USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 PHE N :NH3+ -171:sc= -1.07! (180deg=-2.01!) USER MOD Single : A 3 ASN : amide:sc= -0.0717 X(o=-0.072,f=-0.14) USER MOD Single : A 4 GLN : amide:sc= -1.05 X(o=-1,f=-0.64) USER MOD Single : A 5 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-1.8) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 96:sc= -3.53! USER MOD Single : A 27 THR OG1 : rot -60:sc= -0.26 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.18) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 54 ASN : amide:sc= -0.188 K(o=-0.19,f=-2!) USER MOD Single : A 55 TYR OH : rot 70:sc= -0.542 USER MOD Single : A 57 ASN : amide:sc= 0.00743 X(o=0.0074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.619 91.870 39.196 1.00 0.00 N ATOM 2 CA PHE A 1 120.235 91.030 40.264 1.00 0.00 C ATOM 3 C PHE A 1 119.447 91.195 41.578 1.00 0.00 C ATOM 4 O PHE A 1 119.459 90.337 42.436 1.00 0.00 O ATOM 5 CB PHE A 1 121.681 91.484 40.465 1.00 0.00 C ATOM 6 CG PHE A 1 121.784 92.963 40.172 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.564 93.448 38.875 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.093 93.850 41.204 1.00 0.00 C ATOM 9 CE1 PHE A 1 121.661 94.824 38.619 1.00 0.00 C ATOM 10 CE2 PHE A 1 122.188 95.222 40.946 1.00 0.00 C ATOM 11 CZ PHE A 1 121.973 95.706 39.653 1.00 0.00 C ATOM 0 H1 PHE A 1 120.055 91.642 38.280 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.598 91.679 39.150 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.774 92.875 39.412 1.00 0.00 H new ATOM 0 HA PHE A 1 120.212 89.980 39.973 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.000 91.281 41.487 1.00 0.00 H new ATOM 0 HB3 PHE A 1 122.345 90.924 39.807 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.321 92.764 38.075 1.00 0.00 H new ATOM 0 HD2 PHE A 1 122.259 93.477 42.204 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.494 95.200 37.621 1.00 0.00 H new ATOM 0 HE2 PHE A 1 122.427 95.907 41.746 1.00 0.00 H new ATOM 0 HZ PHE A 1 122.049 96.765 39.454 1.00 0.00 H new ATOM 23 N VAL A 2 118.786 92.313 41.729 1.00 0.00 N ATOM 24 CA VAL A 2 118.002 92.604 42.960 1.00 0.00 C ATOM 25 C VAL A 2 118.897 92.469 44.196 1.00 0.00 C ATOM 26 O VAL A 2 118.540 91.832 45.166 1.00 0.00 O ATOM 27 CB VAL A 2 116.834 91.619 43.063 1.00 0.00 C ATOM 28 CG1 VAL A 2 115.794 92.151 44.052 1.00 0.00 C ATOM 29 CG2 VAL A 2 116.186 91.456 41.686 1.00 0.00 C ATOM 0 H VAL A 2 118.758 93.055 41.029 1.00 0.00 H new ATOM 0 HA VAL A 2 117.619 93.623 42.908 1.00 0.00 H new ATOM 0 HB VAL A 2 117.205 90.655 43.413 1.00 0.00 H new ATOM 0 HG11 VAL A 2 114.965 91.447 44.122 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.253 92.270 45.034 1.00 0.00 H new ATOM 0 HG13 VAL A 2 115.423 93.116 43.706 1.00 0.00 H new ATOM 0 HG21 VAL A 2 115.354 90.755 41.756 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.819 92.422 41.340 1.00 0.00 H new ATOM 0 HG23 VAL A 2 116.923 91.074 40.980 1.00 0.00 H new ATOM 39 N ASN A 3 120.053 93.077 44.176 1.00 0.00 N ATOM 40 CA ASN A 3 120.954 92.996 45.355 1.00 0.00 C ATOM 41 C ASN A 3 121.257 91.528 45.694 1.00 0.00 C ATOM 42 O ASN A 3 122.210 90.964 45.193 1.00 0.00 O ATOM 43 CB ASN A 3 120.275 93.700 46.530 1.00 0.00 C ATOM 44 CG ASN A 3 119.682 95.026 46.048 1.00 0.00 C ATOM 45 OD1 ASN A 3 120.397 95.900 45.604 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.391 95.212 46.118 1.00 0.00 N ATOM 0 H ASN A 3 120.410 93.625 43.393 1.00 0.00 H new ATOM 0 HA ASN A 3 121.903 93.486 45.137 1.00 0.00 H new ATOM 0 HB2 ASN A 3 119.491 93.067 46.945 1.00 0.00 H new ATOM 0 HB3 ASN A 3 120.996 93.879 47.328 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.984 96.092 45.799 1.00 0.00 H new ATOM 0 HD22 ASN A 3 117.789 94.478 46.491 1.00 0.00 H new ATOM 53 N GLN A 4 120.458 90.916 46.533 1.00 0.00 N ATOM 54 CA GLN A 4 120.673 89.486 46.926 1.00 0.00 C ATOM 55 C GLN A 4 122.169 89.146 47.018 1.00 0.00 C ATOM 56 O GLN A 4 123.007 90.012 47.157 1.00 0.00 O ATOM 57 CB GLN A 4 119.964 88.554 45.928 1.00 0.00 C ATOM 58 CG GLN A 4 120.695 88.519 44.576 1.00 0.00 C ATOM 59 CD GLN A 4 119.935 87.601 43.618 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.402 86.528 43.287 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.775 87.978 43.154 1.00 0.00 N ATOM 0 H GLN A 4 119.649 91.356 46.972 1.00 0.00 H new ATOM 0 HA GLN A 4 120.243 89.338 47.917 1.00 0.00 H new ATOM 0 HB2 GLN A 4 119.913 87.547 46.342 1.00 0.00 H new ATOM 0 HB3 GLN A 4 118.938 88.890 45.780 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.762 89.524 44.159 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.716 88.160 44.710 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.383 88.878 43.431 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.261 87.373 42.514 1.00 0.00 H new ATOM 70 N HIS A 5 122.505 87.881 46.964 1.00 0.00 N ATOM 71 CA HIS A 5 123.940 87.477 47.064 1.00 0.00 C ATOM 72 C HIS A 5 124.554 87.412 45.664 1.00 0.00 C ATOM 73 O HIS A 5 124.064 86.717 44.795 1.00 0.00 O ATOM 74 CB HIS A 5 124.039 86.102 47.731 1.00 0.00 C ATOM 75 CG HIS A 5 123.398 85.066 46.846 1.00 0.00 C ATOM 76 ND1 HIS A 5 122.038 84.792 46.893 1.00 0.00 N ATOM 77 CD2 HIS A 5 123.918 84.230 45.890 1.00 0.00 C ATOM 78 CE1 HIS A 5 121.788 83.827 45.987 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.899 83.453 45.351 1.00 0.00 N ATOM 0 H HIS A 5 121.846 87.110 46.855 1.00 0.00 H new ATOM 0 HA HIS A 5 124.481 88.210 47.662 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.084 85.847 47.909 1.00 0.00 H new ATOM 0 HB3 HIS A 5 123.545 86.121 48.703 1.00 0.00 H new ATOM 0 HD2 HIS A 5 124.958 84.183 45.601 1.00 0.00 H new ATOM 0 HE1 HIS A 5 120.810 83.409 45.799 1.00 0.00 H new ATOM 0 HE2 HIS A 5 122.983 82.745 44.622 1.00 0.00 H new ATOM 88 N LEU A 6 125.621 88.139 45.442 1.00 0.00 N ATOM 89 CA LEU A 6 126.286 88.150 44.098 1.00 0.00 C ATOM 90 C LEU A 6 127.796 87.900 44.280 1.00 0.00 C ATOM 91 O LEU A 6 128.494 88.683 44.893 1.00 0.00 O ATOM 92 CB LEU A 6 126.031 89.537 43.446 1.00 0.00 C ATOM 93 CG LEU A 6 125.144 89.444 42.182 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.891 88.575 42.432 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.709 90.864 41.787 1.00 0.00 C ATOM 0 H LEU A 6 126.066 88.733 46.142 1.00 0.00 H new ATOM 0 HA LEU A 6 125.883 87.368 43.455 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.554 90.194 44.173 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.986 89.992 43.183 1.00 0.00 H new ATOM 0 HG LEU A 6 125.720 88.977 41.383 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.291 88.532 41.523 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.197 87.567 42.