377 CA LYS A 25 39.692 39.891 38.393 1.00 0.00 C ATOM 378 C LYS A 25 38.220 40.278 38.634 1.00 0.00 C ATOM 379 O LYS A 25 37.585 39.857 39.605 1.00 0.00 O ATOM 380 CB LYS A 25 39.803 38.507 37.730 1.00 0.00 C ATOM 381 CG LYS A 25 41.236 38.016 37.436 1.00 0.00 C ATOM 382 CD LYS A 25 41.822 37.167 38.578 1.00 0.00 C ATOM 383 CE LYS A 25 43.088 36.393 38.179 1.00 0.00 C ATOM 384 NZ LYS A 25 44.263 37.265 37.948 1.00 0.00 N ATOM 0 H LYS A 25 40.370 39.088 40.189 1.00 0.00 H new ATOM 0 HA LYS A 25 40.103 40.638 37.714 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.314 37.776 38.374 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.247 38.528 36.793 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.233 37.429 36.518 1.00 0.00 H new ATOM 0 HG3 LYS A 25 41.881 38.877 37.261 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.054 37.817 39.421 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.066 36.460 38.919 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.327 35.674 38.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 42.885 35.822 37.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.129 36.689 37.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.167 37.740 37.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.319 37.979 38.702 1.00 0.00 H new ATOM 398 N PHE A 26 37.666 41.043 37.696 1.00 0.00 N ATOM 399 CA PHE A 26 36.333 41.643 37.726 1.00 0.00 C ATOM 400 C PHE A 26 35.533 41.350 36.452 1.00 0.00 C ATOM 401 O PHE A 26 36.092 41.264 35.365 1.00 0.00 O ATOM 402 CB PHE A 26 36.494 43.166 37.865 1.00 0.00 C ATOM 403 CG PHE A 26 36.742 43.645 39.277 1.00 0.00 C ATOM 404 CD1 PHE A 26 38.053 43.762 39.778 1.00 0.00 C ATOM 405 CD2 PHE A 26 35.648 44.003 40.086 1.00 0.00 C ATOM 406 CE1 PHE A 26 38.264 44.242 41.084 1.00 0.00 C ATOM 407 CE2 PHE A 26 35.861 44.483 41.387 1.00 0.00 C ATOM 408 CZ PHE A 26 37.167 44.602 41.886 1.00 0.00 C ATOM 0 H PHE A 26 38.168 41.276 36.839 1.00 0.00 H new ATOM 0 HA PHE A 26 35.787 41.214 38.566 1.00 0.00 H new ATOM 0 HB2 PHE A 26 37.322 43.490 37.235 1.00 0.00 H new ATOM 0 HB3 PHE A 26 35.595 43.650 37.484 1.00 0.00 H new ATOM 0 HD1 PHE A 26 38.895 43.484 39.161 1.00 0.00 H new ATOM 0 HD2 PHE A 26 34.642 43.908 39.705 1.00 0.00 H new ATOM 0 HE1 PHE A 26 39.268 44.334 41.470 1.00 0.00 H new ATOM 0 HE2 PHE A 26 35.020 44.761 42.004 1.00 0.00 H new ATOM 0 HZ PHE A 26 37.330 44.971 42.888 1.00 0.00 H new ATOM 418 N GLN A 27 34.209 41.335 36.584 1.00 0.00 N ATOM 419 CA GLN A 27 33.211 41.396 35.520 1.00 0.00 C ATOM 420 C GLN A 27 32.428 42.708 35.658 1.00 0.00 C ATOM 421 O GLN A 27 31.955 43.026 36.745 1.00 0.00 O ATOM 422 CB GLN A 27 32.288 40.171 35.678 1.00 0.00 C ATOM 423 CG GLN A 27 31.092 40.168 34.714 1.00 0.00 C ATOM 424 CD GLN A 27 30.302 38.857 34.771 1.00 0.00 C ATOM 425 OE1 GLN A 27 29.536 38.598 35.693 1.00 0.00 O ATOM 426 NE2 GLN A 27 30.455 37.984 33.793 1.00 0.00 N ATOM 0 H GLN A 27 33.774 41.276 37.505 1.00 0.00 H new ATOM 0 HA GLN A 27 33.668 41.376 34.531 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.872 39.265 35.520 1.00 0.00 H new ATOM 0 HB3 GLN A 27 31.917 40.137 36.702 1.00 0.00 H new ATOM 0 HG2 GLN A 27 30.430 40.999 34.957 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.448 40.331 33.697 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.089 38.189 33.021 1.00 0.00 H new ATOM 0 HE22 GLN A 27 29.939 37.104 33.809 1.00 0.00 H new ATOM 435 N ILE A 28 32.233 43.439 34.559 1.00 0.00 N ATOM 436 CA ILE A 28 31.566 44.747 34.511 1.00 0.00 C ATOM 437 C ILE A 28 30.151 44.596 33.930 1.00 0.00 C ATOM 438 O ILE A 28 29.965 44.122 32.800 1.00 0.00 O ATOM 439 CB ILE A 28 32.402 45.754 33.684 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.922 45.757 33.988 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.812 47.169 33.835 1.00 0.00 C ATOM 442 CD1 ILE A 28 34.327 45.977 35.451 1.00 0.00 C ATOM 0 H ILE A 28 32.547 43.126 33.640 1.00 0.00 H new ATOM 0 HA ILE A 28 31.481 45.137 35.525 1.00 0.00 H new ATOM 0 HB ILE A 28 32.330 45.417 32.650 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.338 44.805 33.658 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.389 46.535 33.384 1.00 0.00 H new ATOM 0 HG21 ILE A 28 32.404 47.874 33.251 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.783 47.174 33.476 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.831 47.461 34.885 1.00 0.00 H new ATOM 0 HD11 ILE A 28 35.414 45.958 35.535 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.954 46.943 35.790 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.902 45.186 36.069 1.00 0.00 H new ATOM 454 N LEU A 29 29.160 45.015 34.716 1.00 0.00 N ATOM 455 CA LEU A 29 27.728 44.804 34.507 1.00 0.00 C ATOM 456 C LEU A 29 27.020 46.042 33.925 1.00 0.00 C ATOM 457 O LEU A 29 26.149 45.862 33.076 1.00 0.00 O ATOM 458 CB LEU A 29 27.101 44.383 35.857 1.00 0.00 C ATOM 459 CG LEU A 29 27.738 43.148 36.540 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.052 42.885 37.888 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.650 41.891 35.663 1.00 0.00 C ATOM 0 H LEU A 29 29.347 45.543 35.568 1.00 0.00 H new ATOM 0 HA LEU A 29 27.595 44.017 33.764 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.163 45.227 36.544 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.042 44.180 35.697 1.00 0.00 H new ATOM 0 HG LEU A 29 28.794 43.370 36.695 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.505 42.015 38.363 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.173 43.755 38.534 1.00 0.00 H new ATOM 0 HD13 LEU A 29 25.990 42.698 37.726 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.110 41.051 36.184 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.604 41.663 35.458 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.174 42.066 34.723 1.00 0.00 H new ATOM 473 N ASN A 30 27.415 47.269 34.316 1.00 0.00 N ATOM 474 CA ASN A 30 26.988 48.554 33.717 1.00 0.00 C ATOM 475 C ASN A 30 27.762 49.781 34.271 1.00 0.00 C ATOM 476 O ASN A 30 28.101 49.854 35.452 1.00 0.00 O ATOM 477 CB ASN A 30 25.462 48.785 33.819 1.00 0.00 C ATOM 478 CG ASN A 30 24.997 49.858 32.827 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.229 49.760 31.629 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.356 50.921 33.273 1.00 0.00 N ATOM 0 H ASN A 30 28.067 47.400 35.089 1.00 0.00 H new ATOM 0 HA ASN A 30 27.243 48.463 32.661 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.936 47.851 33.622 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.204 49.088 34.834 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.060 