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.300 89.012 43.237 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.082 90.818 40.897 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.145 91.313 42.605 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.591 91.470 41.579 1.00 0.00 H new ATOM 107 N CYS A 7 128.295 86.808 43.743 1.00 0.00 N ATOM 108 CA CYS A 7 129.756 86.479 43.862 1.00 0.00 C ATOM 109 C CYS A 7 130.353 86.329 42.458 1.00 0.00 C ATOM 110 O CYS A 7 129.680 86.528 41.469 1.00 0.00 O ATOM 111 CB CYS A 7 129.922 85.157 44.617 1.00 0.00 C ATOM 112 SG CYS A 7 129.209 85.308 46.274 1.00 0.00 S ATOM 0 H CYS A 7 127.747 86.124 43.222 1.00 0.00 H new ATOM 0 HA CYS A 7 130.266 87.277 44.402 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.431 84.351 44.071 1.00 0.00 H new ATOM 0 HB3 CYS A 7 130.978 84.897 44.687 1.00 0.00 H new ATOM 117 N GLY A 8 131.613 85.979 42.362 1.00 0.00 N ATOM 118 CA GLY A 8 132.253 85.815 41.017 1.00 0.00 C ATOM 119 C GLY A 8 131.845 86.979 40.110 1.00 0.00 C ATOM 120 O GLY A 8 131.598 88.073 40.574 1.00 0.00 O ATOM 0 H GLY A 8 132.227 85.800 43.157 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.338 85.784 41.120 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.948 84.868 40.571 1.00 0.00 H new ATOM 124 N SER A 9 131.755 86.758 38.824 1.00 0.00 N ATOM 125 CA SER A 9 131.342 87.868 37.918 1.00 0.00 C ATOM 126 C SER A 9 129.817 88.000 37.960 1.00 0.00 C ATOM 127 O SER A 9 129.266 88.968 37.478 1.00 0.00 O ATOM 128 CB SER A 9 131.825 87.603 36.489 1.00 0.00 C ATOM 129 OG SER A 9 131.745 86.212 36.209 1.00 0.00 O ATOM 0 H SER A 9 131.947 85.867 38.367 1.00 0.00 H new ATOM 0 HA SER A 9 131.795 88.801 38.253 1.00 0.00 H new ATOM 0 HB2 SER A 9 131.216 88.163 35.779 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.852 87.949 36.371 1.00 0.00 H new ATOM 0 HG SER A 9 132.053 86.044 35.294 1.00 0.00 H new ATOM 135 N HIS A 10 129.116 87.068 38.576 1.00 0.00 N ATOM 136 CA HIS A 10 127.628 87.229 38.673 1.00 0.00 C ATOM 137 C HIS A 10 127.410 88.613 39.255 1.00 0.00 C ATOM 138 O HIS A 10 126.412 89.268 39.035 1.00 0.00 O ATOM 139 CB HIS A 10 127.020 86.181 39.613 1.00 0.00 C ATOM 140 CG HIS A 10 127.058 84.830 38.954 1.00 0.00 C ATOM 141 ND1 HIS A 10 127.983 83.858 39.310 1.00 0.00 N ATOM 142 CD2 HIS A 10 126.288 84.270 37.965 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.749 82.776 38.544 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.729 82.976 37.710 1.00 0.00 N ATOM 0 H HIS A 10 129.500 86.226 39.004 1.00 0.00 H new ATOM 0 HA HIS A 10 127.156 87.102 37.699 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.574 86.155 40.552 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.992 86.449 39.857 1.00 0.00 H new ATOM 0 HD2 HIS A 10 125.467 84.759 37.463 1.00 0.00 H new ATOM 0 HE1 HIS A 10 128.318 81.859 38.599 1.00 0.00 H new ATOM 0 HE2 HIS A 10 126.351 82.318 37.028 1.00 0.00 H new ATOM 153 N LEU A 11 128.410 89.063 39.959 1.00 0.00 N ATOM 154 CA LEU A 11 128.401 90.399 40.544 1.00 0.00 C ATOM 155 C LEU A 11 128.716 91.366 39.413 1.00 0.00 C ATOM 156 O LEU A 11 127.980 92.292 39.139 1.00 0.00 O ATOM 157 CB LEU A 11 129.493 90.432 41.603 1.00 0.00 C ATOM 158 CG LEU A 11 129.816 91.861 41.992 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.524 92.616 42.326 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.788 91.864 43.192 1.00 0.00 C ATOM 0 H LEU A 11 129.256 88.527 40.150 1.00 0.00 H new ATOM 0 HA LEU A 11 127.448 90.664 41.003 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.171 89.874 42.482 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.389 89.941 41.224 1.00 0.00 H new ATOM 0 HG LEU A 11 130.298 92.368 41.157 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.764 93.642 42.605 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.869 92.620 41.454 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.019 92.123 43.157 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.019 92.892 43.470 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.324 91.355 44.037 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.707 91.347 42.917 1.00 0.00 H new ATOM 172 N VAL A 12 129.806 91.126 38.732 1.00 0.00 N ATOM 173 CA VAL A 12 130.182 91.995 37.588 1.00 0.00 C ATOM 174 C VAL A 12 128.975 92.210 36.728 1.00 0.00 C ATOM 175 O VAL A 12 128.743 93.284 36.222 1.00 0.00 O ATOM 176 CB VAL A 12 131.230 91.298 36.726 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.227 91.902 35.304 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.592 91.464 37.375 1.00 0.00 C ATOM 0 H VAL A 12 130.452 90.361 38.923 1.00 0.00 H new ATOM 0 HA VAL A 12 130.572 92.937 37.975 1.00 0.00 H new ATOM 0 HB VAL A 12 130.999 90.236 36.646 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.978 91.400 34.694 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.244 91.767 34.854 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.458 92.966 35.360 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.348 90.969 36.766 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.829 92.525 37.457 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.578 91.018 38.369 1.00 0.00 H new ATOM 188 N GLU A 13 128.234 91.175 36.503 1.00 0.00 N ATOM 189 CA GLU A 13 127.078 91.311 35.627 1.00 0.00 C ATOM 190 C GLU A 13 126.313 92.548 36.027 1.00 0.00 C ATOM 191 O GLU A 13 126.169 93.473 35.268 1.00 0.00 O ATOM 192 CB GLU A 13 126.173 90.111 35.754 1.00 0.00 C ATOM 193 CG GLU A 13 125.287 90.023 34.516 1.00 0.00 C ATOM 194 CD GLU A 13 124.178 88.995 34.744 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.066 89.407 35.037 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.457 87.813 34.621 1.00 0.00 O1- ATOM 0 H GLU A 13 128.387 90.245 36.892 1.00 0.00 H new ATOM 0 HA GLU A 13 127.419 91.386 34.594 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.766 89.202 35.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.559 90.196 36.651 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.852 90.999 34.299 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.885 89.741 33.649 1.00 0.00 H new ATOM 203 N ALA A 14 125.874 92.572 37.256 1.00 0.00 N ATOM 204 CA ALA A 14 125.142 93.749 37.769 1.00 0.00 C ATOM 205 C ALA A 14 125.898 94.988 37.338 1.00 0.00 C ATOM 206 O ALA A 14 125.400 95.781 36.574 1.00 0.00 O ATOM 207 CB ALA A 14 125.106 93.674 39.297 1.00 0.00 C ATOM 0 H ALA A 14 125.996 91.815 37.928 1.00 0.00 H new ATOM 0 HA ALA A 14 124.123 93.777 37.384 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.569 94.537 39.691 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.599 92.759 39.605 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.124 93.673 39.685 1.00 0.00 H new ATOM 213 N LEU A 15 127.119 95.128 37.771 1.00 0.00 N ATOM 214 CA LEU A 15 127.921 96.299 37.345 1.00 0.00 C ATOM 215 C LEU A 15 127.769 96.478 35.835 1.00 0.00 C ATOM 216 O LEU A 15 127.479 97.543 35.356 1.00 0.00 O ATOM 217 CB LEU A 15 129.385 96.057 37.682 1.00 0.00 C ATOM 218 CG LEU A 15 129.550 96.080 39.212 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.658 95.115 39.644 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.887 97.512 39.673 1.00 0.00 C ATOM 0 H LEU A 15 127.593 94.481 38.401 1.00 0.00 H new ATOM 0 HA LEU A 15 127.575 97.195 37.861 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.711 95.097 37.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.010 96.823 37.223 1.00 0.00 H new ATOM 0 HG LEU A 15 128.615 95.762 39.674 1.00 0.00 H new ATOM 0 HD11 LEU A 15 130.762 95.143 40.729 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.402 94.103 39.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.599 95.411 39.181 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.004 97.527 40.757 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.816 97.836 39.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.080 98.186 39.385 1.00 0.00 H new ATOM 232 N TYR A 16 127.927 95.420 35.077 1.00 0.00 N ATOM 233 CA TYR A 16 127.752 95.539 33.603 1.00 0.00 C ATOM 234 C TYR A 16 126.400 96.222 33.364 1.00 0.00 C ATOM 235 O TYR A 16 126.286 97.163 32.607 1.00 0.00 O ATOM 236 CB TYR A 16 127.834 94.116 32.955 1.00 0.00 C ATOM 237 CG TYR A 16 126.708 93.796 31.979 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.346 94.711 31.010 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.065 92.559 32.031 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.341 94.413 30.092 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.050 92.249 31.118 1.00 0.00 C ATOM 242 CZ TYR A 16 124.686 93.181 30.144 1.00 0.00 C ATOM 243 OH TYR A 16 123.690 92.883 29.235 1.00 0.00 O ATOM 0 H TYR A 16 128.168 94.488 35.415 1.00 0.00 H new ATOM 0 HA TYR A 16 128.536 96.138 33.140 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.786 94.023 32.433 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.832 93.369 33.749 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.847 95.667 30.963 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.352 91.836 32.780 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.068 95.137 29.338 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.550 91.293 31.167 1.00 0.00 H new ATOM 0 HH TYR A 16 123.342 91.984 29.414 1.00 0.00 H new ATOM 253 N LEU A 17 125.379 95.754 34.011 1.00 0.00 N ATOM 254 CA LEU A 17 124.033 96.363 33.823 1.00 0.00 C ATOM 255 C LEU A 17 124.068 97.847 34.154 1.00 0.00 C ATOM 256 O LEU A 17 123.809 98.698 33.326 1.00 0.00 O ATOM 257 CB LEU A 17 123.045 95.702 34.777 1.00 0.00 C ATOM 258 CG LEU A 17 123.211 94.199 34.721 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.145 93.522 35.581 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.113 93.684 33.296 1.00 0.00 C ATOM 0 H LEU A 17 125.414 94.973 34.666 1.00 0.00 H new ATOM 0 HA LEU A 17 123.735 96.220 32.784 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.212 96.059 35.793 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.025 95.975 34.507 1.00 0.00 H new ATOM 0 HG LEU A 17 124.202 93.959 35.106 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.273 92.441 35.534 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.245 93.855 36.614 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.155 93.787 35.209 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.237 92.601 33.291 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.137 93.940 32.883 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.895 94.141 32.689 1.00 0.00 H new ATOM 272 N VAL A 18 124.348 98.150 35.384 1.00 0.00 N ATOM 273 CA VAL A 18 124.365 99.555 35.831 1.00 0.00 C ATOM 274 C VAL A 18 125.490 100.326 35.105 1.00 0.00 C ATOM 275 O VAL A 18 125.281 101.412 34.601 1.00 0.00 O ATOM 276 CB VAL A 18 124.498 99.588 37.390 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.509 98.165 37.968 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.772 100.318 37.830 1.00 0.00 C ATOM 0 H VAL A 18 124.569 97.468 36.109 1.00 0.00 H new ATOM 0 HA VAL A 18 123.433 100.058 35.572 1.00 0.00 H new ATOM 0 HB VAL A 18 123.633 100.129 37.772 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.602 98.214 39.053 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.580 97.659 37.706 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.353 97.611 37.556 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.832 100.322 38.918 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.644 99.808 37.421 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.748 101.345 37.464 1.00 0.00 H new ATOM 288 N CYS A 19 126.675 99.781 35.056 1.00 0.00 N ATOM 289 CA CYS A 19 127.801 100.488 34.371 1.00 0.00 C ATOM 290 C CYS A 19 127.600 100.433 32.853 1.00 0.00 C ATOM 291 O CYS A 19 128.138 101.240 32.124 1.00 0.00 O ATOM 292 CB CYS A 19 129.140 99.832 34.757 1.00 0.00 C ATOM 293 SG CYS A 19 129.336 99.885 36.557 1.00 0.00 S ATOM 0 H CYS A 19 126.915 98.876 35.460 1.00 0.00 H new ATOM 0 HA CYS A 19 127.817 101.531 34.686 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.167 98.800 34.407 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.966 100.354 34.274 1.00 0.00 H new ATOM 298 N GLY A 20 126.817 99.504 32.373 1.00 0.00 N ATOM 299 CA GLY A 20 126.569 99.412 30.900 1.00 0.00 C ATOM 300 C GLY A 20 127.872 99.617 30.122 1.00 0.00 C ATOM 301 O GLY A 20 128.855 98.941 30.347 1.00 0.00 O ATOM 0 H GLY A 20 126.337 98.803 32.936 1.00 0.00 H new ATOM 0 HA2 GLY A 20 126.143 98.438 30.657 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.838 100.163 30.601 1.00 0.00 H new ATOM 305 N GLU A 21 127.879 100.547 29.204 1.00 0.00 N ATOM 306 CA GLU A 21 129.108 100.802 28.399 1.00 0.00 C ATOM 307 C GLU A 21 130.055 101.731 29.165 1.00 0.00 C ATOM 308 O GLU A 21 131.215 101.856 28.826 1.00 0.00 O ATOM 309 CB GLU A 21 128.717 101.458 27.074 1.00 0.00 C ATOM 310 CG GLU A 21 127.577 100.667 26.429 1.00 0.00 C ATOM 311 CD GLU A 21 127.389 101.132 24.985 1.00 0.00 C ATOM 312 OE1 GLU A 21 126.988 102.270 24.796 1.00 0.00 O ATOM 313 OE2 GLU A 21 127.648 100.344 24.090 1.00 0.00 O1- ATOM 0 H GLU A 21 127.083 101.143 28.977 1.00 0.00 H new ATOM 0 HA GLU A 21 129.614 99.855 28.209 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.407 102.489 27.244 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.576 101.489 26.