51.649 32.622 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.156 51.015 34.269 1.00 0.00 H new ATOM 487 N SER A 31 28.079 50.752 33.411 1.00 0.00 N ATOM 488 CA SER A 31 28.862 51.973 33.716 1.00 0.00 C ATOM 489 C SER A 31 28.019 53.124 34.320 1.00 0.00 C ATOM 490 O SER A 31 28.003 54.252 33.832 1.00 0.00 O ATOM 491 CB SER A 31 29.565 52.459 32.438 1.00 0.00 C ATOM 492 OG SER A 31 30.176 51.403 31.716 1.00 0.00 O ATOM 0 H SER A 31 27.787 50.716 32.434 1.00 0.00 H new ATOM 0 HA SER A 31 29.588 51.695 34.480 1.00 0.00 H new ATOM 0 HB2 SER A 31 28.840 52.960 31.797 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.321 53.198 32.702 1.00 0.00 H new ATOM 0 HG SER A 31 30.607 51.763 30.913 1.00 0.00 H new ATOM 498 N SER A 32 27.246 52.831 35.359 1.00 0.00 N ATOM 499 CA SER A 32 25.982 53.531 35.647 1.00 0.00 C ATOM 500 C SER A 32 26.094 54.931 36.245 1.00 0.00 C ATOM 501 O SER A 32 25.215 55.761 35.998 1.00 0.00 O ATOM 502 CB SER A 32 25.181 52.648 36.585 1.00 0.00 C ATOM 503 OG SER A 32 25.098 51.408 35.937 1.00 0.00 O ATOM 0 H SER A 32 27.472 52.100 36.033 1.00 0.00 H new ATOM 0 HA SER A 32 25.504 53.697 34.682 1.00 0.00 H new ATOM 0 HB2 SER A 32 25.672 52.555 37.554 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.190 53.064 36.768 1.00 0.00 H new ATOM 0 HG SER A 32 24.728 50.741 36.553 1.00 0.00 H new ATOM 509 N GLU A 33 27.151 55.217 37.010 1.00 0.00 N ATOM 510 CA GLU A 33 27.454 56.557 37.527 1.00 0.00 C ATOM 511 C GLU A 33 28.666 57.186 36.804 1.00 0.00 C ATOM 512 O GLU A 33 29.135 58.259 37.191 1.00 0.00 O ATOM 513 CB GLU A 33 27.678 56.490 39.050 1.00 0.00 C ATOM 514 CG GLU A 33 26.538 55.777 39.797 1.00 0.00 C ATOM 515 CD GLU A 33 26.566 56.070 41.304 1.00 0.00 C ATOM 516 OE1 GLU A 33 26.142 57.178 41.710 1.00 0.00 O ATOM 517 OE2 GLU A 33 26.980 55.187 42.089 1.00 0.00 O ATOM 0 H GLU A 33 27.833 54.513 37.293 1.00 0.00 H new ATOM 0 HA GLU A 33 26.600 57.205 37.328 1.00 0.00 H new ATOM 0 HB2 GLU A 33 28.616 55.972 39.251 1.00 0.00 H new ATOM 0 HB3 GLU A 33 27.783 57.502 39.441 1.00 0.00 H new ATOM 0 HG2 GLU A 33 25.580 56.093 39.384 1.00 0.00 H new ATOM 0 HG3 GLU A 33 26.615 54.702 39.635 1.00 0.00 H new ATOM 524 N GLY A 34 29.196 56.516 35.768 1.00 0.00 N ATOM 525 CA GLY A 34 30.334 56.937 34.940 1.00 0.00 C ATOM 526 C GLY A 34 31.686 56.731 35.625 1.00 0.00 C ATOM 527 O GLY A 34 32.545 56.018 35.109 1.00 0.00 O ATOM 0 H GLY A 34 28.820 55.616 35.470 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.320 56.379 34.004 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.220 57.991 34.685 1.00 0.00 H new ATOM 531 N ASP A 35 31.857 57.356 36.786 1.00 0.00 N ATOM 532 CA ASP A 35 33.051 57.301 37.641 1.00 0.00 C ATOM 533 C ASP A 35 33.081 56.044 38.534 1.00 0.00 C ATOM 534 O ASP A 35 34.152 55.500 38.813 1.00 0.00 O ATOM 535 CB ASP A 35 33.073 58.579 38.495 1.00 0.00 C ATOM 536 CG ASP A 35 34.444 58.846 39.135 1.00 0.00 C ATOM 537 OD1 ASP A 35 35.412 59.088 38.378 1.00 0.00 O ATOM 538 OD2 ASP A 35 34.528 58.880 40.385 1.00 0.00 O ATOM 0 H ASP A 35 31.128 57.949 37.183 1.00 0.00 H new ATOM 0 HA ASP A 35 33.938 57.240 37.011 1.00 0.00 H new ATOM 0 HB2 ASP A 35 32.796 59.430 37.873 1.00 0.00 H new ATOM 0 HB3 ASP A 35 32.321 58.499 39.280 1.00 0.00 H new ATOM 543 N TRP A 36 31.897 55.555 38.930 1.00 0.00 N ATOM 544 CA TRP A 36 31.702 54.268 39.603 1.00 0.00 C ATOM 545 C TRP A 36 30.826 53.352 38.741 1.00 0.00 C ATOM 546 O TRP A 36 29.772 53.764 38.242 1.00 0.00 O ATOM 547 CB TRP A 36 31.044 54.449 40.979 1.00 0.00 C ATOM 548 CG TRP A 36 31.801 55.240 42.000 1.00 0.00 C ATOM 549 CD1 TRP A 36 31.957 56.581 41.980 1.00 0.00 C ATOM 550 CD2 TRP A 36 32.461 54.783 43.225 1.00 0.00 C ATOM 551 NE1 TRP A 36 32.670 56.987 43.086 1.00 0.00 N ATOM 552 CE2 TRP A 36 32.987 55.925 43.902 1.00 0.00 C ATOM 553 CE3 TRP A 36 32.649 53.529 43.847 1.00 0.00 C ATOM 554 CZ2 TRP A 36 33.648 55.835 45.135 1.00 0.00 C ATOM 555 CZ3 TRP A 36 33.318 53.426 45.083 1.00 0.00 C ATOM 556 CH2 TRP A 36 33.808 54.574 45.730 1.00 0.00 C ATOM 0 H TRP A 36 31.024 56.062 38.785 1.00 0.00 H new ATOM 0 HA TRP A 36 32.684 53.817 39.745 1.00 0.00 H new ATOM 0 HB2 TRP A 36 30.076 54.928 40.830 1.00 0.00 H new ATOM 0 HB3 TRP A 36 30.850 53.460 41.394 1.00 0.00 H new ATOM 0 HD1 TRP A 36 31.579 57.238 41.211 1.00 0.00 H new ATOM 0 HE1 TRP A 36 32.931 57.954 43.277 1.00 0.00 H new ATOM 0 HE3 TRP A 36 32.275 52.636 43.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 34.028 56.722 45.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 33.456 52.456 45.538 1.00 0.00 H new ATOM 0 HH2 TRP A 36 34.307 54.486 46.684 1.00 0.00 H new ATOM 567 N TRP A 37 31.256 52.100 38.574 1.00 0.00 N ATOM 568 CA TRP A 37 30.563 51.094 37.769 1.00 0.00 C ATOM 569 C TRP A 37 29.979 49.976 38.634 1.00 0.00 C ATOM 570 O TRP A 37 30.529 49.641 39.682 1.00 0.00 O ATOM 571 CB TRP A 37 31.543 50.464 36.773 1.00 0.00 C ATOM 572 CG TRP A 37 32.256 51.359 35.811 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.993 52.658 35.549 1.00 0.00 C ATOM 574 CD2 TRP A 37 33.375 51.004 34.948 1.00 0.00 C ATOM 575 NE1 TRP A 37 32.854 53.116 34.579 1.00 0.00 N ATOM 576 CE2 TRP A 37 33.705 52.129 34.140 1.00 0.00 C ATOM 577 CE3 TRP A 37 34.140 49.836 34.771 1.00 0.00 C ATOM 578 CZ2 TRP A 37 34.716 52.086 33.170 1.00 0.00 C ATOM 579 CZ3 TRP A 37 35.160 49.778 33.802 1.00 0.00 C ATOM 580 CH2 TRP A 37 35.439 50.896 32.996 1.00 0.00 C ATOM 0 H TRP A 37 32.113 51.751 39.003 1.00 0.00 H new ATOM 0 HA TRP A 37 29.749 51.600 37.250 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.298 49.925 37.346 1.00 0.00 H new ATOM 0 HB3 TRP A 37 30.994 49.723 36.192 1.00 0.00 H new ATOM 0 HD1 TRP A 37 31.224 53.247 36.028 1.00 0.00 H new ATOM 0 HE1 TRP A 37 32.860 54.073 34.227 1.00 0.00 H new ATOM 0 HE3 TRP A 37 33.942 48.972 35.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 34.935 52.954 32.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 35.731 48.870 33.677 1.00 0.00 H new ATOM 0 HH2 TRP A 37 36.210 50.839 32.242 1.00 0.00 H new ATOM 591 N GLU A 38 28.912 49.355 38.141 1.00 0.00 N ATOM 592 CA GLU A 38 28.369 48.107 38.655 1.00 0.00 C ATOM 593 C GLU A 38 29.139 46.917 38.074 1.00 0.00 C ATOM 594 O GLU A 38 29.378 46.821 36.870 1.00 0.00 O ATOM 595 CB GLU A 38 26.876 48.001 38.334 1.00 0.00 C ATOM 596 CG GLU A 38 26.060 48.859 39.303 1.00 0.00 C ATOM 597 CD GLU A 38 24.604 48.951 38.842 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.319 49.805 37.967 1.00 0.00 O ATOM 599 OE2 GLU A 38 23.762 48.166 39.337 1.00 0.00 O ATOM 0 H GLU A 38 28.386 49.720 37.347 