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.801 99.600 26.453 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.655 100.812 26.992 1.00 0.00 H new ATOM 320 N ARG A 22 129.576 102.388 30.189 1.00 0.00 N ATOM 321 CA ARG A 22 130.461 103.310 30.964 1.00 0.00 C ATOM 322 C ARG A 22 131.789 102.610 31.265 1.00 0.00 C ATOM 323 O ARG A 22 132.823 103.239 31.375 1.00 0.00 O ATOM 324 CB ARG A 22 129.774 103.703 32.273 1.00 0.00 C ATOM 325 CG ARG A 22 128.395 104.290 31.967 1.00 0.00 C ATOM 326 CD ARG A 22 127.813 104.922 33.232 1.00 0.00 C ATOM 327 NE ARG A 22 126.569 105.668 32.886 1.00 0.00 N ATOM 328 CZ ARG A 22 125.746 106.038 33.828 1.00 0.00 C ATOM 329 NH1 ARG A 22 124.659 106.694 33.525 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 126.008 105.752 35.075 1.00 0.00 N ATOM 0 H ARG A 22 128.614 102.327 30.522 1.00 0.00 H new ATOM 0 HA ARG A 22 130.652 104.208 30.377 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.675 102.832 32.920 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.381 104.432 32.810 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.474 105.038 31.178 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.730 103.509 31.600 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.594 104.150 33.970 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.541 105.596 33.683 1.00 0.00 H new ATOM 0 HE ARG A 22 126.362 105.889 31.912 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.453 106.917 32.551 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.016 106.983 34.262 1.00 0.00 H new ATOM 0 HH21 ARG A 22 126.857 105.239 35.313 1.00 0.00 H new ATOM 0 HH22 ARG A 22 125.364 106.042 35.811 1.00 0.00 H new ATOM 344 N GLY A 23 131.771 101.308 31.379 1.00 0.00 N ATOM 345 CA GLY A 23 133.035 100.559 31.651 1.00 0.00 C ATOM 346 C GLY A 23 133.233 100.362 33.150 1.00 0.00 C ATOM 347 O GLY A 23 133.203 101.290 33.932 1.00 0.00 O ATOM 0 H GLY A 23 130.935 100.730 31.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.004 99.590 31.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.883 101.104 31.236 1.00 0.00 H new ATOM 351 N PHE A 24 133.451 99.138 33.535 1.00 0.00 N ATOM 352 CA PHE A 24 133.678 98.791 34.958 1.00 0.00 C ATOM 353 C PHE A 24 134.915 97.870 34.970 1.00 0.00 C ATOM 354 O PHE A 24 135.437 97.557 33.919 1.00 0.00 O ATOM 355 CB PHE A 24 132.414 98.085 35.468 1.00 0.00 C ATOM 356 CG PHE A 24 132.243 96.788 34.721 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.997 95.711 35.103 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.340 96.665 33.664 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.878 94.488 34.446 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.217 95.434 33.001 1.00 0.00 C ATOM 361 CZ PHE A 24 131.987 94.350 33.394 1.00 0.00 C ATOM 0 H PHE A 24 133.482 98.341 32.900 1.00 0.00 H new ATOM 0 HA PHE A 24 133.860 99.649 35.605 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.494 97.895 36.538 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.542 98.722 35.322 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.692 95.811 35.923 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.741 97.510 33.359 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.481 93.647 34.757 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.520 95.331 32.182 1.00 0.00 H new ATOM 0 HZ PHE A 24 131.893 93.403 32.883 1.00 0.00 H new ATOM 371 N PHE A 25 135.427 97.439 36.104 1.00 0.00 N ATOM 372 CA PHE A 25 136.654 96.561 36.046 1.00 0.00 C ATOM 373 C PHE A 25 136.776 95.639 37.268 1.00 0.00 C ATOM 374 O PHE A 25 136.781 96.079 38.400 1.00 0.00 O ATOM 375 CB PHE A 25 137.897 97.452 35.967 1.00 0.00 C ATOM 376 CG PHE A 25 139.091 96.625 35.590 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.566 96.659 34.282 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.727 95.828 36.548 1.00 0.00 C ATOM 379 CE1 PHE A 25 140.674 95.902 33.924 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.840 95.065 36.190 1.00 0.00 C ATOM 381 CZ PHE A 25 141.316 95.101 34.876 1.00 0.00 C ATOM 0 H PHE A 25 135.068 97.645 37.036 1.00 0.00 H new ATOM 0 HA PHE A 25 136.566 95.927 35.164 1.00 0.00 H new ATOM 0 HB2 PHE A 25 137.743 98.242 35.232 1.00 0.00 H new ATOM 0 HB3 PHE A 25 138.069 97.939 36.927 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.072 97.275 33.545 1.00 0.00 H new ATOM 0 HD2 PHE A 25 139.358 95.803 37.563 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.041 95.931 32.909 1.00 0.00 H new ATOM 0 HE2 PHE A 25 141.332 94.448 36.927 1.00 0.00 H new ATOM 0 HZ PHE A 25 142.177 94.512 34.596 1.00 0.00 H new ATOM 391 N TYR A 26 136.903 94.350 37.027 1.00 0.00 N ATOM 392 CA TYR A 26 137.060 93.355 38.142 1.00 0.00 C ATOM 393 C TYR A 26 138.070 92.293 37.693 1.00 0.00 C ATOM 394 O TYR A 26 138.595 92.352 36.600 1.00 0.00 O ATOM 395 CB TYR A 26 135.704 92.682 38.458 1.00 0.00 C ATOM 396 CG TYR A 26 134.930 93.548 39.411 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.799 93.202 40.765 1.00 0.00 C ATOM 398 CD2 TYR A 26 134.353 94.715 38.938 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.103 94.023 41.620 1.00 0.00 C ATOM 400 CE2 TYR A 26 133.651 95.537 39.799 1.00 0.00 C ATOM 401 CZ TYR A 26 133.527 95.195 41.142 1.00 0.00 C ATOM 402 OH TYR A 26 132.829 96.018 41.988 1.00 0.00 O ATOM 0 H TYR A 26 136.904 93.941 36.092 1.00 0.00 H new ATOM 0 HA TYR A 26 137.410 93.860 39.042 1.00 0.00 H new ATOM 0 HB2 TYR A 26 135.136 92.534 37.540 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.867 91.697 38.894 1.00 0.00 H new ATOM 0 HD1 TYR A 26 135.245 92.291 41.135 1.00 0.00 H new ATOM 0 HD2 TYR A 26 134.452 94.983 37.896 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.004 93.758 42.662 1.00 0.00 H new ATOM 0 HE2 TYR A 26 133.198 96.445 39.429 1.00 0.00 H new ATOM 0 HH TYR A 26 133.418 96.733 42.309 1.00 0.00 H new ATOM 412 N THR A 27 138.352 91.324 38.524 1.00 0.00 N ATOM 413 CA THR A 27 139.334 90.270 38.132 1.00 0.00 C ATOM 414 C THR A 27 139.010 88.964 38.869 1.00 0.00 C ATOM 415 O THR A 27 138.169 88.925 39.744 1.00 0.00 O ATOM 416 CB THR A 27 140.753 90.744 38.496 1.00 0.00 C ATOM 417 OG1 THR A 27 140.834 92.150 38.313 1.00 0.00 O ATOM 418 CG2 THR A 27 141.789 90.055 37.603 1.00 0.00 C ATOM 0 H THR A 27 137.947 91.217 39.454 1.00 0.00 H new ATOM 0 HA THR A 27 139.276 90.092 37.058 1.00 0.00 H new ATOM 0 HB THR A 27 140.959 90.489 39.536 1.00 0.00 H new ATOM 0 HG1 THR A 27 140.650 92.369 37.376 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.788 90.400 37.872 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.728 88.976 37.741 1.00 0.00 H new ATOM 0 HG23 THR A 27 141.590 90.299 36.560 1.00 0.00 H new ATOM 426 N ASP A 28 139.675 87.899 38.515 1.00 0.00 N ATOM 427 CA ASP A 28 139.423 86.594 39.177 1.00 0.00 C ATOM 428 C ASP A 28 140.054 86.615 40.581 1.00 0.00 C ATOM 429 O ASP A 28 140.878 87.456 40.882 1.00 0.00 O ATOM 430 CB ASP A 28 140.057 