1.00 0.00 H new ATOM 0 HA GLU A 38 28.483 48.093 39.739 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.694 48.325 37.309 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.556 46.961 38.401 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.104 48.430 40.304 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.492 49.858 39.365 1.00 0.00 H new ATOM 606 N VAL A 39 29.528 46.035 38.985 1.00 0.00 N ATOM 607 CA VAL A 39 30.489 44.956 38.788 1.00 0.00 C ATOM 608 C VAL A 39 30.175 43.736 39.657 1.00 0.00 C ATOM 609 O VAL A 39 29.330 43.772 40.552 1.00 0.00 O ATOM 610 CB VAL A 39 31.943 45.425 39.072 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.377 46.586 38.165 1.00 0.00 C ATOM 612 CG2 VAL A 39 32.174 45.810 40.547 1.00 0.00 C ATOM 0 H VAL A 39 29.161 46.054 39.936 1.00 0.00 H new ATOM 0 HA VAL A 39 30.404 44.667 37.740 1.00 0.00 H new ATOM 0 HB VAL A 39 32.563 44.558 38.846 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.400 46.873 38.406 1.00 0.00 H new ATOM 0 HG12 VAL A 39 32.324 46.272 37.122 1.00 0.00 H new ATOM 0 HG13 VAL A 39 31.715 47.437 38.322 1.00 0.00 H new ATOM 0 HG21 VAL A 39 33.208 46.129 40.682 1.00 0.00 H new ATOM 0 HG22 VAL A 39 31.504 46.626 40.819 1.00 0.00 H new ATOM 0 HG23 VAL A 39 31.974 44.948 41.184 1.00 0.00 H new ATOM 622 N ARG A 40 30.966 42.691 39.443 1.00 0.00 N ATOM 623 CA ARG A 40 31.301 41.698 40.448 1.00 0.00 C ATOM 624 C ARG A 40 32.757 41.269 40.328 1.00 0.00 C ATOM 625 O ARG A 40 33.376 41.361 39.269 1.00 0.00 O ATOM 626 CB ARG A 40 30.347 40.498 40.369 1.00 0.00 C ATOM 627 CG ARG A 40 30.388 39.716 39.045 1.00 0.00 C ATOM 628 CD ARG A 40 29.529 38.447 39.123 1.00 0.00 C ATOM 629 NE ARG A 40 28.154 38.750 39.556 1.00 0.00 N ATOM 630 CZ ARG A 40 27.083 38.999 38.812 1.00 0.00 C ATOM 631 NH1 ARG A 40 27.079 38.883 37.501 1.00 0.00 N ATOM 632 NH2 ARG A 40 25.981 39.391 39.414 1.00 0.00 N ATOM 0 H ARG A 40 31.402 42.509 38.539 1.00 0.00 H new ATOM 0 HA ARG A 40 31.177 42.152 41.431 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.581 39.814 41.184 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.329 40.852 40.532 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.031 40.350 38.234 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.418 39.447 38.810 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.505 37.962 38.147 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.983 37.741 39.819 1.00 0.00 H new ATOM 0 HE ARG A 40 28.004 38.771 40.565 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.925 38.590 37.012 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.230 39.086 36.974 1.00 0.00 H new ATOM 0 HH21 ARG A 40 25.964 39.497 40.428 1.00 0.00 H new ATOM 0 HH22 ARG A 40 25.144 39.589 38.866 1.00 0.00 H new ATOM 646 N SER A 41 33.297 40.746 41.410 1.00 0.00 N ATOM 647 CA SER A 41 34.432 39.841 41.391 1.00 0.00 C ATOM 648 C SER A 41 34.170 38.640 40.467 1.00 0.00 C ATOM 649 O SER A 41 33.120 38.000 40.534 1.00 0.00 O ATOM 650 CB SER A 41 34.641 39.335 42.821 1.00 0.00 C ATOM 651 OG SER A 41 35.488 38.211 42.834 1.00 0.00 O ATOM 0 H SER A 41 32.952 40.942 42.350 1.00 0.00 H new ATOM 0 HA SER A 41 35.311 40.367 41.018 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.072 40.128 43.433 1.00 0.00 H new ATOM 0 HB3 SER A 41 33.679 39.077 43.264 1.00 0.00 H new ATOM 0 HG SER A 41 36.417 38.503 42.943 1.00 0.00 H new ATOM 657 N LEU A 42 35.172 38.303 39.657 1.00 0.00 N ATOM 658 CA LEU A 42 35.233 37.033 38.934 1.00 0.00 C ATOM 659 C LEU A 42 35.793 35.904 39.821 1.00 0.00 C ATOM 660 O LEU A 42 35.315 34.770 39.752 1.00 0.00 O ATOM 661 CB LEU A 42 36.038 37.261 37.644 1.00 0.00 C ATOM 662 CG LEU A 42 36.075 36.048 36.694 1.00 0.00 C ATOM 663 CD1 LEU A 42 34.672 35.543 36.321 1.00 0.00 C ATOM 664 CD2 LEU A 42 36.819 36.451 35.416 1.00 0.00 C ATOM 0 H LEU A 42 35.973 38.910 39.482 1.00 0.00 H new ATOM 0 HA LEU A 42 34.233 36.697 38.661 1.00 0.00 H new ATOM 0 HB2 LEU A 42 35.614 38.112 37.111 1.00 0.00 H new ATOM 0 HB3 LEU A 42 37.060 37.530 37.911 1.00 0.00 H new ATOM 0 HG LEU A 42 36.584 35.235 37.212 1.00 0.00 H new ATOM 0 HD11 LEU A 42 34.759 34.688 35.650 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.141 35.243 37.224 1.00 0.00 H new ATOM 0 HD13 LEU A 42 34.119 36.340 35.823 1.00 0.00 H new ATOM 0 HD21 LEU A 42 36.854 35.603 34.732 1.00 0.00 H new ATOM 0 HD22 LEU A 42 36.298 37.281 34.938 1.00 0.00 H new ATOM 0 HD23 LEU A 42 37.835 36.757 35.667 1.00 0.00 H new ATOM 676 N THR A 43 36.781 36.220 40.667 1.00 0.00 N ATOM 677 CA THR A 43 37.517 35.289 41.544 1.00 0.00 C ATOM 678 C THR A 43 36.649 34.616 42.602 1.00 0.00 C ATOM 679 O THR A 43 36.808 33.413 42.810 1.00 0.00 O ATOM 680 CB THR A 43 38.661 36.067 42.175 1.00 0.00 C ATOM 681 OG1 THR A 43 39.459 36.446 41.093 1.00 0.00 O ATOM 682 CG2 THR A 43 39.561 35.332 43.164 1.00 0.00 C ATOM 0 H THR A 43 37.109 37.181 40.767 1.00 0.00 H new ATOM 0 HA THR A 43 37.889 34.463 40.938 1.00 0.00 H new ATOM 0 HB THR A 43 38.211 36.861 42.771 1.00 0.00 H new ATOM 0 HG1 THR A 43 39.845 37.330 41.265 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.330 36.012 43.531 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.964 34.973 44.002 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.033 34.485 42.666 1.00 0.00 H new ATOM 690 N THR A 44 35.724 35.343 43.246 1.00 0.00 N ATOM 691 CA THR A 44 34.778 34.823 44.250 1.00 0.00 C ATOM 692 C THR A 44 33.339 34.819 43.737 1.00 0.00 C ATOM 693 O THR A 44 32.602 33.876 44.024 1.00 0.00 O ATOM 694 CB THR A 44 34.844 35.652 45.541 1.00 0.00 C ATOM 695 OG1 THR A 44 34.402 36.964 45.279 1.00 0.00 O ATOM 696 CG2 THR A 44 36.249 35.708 46.150 1.00 0.00 C ATOM 0 H THR A 44 35.608 36.342 43.078 1.00 0.00 H new ATOM 0 HA THR A 44 35.075 33.794 44.454 1.00 0.00 H new ATOM 0 HB THR A 44 34.198 35.158 46.267 1.00 0.00 H new ATOM 0 HG1 THR A 44 34.899 37.331 44.518 1.00 0.00 H new ATOM 0 HG21 THR A 44 36.228 36.309 47.059 1.00 0.00 H new ATOM 0 HG22 THR A 44 36.582 34.698 46.390 1.00 0.00 H new ATOM 0 HG23 THR A 44 36.938 36.157 45.435 1.00 0.00 H new ATOM 704 N GLY A 45 32.943 35.850 42.976 1.00 0.00 N ATOM 705 CA GLY A 45 31.566 36.109 42.525 1.00 0.00 C ATOM 706 C GLY A 45 30.870 37.282 43.233 1.00 0.00 C ATOM 707 O GLY A 45 29.758 37.648 42.844 1.00 0.00 O ATOM 0 H GLY A 45 33.600 36.556 42.644 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.580 36.306 41.453 1.00 0.00 H new ATOM 0 HA3 GLY A 45 30.973 35.207 42.676 1.00 0.00 H new ATOM 711 N GLU A 46 31.487 37.871 44.267 1.00 0.00 N ATOM 712 CA GLU A 46 30.903 38.947 45.081 1.00 