85.484 38.302 1.00 0.00 C ATOM 431 CG ASP A 28 138.968 84.632 37.630 1.00 0.00 C ATOM 432 OD1 ASP A 28 139.083 83.418 37.673 1.00 0.00 O ATOM 433 OD2 ASP A 28 138.040 85.210 37.091 1.00 0.00 O1- ATOM 0 H ASP A 28 140.389 87.880 37.787 1.00 0.00 H new ATOM 0 HA ASP A 28 138.355 86.404 39.284 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.695 85.934 37.541 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.694 84.849 38.917 1.00 0.00 H new ATOM 438 N PRO A 29 139.682 85.703 41.392 1.00 0.00 N ATOM 439 CA PRO A 29 140.199 85.574 42.790 1.00 0.00 C ATOM 440 C PRO A 29 141.723 85.517 42.821 1.00 0.00 C ATOM 441 O PRO A 29 142.375 85.990 43.744 1.00 0.00 O ATOM 442 CB PRO A 29 139.637 84.219 43.232 1.00 0.00 C ATOM 443 CG PRO A 29 139.237 83.536 41.964 1.00 0.00 C ATOM 444 CD PRO A 29 138.732 84.651 41.073 1.00 0.00 C ATOM 0 HA PRO A 29 139.910 86.415 43.420 1.00 0.00 H new ATOM 0 HB2 PRO A 29 140.384 83.639 43.774 1.00 0.00 H new ATOM 0 HB3 PRO A 29 138.784 84.344 43.899 1.00 0.00 H new ATOM 0 HG2 PRO A 29 140.081 83.017 41.510 1.00 0.00 H new ATOM 0 HG3 PRO A 29 138.463 82.790 42.143 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.755 84.379 40.018 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.706 84.935 41.307 1.00 0.00 H new ATOM 452 N THR A 30 142.267 84.900 41.809 1.00 0.00 N ATOM 453 CA THR A 30 143.731 84.725 41.695 1.00 0.00 C ATOM 454 C THR A 30 144.308 85.717 40.701 1.00 0.00 C ATOM 455 O THR A 30 145.416 86.191 40.869 1.00 0.00 O ATOM 456 CB THR A 30 144.008 83.326 41.187 1.00 0.00 C ATOM 457 OG1 THR A 30 145.406 83.101 41.229 1.00 0.00 O ATOM 458 CG2 THR A 30 143.479 83.184 39.747 1.00 0.00 C ATOM 0 H THR A 30 141.735 84.500 41.036 1.00 0.00 H new ATOM 0 HA THR A 30 144.187 84.888 42.671 1.00 0.00 H new ATOM 0 HB THR A 30 143.503 82.588 41.811 1.00 0.00 H new ATOM 0 HG1 THR A 30 145.602 82.197 40.904 1.00 0.00 H new ATOM 0 HG21 THR A 30 143.680 82.176 39.383 1.00 0.00 H new ATOM 0 HG22 THR A 30 142.405 83.367 39.734 1.00 0.00 H new ATOM 0 HG23 THR A 30 143.978 83.908 39.103 1.00 0.00 H new ATOM 466 N GLU A 31 143.576 86.040 39.668 1.00 0.00 N ATOM 467 CA GLU A 31 144.105 87.018 38.691 1.00 0.00 C ATOM 468 C GLU A 31 144.290 88.315 39.471 1.00 0.00 C ATOM 469 O GLU A 31 144.557 89.380 38.929 1.00 0.00 O ATOM 470 CB GLU A 31 143.110 87.161 37.531 1.00 0.00 C ATOM 471 CG GLU A 31 143.252 85.939 36.620 1.00 0.00 C ATOM 472 CD GLU A 31 144.728 85.789 36.272 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.333 84.832 36.723 1.00 0.00 O ATOM 474 OE2 GLU A 31 145.239 86.660 35.589 1.00 0.00 O1- ATOM 0 H GLU A 31 142.647 85.671 39.465 1.00 0.00 H new ATOM 0 HA GLU A 31 145.052 86.715 38.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 142.091 87.234 37.912 1.00 0.00 H new ATOM 0 HB3 GLU A 31 143.308 88.076 36.972 1.00 0.00 H new ATOM 0 HG2 GLU A 31 142.884 85.044 37.121 1.00 0.00 H new ATOM 0 HG3 GLU A 31 142.657 86.065 35.716 1.00 0.00 H new ATOM 481 N GLU A 32 144.150 88.160 40.778 1.00 0.00 N ATOM 482 CA GLU A 32 144.287 89.260 41.771 1.00 0.00 C ATOM 483 C GLU A 32 142.912 89.638 42.313 1.00 0.00 C ATOM 484 O GLU A 32 142.016 90.008 41.574 1.00 0.00 O ATOM 485 CB GLU A 32 144.926 90.505 41.178 1.00 0.00 C ATOM 486 CG GLU A 32 144.921 91.588 42.259 1.00 0.00 C ATOM 487 CD GLU A 32 146.350 91.861 42.735 1.00 0.00 C ATOM 488 OE1 GLU A 32 146.760 91.231 43.697 1.00 0.00 O ATOM 489 OE2 GLU A 32 147.009 92.693 42.136 1.00 0.00 O1- ATOM 0 H GLU A 32 143.934 87.259 41.205 1.00 0.00 H new ATOM 0 HA GLU A 32 144.935 88.889 42.565 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.945 90.294 40.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 144.373 90.838 40.300 1.00 0.00 H new ATOM 0 HG2 GLU A 32 144.479 92.503 41.866 1.00 0.00 H new ATOM 0 HG3 GLU A 32 144.303 91.271 43.099 1.00 0.00 H new ATOM 496 N GLY A 33 142.744 89.579 43.604 1.00 0.00 N ATOM 497 CA GLY A 33 141.440 89.973 44.178 1.00 0.00 C ATOM 498 C GLY A 33 141.054 91.313 43.550 1.00 0.00 C ATOM 499 O GLY A 33 141.892 92.053 43.068 1.00 0.00 O ATOM 0 H GLY A 33 143.449 89.277 44.277 1.00 0.00 H new ATOM 0 HA2 GLY A 33 140.683 89.217 43.967 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.508 90.062 45.262 1.00 0.00 H new ATOM 503 N PRO A 34 139.801 91.610 43.534 1.00 0.00 N ATOM 504 CA PRO A 34 139.269 92.853 42.940 1.00 0.00 C ATOM 505 C PRO A 34 139.098 93.944 43.985 1.00 0.00 C ATOM 506 O PRO A 34 139.841 94.015 44.939 1.00 0.00 O ATOM 507 CB PRO A 34 137.921 92.385 42.433 1.00 0.00 C ATOM 508 CG PRO A 34 137.463 91.399 43.459 1.00 0.00 C ATOM 509 CD PRO A 34 138.720 90.794 44.083 1.00 0.00 C ATOM 0 HA PRO A 34 139.916 93.290 42.179 1.00 0.00 H new ATOM 0 HB2 PRO A 34 137.221 93.215 42.339 1.00 0.00 H new ATOM 0 HB3 PRO A 34 138.004 91.925 41.448 1.00 0.00 H new ATOM 0 HG2 PRO A 34 136.851 91.887 44.218 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.847 90.624 43.003 1.00 0.00 H new ATOM 0 HD2 PRO A 34 138.692 90.845 45.171 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.835 89.744 43.816 1.00 0.00 H new ATOM 517 N ARG A 35 138.125 94.790 43.844 1.00 0.00 N ATOM 518 CA ARG A 35 137.952 95.840 44.877 1.00 0.00 C ATOM 519 C ARG A 35 137.635 95.178 46.207 1.00 0.00 C ATOM 520 O ARG A 35 136.483 95.063 46.584 1.00 0.00 O ATOM 521 CB ARG A 35 136.791 96.763 44.522 1.00 0.00 C ATOM 522 CG ARG A 35 136.988 98.104 45.229 1.00 0.00 C ATOM 523 CD ARG A 35 135.666 98.878 45.233 1.00 0.00 C ATOM 524 NE ARG A 35 135.455 99.492 46.568 1.00 0.00 N ATOM 525 CZ ARG A 35 136.409 100.180 47.112 1.00 0.00 C ATOM 526 NH1 ARG A 35 136.241 100.720 48.285 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 137.529 100.337 46.471 1.00 0.00 N ATOM 0 H ARG A 35 137.454 94.803 43.076 1.00 0.00 H new ATOM 0 HA ARG A 35 138.872 96.421 44.935 1.00 0.00 H new ATOM 0 HB2 ARG A 35 136.743 96.910 43.443 1.00 0.00 H new ATOM 0 HB3 ARG A 35 135.846 96.313 44.825 1.00 0.00 H new ATOM 0 HG2 ARG A 35 137.330 97.942 46.251 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.760 98.684 44.723 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.682 99.651 44.464 1.00 0.00 H new ATOM 0 HD3 ARG A 35 134.840 98.208 44.994 1.00 0.00 H new ATOM 0 HE ARG A 35 134.566 99.373 47.053 1.00 0.00 H new ATOM 0 HH11 ARG A 35 135.356 100.602 48.779 1.00 0.00 H new ATOM 0 HH12 ARG A 35 136.994 101.261 48.710 1.00 0.00 H new ATOM 0 HH21 ARG A 35 137.651 99.920 45.548 1.00 0.00 H new ATOM 0 HH22 ARG A 35 138.286 100.877 46.891 1.00 0.00 H new ATOM 541 N ARG A 36 138.612 94.742 46.953 1.00 0.00 N ATOM 542 CA ARG A 36 138.233 94.132 48.241 1.00 0.00 C ATOM 543 C ARG A 36 137.244 95.088 48.859 1.00 0.00 C ATOM 544 O ARG A 36 137.571 96.199 49.230 1.00 0.00 O ATOM 545 CB ARG A 36 139.425 93.918 49.152 1.00 0.00 C ATOM 546 CG ARG A 36 139.183 92.627 49.932 1.00 0.00 C ATOM 547 CD ARG A 36 138.873 91.493 48.950 1.00 0.00 C ATOM 548 NE ARG A 36 139.577 90.278 49.402 1.00 0.00 N ATOM 549 CZ ARG A 36 140.873 90.254 49.358 1.00 0.00 C ATOM 550 NH1 ARG A 36 141.518 89.216 49.809 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 141.526 91.273 48.859 1.00 0.00 N ATOM 0 H ARG A 36 139.608 94.780 46.736 1.00 0.00 H new ATOM 0 HA ARG A 36 137.808 93.139 48.090 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.344 93.847 48.