0.00 C ATOM 713 C GLU A 46 30.584 40.191 44.229 1.00 0.00 C ATOM 714 O GLU A 46 31.427 40.638 43.452 1.00 0.00 O ATOM 715 CB GLU A 46 31.852 39.289 46.244 1.00 0.00 C ATOM 716 CG GLU A 46 31.216 40.180 47.320 1.00 0.00 C ATOM 717 CD GLU A 46 30.115 39.446 48.100 1.00 0.00 C ATOM 718 OE1 GLU A 46 28.944 39.477 47.657 1.00 0.00 O ATOM 719 OE2 GLU A 46 30.418 38.841 49.153 1.00 0.00 O ATOM 0 H GLU A 46 32.425 37.607 44.567 1.00 0.00 H new ATOM 0 HA GLU A 46 29.956 38.598 45.493 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.193 38.363 46.707 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.734 39.790 45.846 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.987 40.518 48.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 30.796 41.070 46.852 1.00 0.00 H new ATOM 726 N THR A 47 29.365 40.732 44.358 1.00 0.00 N ATOM 727 CA THR A 47 28.745 41.722 43.451 1.00 0.00 C ATOM 728 C THR A 47 28.572 43.070 44.159 1.00 0.00 C ATOM 729 O THR A 47 28.225 43.110 45.339 1.00 0.00 O ATOM 730 CB THR A 47 27.389 41.181 42.964 1.00 0.00 C ATOM 731 OG1 THR A 47 27.592 40.004 42.218 1.00 0.00 O ATOM 732 CG2 THR A 47 26.610 42.114 42.041 1.00 0.00 C ATOM 0 H THR A 47 28.751 40.483 45.133 1.00 0.00 H new ATOM 0 HA THR A 47 29.396 41.882 42.591 1.00 0.00 H new ATOM 0 HB THR A 47 26.813 41.039 43.879 1.00 0.00 H new ATOM 0 HG1 THR A 47 26.813 39.418 42.314 1.00 0.00 H new ATOM 0 HG21 THR A 47 25.671 41.641 41.754 1.00 0.00 H new ATOM 0 HG22 THR A 47 26.402 43.049 42.561 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.200 42.319 41.148 1.00 0.00 H new ATOM 740 N GLY A 48 28.792 44.171 43.430 1.00 0.00 N ATOM 741 CA GLY A 48 28.713 45.551 43.926 1.00 0.00 C ATOM 742 C GLY A 48 29.300 46.592 42.966 1.00 0.00 C ATOM 743 O GLY A 48 29.069 46.539 41.756 1.00 0.00 O ATOM 0 H GLY A 48 29.039 44.124 42.442 1.00 0.00 H new ATOM 0 HA2 GLY A 48 27.669 45.798 44.119 1.00 0.00 H new ATOM 0 HA3 GLY A 48 29.237 45.614 44.879 1.00 0.00 H new ATOM 747 N TYR A 49 30.036 47.558 43.519 1.00 0.00 N ATOM 748 CA TYR A 49 30.654 48.683 42.796 1.00 0.00 C ATOM 749 C TYR A 49 32.192 48.721 42.917 1.00 0.00 C ATOM 750 O TYR A 49 32.772 48.061 43.775 1.00 0.00 O ATOM 751 CB TYR A 49 30.083 50.004 43.338 1.00 0.00 C ATOM 752 CG TYR A 49 28.668 50.336 42.916 1.00 0.00 C ATOM 753 CD1 TYR A 49 27.578 49.899 43.689 1.00 0.00 C ATOM 754 CD2 TYR A 49 28.447 51.160 41.795 1.00 0.00 C ATOM 755 CE1 TYR A 49 26.271 50.301 43.362 1.00 0.00 C ATOM 756 CE2 TYR A 49 27.144 51.574 41.465 1.00 0.00 C ATOM 757 CZ TYR A 49 26.051 51.151 42.255 1.00 0.00 C ATOM 758 OH TYR A 49 24.789 51.572 41.971 1.00 0.00 O ATOM 0 H TYR A 49 30.228 47.584 44.520 1.00 0.00 H new ATOM 0 HA TYR A 49 30.418 48.546 41.741 1.00 0.00 H new ATOM 0 HB2 TYR A 49 30.119 49.973 44.427 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.736 50.817 43.021 1.00 0.00 H new ATOM 0 HD1 TYR A 49 27.745 49.252 44.537 1.00 0.00 H new ATOM 0 HD2 TYR A 49 29.282 51.475 41.186 1.00 0.00 H new ATOM 0 HE1 TYR A 49 25.436 49.960 43.956 1.00 0.00 H new ATOM 0 HE2 TYR A 49 26.979 52.213 40.610 1.00 0.00 H new ATOM 0 HH TYR A 49 24.807 52.151 41.180 1.00 0.00 H new ATOM 768 N ILE A 50 32.842 49.587 42.129 1.00 0.00 N ATOM 769 CA ILE A 50 34.260 49.984 42.253 1.00 0.00 C ATOM 770 C ILE A 50 34.475 