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.543 94.761 49.833 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.062 92.378 50.527 1.00 0.00 H new ATOM 0 HG3 ARG A 36 138.354 92.758 50.627 1.00 0.00 H new ATOM 0 HD2 ARG A 36 137.799 91.314 48.905 1.00 0.00 H new ATOM 0 HD3 ARG A 36 139.193 91.765 47.944 1.00 0.00 H new ATOM 0 HE ARG A 36 139.054 89.471 49.743 1.00 0.00 H new ATOM 0 HH11 ARG A 36 141.004 88.424 50.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 142.537 89.195 49.775 1.00 0.00 H new ATOM 0 HH21 ARG A 36 141.016 92.083 48.506 1.00 0.00 H new ATOM 0 HH22 ARG A 36 142.545 91.257 48.823 1.00 0.00 H new ATOM 565 N GLY A 37 136.031 94.658 48.920 1.00 0.00 N ATOM 566 CA GLY A 37 134.932 95.521 49.435 1.00 0.00 C ATOM 567 C GLY A 37 133.602 94.996 48.903 1.00 0.00 C ATOM 568 O GLY A 37 132.958 94.161 49.505 1.00 0.00 O ATOM 0 H GLY A 37 135.738 93.725 48.630 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.930 95.518 50.525 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.083 96.553 49.119 1.00 0.00 H new ATOM 572 N ILE A 38 133.200 95.480 47.767 1.00 0.00 N ATOM 573 CA ILE A 38 131.924 95.026 47.153 1.00 0.00 C ATOM 574 C ILE A 38 131.841 93.504 47.189 1.00 0.00 C ATOM 575 O ILE A 38 130.805 92.924 47.416 1.00 0.00 O ATOM 576 CB ILE A 38 131.918 95.481 45.696 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.538 95.252 45.080 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.978 94.697 44.894 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.596 95.570 43.583 1.00 0.00 C ATOM 0 H ILE A 38 133.708 96.182 47.228 1.00 0.00 H new ATOM 0 HA ILE A 38 131.079 95.443 47.700 1.00 0.00 H new ATOM 0 HB ILE A 38 132.154 96.545 45.661 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.225 94.219 45.233 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.798 95.885 45.570 1.00 0.00 H new ATOM 0 HG21 ILE A 38 132.967 95.028 43.856 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.964 94.877 45.322 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.753 93.631 44.938 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.614 95.408 43.138 1.00 0.00 H new ATOM 0 HD12 ILE A 38 130.891 96.610 43.443 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.324 94.918 43.101 1.00 0.00 H new ATOM 591 N VAL A 39 132.927 92.859 46.931 1.00 0.00 N ATOM 592 CA VAL A 39 132.939 91.391 46.902 1.00 0.00 C ATOM 593 C VAL A 39 132.750 90.832 48.309 1.00 0.00 C ATOM 594 O VAL A 39 131.800 90.131 48.585 1.00 0.00 O ATOM 595 CB VAL A 39 134.296 90.990 46.345 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.528 89.500 46.543 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.356 91.346 44.856 1.00 0.00 C ATOM 0 H VAL A 39 133.826 93.299 46.735 1.00 0.00 H new ATOM 0 HA VAL A 39 132.129 90.997 46.289 1.00 0.00 H new ATOM 0 HB VAL A 39 135.079 91.531 46.876 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.503 89.227 46.140 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.497 89.265 47.607 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.751 88.939 46.024 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.327 91.060 44.452 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.570 90.812 44.322 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.213 92.420 44.733 1.00 0.00 H new ATOM 607 N GLU A 40 133.643 91.130 49.198 1.00 0.00 N ATOM 608 CA GLU A 40 133.509 90.602 50.579 1.00 0.00 C ATOM 609 C GLU A 40 132.226 91.143 51.217 1.00 0.00 C ATOM 610 O GLU A 40 131.727 90.597 52.180 1.00 0.00 O ATOM 611 CB GLU A 40 134.719 91.031 51.400 1.00 0.00 C ATOM 612 CG GLU A 40 136.001 90.605 50.680 1.00 0.00 C ATOM 613 CD GLU A 40 137.183 90.708 51.645 1.00 0.00 C ATOM 614 OE1 GLU A 40 138.019 89.818 51.624 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.233 91.673 52.390 1.00 0.00 O1- ATOM 0 H GLU A 40 134.461 91.716 49.032 1.00 0.00 H new ATOM 0 HA GLU A 40 133.458 89.514 50.551 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.711 92.112 51.542 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.678 90.579 52.391 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.904 89.583 50.315 1.00 0.00 H new ATOM 0 HG3 GLU A 40 136.171 91.240 49.810 1.00 0.00 H new ATOM 622 N GLN A 41 131.686 92.211 50.692 1.00 0.00 N ATOM 623 CA GLN A 41 130.432 92.785 51.271 1.00 0.00 C ATOM 624 C GLN A 41 129.210 92.237 50.527 1.00 0.00 C ATOM 625 O GLN A 41 128.186 91.959 51.117 1.00 0.00 O ATOM 626 CB GLN A 41 130.462 94.308 51.137 1.00 0.00 C ATOM 627 CG GLN A 41 129.364 94.917 52.010 1.00 0.00 C ATOM 628 CD GLN A 41 129.763 94.802 53.481 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.945 94.487 54.322 1.00 0.00 O ATOM 630 NE2 GLN A 41 130.996 95.047 53.830 1.00 0.00 N ATOM 0 H GLN A 41 132.059 92.713 49.886 1.00 0.00 H new ATOM 0 HA GLN A 41 130.366 92.506 52.323 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.437 94.691 51.439 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.315 94.595 50.096 1.00 0.00 H new ATOM 0 HG2 GLN A 41 129.211 95.963 51.744 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.419 94.402 51.837 1.00 0.00 H new ATOM 0 HE21 GLN A 41 131.683 95.311 53.124 1.00 0.00 H new ATOM 0 HE22 GLN A 41 131.273 94.974 54.809 1.00 0.00 H new ATOM 639 N CYS A 42 129.299 92.095 49.232 1.00 0.00 N ATOM 640 CA CYS A 42 128.134 91.582 48.446 1.00 0.00 C ATOM 641 C CYS A 42 128.169 90.053 48.378 1.00 0.00 C ATOM 642 O CYS A 42 127.149 89.401 48.475 1.00 0.00 O ATOM 643 CB CYS A 42 128.185 92.158 47.029 1.00 0.00 C ATOM 644 SG CYS A 42 128.390 93.956 47.115 1.00 0.00 S ATOM 0 H CYS A 42 130.129 92.312 48.681 1.00 0.00 H new ATOM 0 HA CYS A 42 127.211 91.891 48.938 1.00 0.00 H new ATOM 0 HB2 CYS A 42 129.011 91.713 46.474 1.00 0.00 H new ATOM 0 HB3 CYS A 42 127.270 91.911 46.491 1.00 0.00 H new ATOM 649 N CYS A 43 129.321 89.468 48.202 1.00 0.00 N ATOM 650 CA CYS A 43 129.380 87.982 48.122 1.00 0.00 C ATOM 651 C CYS A 43 129.108 87.383 49.506 1.00 0.00 C ATOM 652 O CYS A 43 128.645 86.267 49.624 1.00 0.00 O ATOM 653 CB CYS A 43 130.758 87.538 47.619 1.00 0.00 C ATOM 654 SG CYS A 43 130.789 85.734 47.460 1.00 0.00 S ATOM 0 H CYS A 43 130.216 89.949 48.111 1.00 0.00 H new ATOM 0 HA CYS A 43 128.622 87.629 47.423 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.973 88.002 46.657 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.533 87.866 48.312 1.00 0.00 H new ATOM 659 N HIS A 44 129.384 88.121 50.554 1.00 0.00 N ATOM 660 CA HIS A 44 129.134 87.604 51.939 1.00 0.00 C ATOM 661 C HIS A 44 127.859 88.245 52.493 1.00 0.00 C ATOM 662 O HIS A 44 127.196 87.691 53.347 1.00 0.00 O ATOM 663 CB HIS A 44 130.319 87.970 52.841 1.00 0.00 C ATOM 664 CG HIS A 44 130.262 87.159 54.107 1.00 0.00 C ATOM 665 ND1 HIS A 44 130.872 85.917 54.220 1.00 0.00 N ATOM 666 CD2 HIS A 44 129.675 87.400 55.325 1.00 0.00 C ATOM 667 CE1 HIS A 44 130.640 85.462 55.466 1.00 0.00 C ATOM 668 NE2 HIS A 44 129.916 86.328 56.177 1.00 0.00 N ATOM 0 H HIS A 44 129.773 89.063 50.511 1.00 0.00 H new ATOM 0 HA HIS A 44 129.019 86.520 51.911 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.257 87.782 52.319 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.293 89.034 53.078 1.00 0.00 H new ATOM 0 HD2 HIS A 44 129.113 88.286 55.581 1.00 0.00 H new ATOM 0 HE1 HIS A 44 130.996 84.514 55.843 1.00 0.00 H new ATOM 0 HE2 HIS A 44 129.605 86.225 57.143 1.00 0.00 H new ATOM 677 N SER A 45 127.513 89.414 52.011 1.00 0.00 N ATOM 678 CA SER A 45 126.280 90.110 52.498 1.00 0.00 C ATOM 679 C SER A 45 125.538 90.711 51.295 1.00 0.00 C ATOM 680 O SER A 45 125.833 90.406 50.158 1.00 0.00 O ATOM 681 CB SER A 45 126.681 91.210 53.495 1.00 0.00 C ATOM 682 OG SER A 45 126.505 90.723 54.819 1.00 0.00 O ATOM 0 H SER A 45 128.036 89.920 51.296 1.00 0.00 H new ATOM 0 HA SER A 45 125.620 89.405 53.003 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.719 91.501 53.336 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.072 92.100 53.338 1.00 0.00 H new ATOM 0 HG SER A 45 126.761 91.419 55.460 1.00 0.00 H new ATOM 688 N ILE A 46 124.570 91.557 51.539 1.00 0.00 N ATOM 689 CA ILE A 46 123.799 92.168 50.412 1.00 0.00 C ATOM 690 C ILE A 46 124.405 93.531 50.057 1.00 0.00 C ATOM 691 O ILE A 46 125.251 94.047 50.761 1.00 0.00 O ATOM 692 CB ILE A 46 122.329 92.348 50.835 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.746 91.007 51.333 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.508 92.850 49.644 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.217 90.183 50.154 1.00 0.00 C ATOM 0 H ILE A 46 124.279 91.852 52.471 1.00 0.00 H new ATOM 0 HA ILE A 46 123.847 91.515 49.541 1.00 0.00 H new ATOM 0 HB ILE A 46 122.284 93.077 51.644 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.514 90.444 51.863 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.941 91.195 52.044 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.468 92.976 49.946 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.906 93.806 49.305 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.564 92.125 48.832 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.810 89.241 50.522 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.434 90.742 49.642 1.00 0.00 H new ATOM 0 HD13 ILE A 46 122.031 89.979 49.458 1.00 0.00 H new ATOM 707 N CYS A 47 123.984 94.119 48.962 1.00 0.00 N ATOM 708 CA CYS A 47 124.541 95.447 48.554 1.00 0.00 C ATOM 709 C CYS A 47 123.483 96.251 47.800 1.00 0.00 C ATOM 710 O CYS A 47 122.459 95.735 47.403 1.00 0.00 O ATOM 711 CB CYS A 47 125.734 95.239 47.630 1.00 0.00 C ATOM 712 SG CYS A 47 127.112 94.541 48.561 1.00 0.00 S ATOM 0 H CYS A 47 123.278 93.736 48.333 1.00 0.00 H new ATOM 0 HA CYS A 47 124.846 95.986 49.451 1.00 0.00 H new ATOM 0 HB2 CYS A 47 125.461 94.572 46.812 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.029 96.188 47.182 1.00 0.00 H new ATOM 717 N SER A 48 123.732 97.518 47.592 1.00 0.00 N ATOM 718 CA SER A 48 122.757 98.371 46.851 1.00 0.00 C ATOM 719 C SER A 48 123.168 98.456 45.376 1.00 0.00 C ATOM 720 O SER A 48 124.280 98.143 45.005 1.00 0.00 O ATOM 721 CB SER A 48 122.740 99.779 47.468 1.00 0.00 C ATOM 722 OG SER A 48 121.417 100.296 47.413 1.00 0.00 O ATOM 0 H SER A 48 124.574 98.001 47.906 1.00 0.00 H new ATOM 0 HA SER A 48 121.761 97.934 46.921 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.086 99.741 48.501 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.423 100.435 46.927 1.00 0.00 H new ATOM 0 HG SER A 48 121.400 101.193 47.807 1.00 0.00 H new ATOM 728 N LEU A 49 122.279 98.907 44.546 1.00 0.00 N ATOM 729 CA LEU A 49 122.590 99.065 43.112 1.00 0.00 C ATOM 730 C LEU A 49 123.308 100.401 42.975 1.00 0.00 C ATOM 731 O LEU A 49 124.219 100.577 42.190 1.00 0.00 O ATOM 732 CB LEU A 49 121.248 99.029 42.346 1.00 0.00 C ATOM 733 CG LEU A 49 121.214 100.027 41.183 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.351 99.746 40.181 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.862 99.897 40.492 1.00 0.00 C ATOM 0 H LEU A 49 121.331 99.177 44.810 1.00 0.00 H new ATOM 0 HA LEU A 49 123.228 98.280 42.706 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.078 98.023 41.963 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.433 99.250 43.035 1.00 0.00 H new ATOM 0 HG LEU A 49 121.354 101.039 41.563 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.304 100.468 39.366 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.312 99.833 40.688 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.242 98.738 39.780 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.811 100.598 39.659 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.740 98.880 40.119 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.067 100.120 41.203 1.00 0.00 H new ATOM 747 N GLU A 50 122.896 101.329 43.773 1.00 0.00 N ATOM 748 CA GLU A 50 123.514 102.669 43.768 1.00 0.00 C ATOM 749 C GLU A 50 124.976 102.516 44.108 1.00 0.00 C ATOM 750 O GLU A 50 125.819 103.318 43.760 1.00 0.00 O ATOM 751 CB GLU A 50 122.814 103.481 44.841 1.00 0.00 C ATOM 752 CG GLU A 50 121.327 103.560 44.506 1.00 0.00 C ATOM 753 CD GLU A 50 120.669 104.667 45.332 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.838 104.658 46.540 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.007 105.505 44.741 1.00 0.00 O1- ATOM 0 H GLU A 50 122.138 101.212 44.445 1.00 0.00 H new ATOM 0 HA GLU A 50 123.422 103.160 42.799 1.00 0.00 H new ATOM 0 HB2 GLU A 50 122.957 103.019 45.818 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.242 104.482 44.896 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.194 103.759 43.443 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.847 102.604 44.714 1.00 0.00 H new ATOM 762 N GLN A 51 125.253 101.470 44.793 1.00 0.00 N ATOM 763 CA GLN A 51 126.645 101.174 45.207 1.00 0.00 C ATOM 764 C GLN A 51 127.436 100.644 44.005 1.00 0.00 C ATOM 765 O GLN A 51 128.637 100.726 43.973 1.00 0.00 