51.424 41.735 1.00 0.00 C ATOM 771 O ILE A 50 33.669 51.887 40.919 1.00 0.00 O ATOM 772 CB ILE A 50 35.227 49.006 41.530 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.786 48.507 40.136 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.535 47.786 42.410 1.00 0.00 C ATOM 775 CD1 ILE A 50 34.671 49.587 39.055 1.00 0.00 C ATOM 0 H ILE A 50 32.377 50.054 41.351 1.00 0.00 H new ATOM 0 HA ILE A 50 34.498 49.943 43.316 1.00 0.00 H new ATOM 0 HB ILE A 50 36.113 49.618 41.359 1.00 0.00 H new ATOM 0 HG12 ILE A 50 35.497 47.753 39.798 1.00 0.00 H new ATOM 0 HG13 ILE A 50 33.820 48.012 40.235 1.00 0.00 H new ATOM 0 HG21 ILE A 50 36.214 47.117 41.880 1.00 0.00 H new ATOM 0 HG22 ILE A 50 36.001 48.116 43.339 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.609 47.258 42.637 1.00 0.00 H new ATOM 0 HD11 ILE A 50 34.356 49.131 38.117 1.00 0.00 H new ATOM 0 HD12 ILE A 50 33.936 50.332 39.361 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.639 50.068 38.917 1.00 0.00 H new ATOM 787 N PRO A 51 35.543 52.127 42.168 1.00 0.00 N ATOM 788 CA PRO A 51 36.025 53.337 41.516 1.00 0.00 C ATOM 789 C PRO A 51 36.852 52.960 40.279 1.00 0.00 C ATOM 790 O PRO A 51 37.966 52.449 40.380 1.00 0.00 O ATOM 791 CB PRO A 51 36.853 54.063 42.577 1.00 0.00 C ATOM 792 CG PRO A 51 37.411 52.926 43.435 1.00 0.00 C ATOM 793 CD PRO A 51 36.318 51.857 43.374 1.00 0.00 C ATOM 0 HA PRO A 51 35.223 53.981 41.157 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.650 54.655 42.128 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.241 54.747 43.165 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.357 52.554 43.042 1.00 0.00 H new ATOM 0 HG3 PRO A 51 37.597 53.251 44.459 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.753 50.858 43.340 1.00 0.00 H new ATOM 0 HD3 PRO A 51 35.684 51.899 44.260 1.00 0.00 H new ATOM 801 N SER A 52 36.291 53.205 39.098 1.00 0.00 N ATOM 802 CA SER A 52 36.899 52.941 37.787 1.00 0.00 C ATOM 803 C SER A 52 38.340 53.481 37.614 1.00 0.00 C ATOM 804 O SER A 52 39.217 52.691 37.240 1.00 0.00 O ATOM 805 CB SER A 52 35.956 53.492 36.703 1.00 0.00 C ATOM 806 OG SER A 52 36.602 53.620 35.453 1.00 0.00 O ATOM 0 H SER A 52 35.359 53.611 39.020 1.00 0.00 H new ATOM 0 HA SER A 52 37.016 51.861 37.694 1.00 0.00 H new ATOM 0 HB2 SER A 52 35.096 52.830 36.600 1.00 0.00 H new ATOM 0 HB3 SER A 52 35.574 54.464 37.015 1.00 0.00 H new ATOM 0 HG SER A 52 36.060 53.189 34.759 1.00 0.00 H new ATOM 812 N PRO A 53 38.636 54.773 37.881 1.00 0.00 N ATOM 813 CA PRO A 53 39.960 55.338 37.610 1.00 0.00 C ATOM 814 C PRO A 53 41.055 54.862 38.581 1.00 0.00 C ATOM 815 O PRO A 53 42.235 54.969 38.253 1.00 0.00 O ATOM 816 CB PRO A 53 39.773 56.856 37.634 1.00 0.00 C ATOM 817 CG PRO A 53 38.554 57.072 38.525 1.00 0.00 C ATOM 818 CD PRO A 53 37.710 55.824 38.293 1.00 0.00 C ATOM 0 HA PRO A 53 40.326 54.992 36.643 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.653 57.359 38.035 1.00 0.00 H new ATOM 0 HB3 PRO A 53 39.609 57.252 36.632 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.837 57.175 39.573 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.013 57.978 38.251 1.00 0.00 H new ATOM 0 HD2 PRO A 53 37.179 55.540 39.201 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.957 56.001 37.525 1.00 0.00 H new