O ATOM 766 CB GLN A 51 126.618 100.131 46.332 1.00 0.00 C ATOM 767 CG GLN A 51 128.028 99.594 46.586 1.00 0.00 C ATOM 768 CD GLN A 51 128.048 98.817 47.903 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.071 97.602 47.906 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.040 99.472 49.033 1.00 0.00 N ATOM 0 H GLN A 51 124.563 100.783 45.097 1.00 0.00 H new ATOM 0 HA GLN A 51 127.129 102.081 45.569 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.221 100.578 47.243 1.00 0.00 H new ATOM 0 HB3 GLN A 51 125.952 99.312 46.063 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.336 98.947 45.765 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.741 100.418 46.627 1.00 0.00 H new ATOM 0 HE21 GLN A 51 128.021 100.492 49.031 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.053 98.964 49.917 1.00 0.00 H new ATOM 779 N LEU A 52 126.774 100.115 43.011 1.00 0.00 N ATOM 780 CA LEU A 52 127.499 99.605 41.813 1.00 0.00 C ATOM 781 C LEU A 52 127.742 100.782 40.873 1.00 0.00 C ATOM 782 O LEU A 52 128.713 100.843 40.150 1.00 0.00 O ATOM 783 CB LEU A 52 126.582 98.619 41.085 1.00 0.00 C ATOM 784 CG LEU A 52 126.131 97.503 41.997 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.149 96.635 41.214 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.325 96.671 42.435 1.00 0.00 C ATOM 0 H LEU A 52 125.760 100.014 42.978 1.00 0.00 H new ATOM 0 HA LEU A 52 128.436 99.130 42.104 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.711 99.148 40.699 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.106 98.199 40.227 1.00 0.00 H new ATOM 0 HG LEU A 52 125.656 97.909 42.890 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.803 95.817 41.846 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.297 97.239 40.903 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.645 96.228 40.333 1.00 0.00 H new ATOM 0 HD21 LEU A 52 126.988 95.869 43.092 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.811 96.242 41.559 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.034 97.304 42.969 1.00 0.00 H new ATOM 798 N GLU A 53 126.823 101.704 40.861 1.00 0.00 N ATOM 799 CA GLU A 53 126.925 102.873 39.966 1.00 0.00 C ATOM 800 C GLU A 53 128.143 103.725 40.340 1.00 0.00 C ATOM 801 O GLU A 53 128.613 104.526 39.556 1.00 0.00 O ATOM 802 CB GLU A 53 125.621 103.671 40.122 1.00 0.00 C ATOM 803 CG GLU A 53 124.607 103.255 39.048 1.00 0.00 C ATOM 804 CD GLU A 53 123.329 104.080 39.208 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.863 104.612 38.213 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.838 104.168 40.322 1.00 0.00 O1- ATOM 0 H GLU A 53 125.990 101.690 41.449 1.00 0.00 H new ATOM 0 HA GLU A 53 127.059 102.565 38.929 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.200 103.502 41.113 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.828 104.738 40.041 1.00 0.00 H new ATOM 0 HG2 GLU A 53 125.029 103.408 38.055 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.381 102.193 39.138 1.00 0.00 H new ATOM 813 N ASN A 54 128.665 103.550 41.516 1.00 0.00 N ATOM 814 CA ASN A 54 129.860 104.339 41.927 1.00 0.00 C ATOM 815 C ASN A 54 131.113 103.611 41.447 1.00 0.00 C ATOM 816 O ASN A 54 132.217 104.106 41.550 1.00 0.00 O ATOM 817 CB ASN A 54 129.893 104.461 43.453 1.00 0.00 C ATOM 818 CG ASN A 54 128.559 105.014 43.952 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.770 105.521 43.178 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.273 104.938 45.221 1.00 0.00 N ATOM 0 H ASN A 54 128.317 102.894 42.215 1.00 0.00 H new ATOM 0 HA ASN A 54 129.817 105.337 41.490 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.085 103.486 43.902 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.707 105.118 43.758 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.386 105.304 45.567 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.936 104.512 45.869 1.00 0.00 H new ATOM 827 N TYR A 55 130.944 102.414 40.951 1.00 0.00 N ATOM 828 CA TYR A 55 132.111 101.611 40.491 1.00 0.00 C ATOM 829 C TYR A 55 132.410 101.933 39.032 1.00 0.00 C ATOM 830 O TYR A 55 133.549 102.037 38.620 1.00 0.00 O ATOM 831 CB TYR A 55 131.789 100.120 40.633 1.00 0.00 C ATOM 832 CG TYR A 55 131.863 99.752 42.080 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.118 100.451 43.013 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.704 98.746 42.482 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.220 100.140 44.358 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.806 98.419 43.827 1.00 0.00 C ATOM 837 CZ TYR A 55 132.064 99.120 44.774 1.00 0.00 C ATOM 838 OH TYR A 55 132.171 98.812 46.115 1.00 0.00 O ATOM 0 H TYR A 55 130.039 101.956 40.845 1.00 0.00 H new ATOM 0 HA TYR A 55 132.983 101.854 41.099 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.795 99.908 40.239 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.495 99.524 40.054 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.455 101.241 42.691 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.288 98.207 41.751 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.642 100.692 45.085 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.462 97.620 44.139 1.00 0.00 H new ATOM 0 HH TYR A 55 131.338 98.397 46.423 1.00 0.00 H new ATOM 848 N CYS A 56 131.386 102.089 38.247 1.00 0.00 N ATOM 849 CA CYS A 56 131.575 102.400 36.807 1.00 0.00 C ATOM 850 C CYS A 56 132.549 103.576 36.657 1.00 0.00 C ATOM 851 O CYS A 56 132.233 104.703 36.987 1.00 0.00 O ATOM 852 CB CYS A 56 130.212 102.759 36.207 1.00 0.00 C ATOM 853 SG CYS A 56 128.930 101.802 37.052 1.00 0.00 S ATOM 0 H CYS A 56 130.414 102.013 38.545 1.00 0.00 H new ATOM 0 HA CYS A 56 131.991 101.539 36.284 1.00 0.00 H new ATOM 0 HB2 CYS A 56 130.021 103.826 36.318 1.00 0.00 H new ATOM 0 HB3 CYS A 56 130.202 102.543 35.139 1.00 0.00 H new ATOM 858 N ASN A 57 133.728 103.322 36.161 1.00 0.00 N ATOM 859 CA ASN A 57 134.717 104.422 35.989 1.00 0.00 C ATOM 860 C ASN A 57 134.888 105.166 37.314 1.00 0.00 C ATOM 861 O ASN A 57 135.736 104.762 38.093 1.00 0.00 O ATOM 862 CB ASN A 57 134.216 105.396 34.919 1.00 0.00 C ATOM 863 CG ASN A 57 135.305 106.427 34.618 1.00 0.00 C ATOM 864 OD1 ASN A 57 136.174 106.190 33.803 1.00 0.00 O ATOM 865 ND2 ASN A 57 135.292 107.572 35.244 1.00 0.00 N ATOM 866 OXT ASN A 57 134.169 106.128 37.530 1.00 0.00 O ATOM 0 H ASN A 57 134.049 102.400 35.867 1.00 0.00 H new ATOM 0 HA ASN A 57 135.675 104.004 35.681 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.954 104.852 34.011 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.311 105.897 35.263 1.00 0.00 H new ATOM 0 HD21 ASN A 57 136.012 108.268 35.049 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.562 107.771 35.928 1.00 0.00 H new