USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 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 Set 1.1: A 41 GLN : amide:sc= -1.35 K(o=-3,f=0.2) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.61 K(o=-3,f=-0.42) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -2.89! C(o=-2.9!,f=-3.5!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0.391 K(o=0.39,f=-2.6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0044 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 98:sc= -3.13 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.01! USER MOD Single : A 30 THR OG1 : rot 124:sc= -0.565! USER MOD Single : A 44 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-1.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0507 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0916 K(o=-0.092,f=-1.3) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.49 USER MOD Single : A 57 ASN : amide:sc= -0.913 X(o=-0.91,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.629 91.142 38.960 1.00 0.00 N ATOM 2 CA PHE A 1 120.042 91.263 40.405 1.00 0.00 C ATOM 3 C PHE A 1 119.072 92.172 41.211 1.00 0.00 C ATOM 4 O PHE A 1 119.233 93.367 41.203 1.00 0.00 O ATOM 5 CB PHE A 1 121.466 91.870 40.461 1.00 0.00 C ATOM 6 CG PHE A 1 121.514 93.045 41.435 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.274 92.835 42.799 1.00 0.00 C ATOM 8 CD2 PHE A 1 121.774 94.347 40.973 1.00 0.00 C ATOM 9 CE1 PHE A 1 121.283 93.919 43.698 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.788 95.424 41.872 1.00 0.00 C ATOM 11 CZ PHE A 1 121.539 95.213 43.231 1.00 0.00 C ATOM 0 H1 PHE A 1 120.301 90.528 38.457 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.676 90.730 38.905 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.625 92.084 38.520 1.00 0.00 H new ATOM 0 HA PHE A 1 120.018 90.269 40.853 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.180 91.106 40.769 1.00 0.00 H new ATOM 0 HB3 PHE A 1 121.764 92.203 39.467 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.081 91.837 43.163 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.963 94.519 39.924 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.092 93.752 44.748 1.00 0.00 H new ATOM 0 HE2 PHE A 1 121.992 96.422 41.512 1.00 0.00 H new ATOM 0 HZ PHE A 1 121.544 96.046 43.918 1.00 0.00 H new ATOM 23 N VAL A 2 118.097 91.627 41.945 1.00 0.00 N ATOM 24 CA VAL A 2 117.199 92.491 42.757 1.00 0.00 C ATOM 25 C VAL A 2 117.926 92.868 44.047 1.00 0.00 C ATOM 26 O VAL A 2 117.888 93.997 44.491 1.00 0.00 O ATOM 27 CB VAL A 2 115.919 91.723 43.095 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.271 90.440 43.854 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.015 92.598 43.969 1.00 0.00 C ATOM 0 H VAL A 2 117.903 90.627 42.002 1.00 0.00 H new ATOM 0 HA VAL A 2 116.937 93.390 42.199 1.00 0.00 H new ATOM 0 HB VAL A 2 115.399 91.466 42.172 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.357 89.896 44.093 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.914 89.815 43.234 1.00 0.00 H new ATOM 0 HG13 VAL A 2 116.793 90.695 44.776 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.103 92.052 44.210 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.538 92.856 44.890 1.00 0.00 H new ATOM 0 HG23 VAL A 2 114.760 93.510 43.430 1.00 0.00 H new ATOM 39 N ASN A 3 118.594 91.918 44.638 1.00 0.00 N ATOM 40 CA ASN A 3 119.345 92.170 45.901 1.00 0.00 C ATOM 41 C ASN A 3 120.237 90.958 46.172 1.00 0.00 C ATOM 42 O ASN A 3 121.301 90.822 45.604 1.00 0.00 O ATOM 43 CB ASN A 3 118.351 92.341 47.059 1.00 0.00 C ATOM 44 CG ASN A 3 117.795 93.764 47.068 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.611 93.968 46.884 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.604 94.763 47.274 1.00 0.00 N ATOM 0 H ASN A 3 118.653 90.960 44.293 1.00 0.00 H new ATOM 0 HA ASN A 3 119.948 93.073 45.812 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.536 91.624 46.958 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.845 92.129 48.007 1.00 0.00 H new ATOM 0 HD21 ASN A 3 118.244 95.717 47.281 1.00 0.00 H new ATOM 0 HD22 ASN A 3 119.598 94.591 47.428 1.00 0.00 H new ATOM 53 N GLN A 4 119.775 90.085 47.026 1.00 0.00 N ATOM 54 CA GLN A 4 120.513 88.833 47.385 1.00 0.00 C ATOM 55 C GLN A 4 122.036 89.003 47.344 1.00 0.00 C ATOM 56 O GLN A 4 122.567 90.094 47.315 1.00 0.00 O ATOM 57 CB GLN A 4 120.084 87.702 46.438 1.00 0.00 C ATOM 58 CG GLN A 4 120.790 87.813 45.072 1.00 0.00 C ATOM 59 CD GLN A 4 120.114 86.865 44.080 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.633 85.807 43.781 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.967 87.200 43.554 1.00 0.00 N ATOM 0 H GLN A 4 118.883 90.191 47.509 1.00 0.00 H new ATOM 0 HA GLN A 4 120.255 88.587 48.415 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.316 86.738 46.892 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.004 87.736 46.295 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.740 88.838 44.705 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.846 87.561 45.173 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.531 88.087 43.804 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.507 86.574 42.893 1.00 0.00 H new ATOM 70 N HIS A 5 122.743 87.902 47.365 1.00 0.00 N ATOM 71 CA HIS A 5 124.232 87.949 47.339 1.00 0.00 C ATOM 72 C HIS A 5 124.712 87.718 45.908 1.00 0.00 C ATOM 73 O HIS A 5 124.106 86.988 45.149 1.00 0.00 O ATOM 74 CB HIS A 5 124.792 86.853 48.249 1.00 0.00 C ATOM 75 CG HIS A 5 124.186 85.529 47.875 1.00 0.00 C ATOM 76 ND1 HIS A 5 122.916 85.150 48.291 1.00 0.00 N ATOM 77 CD2 HIS A 5 124.664 84.479 47.128 1.00 0.00 C ATOM 78 CE1 HIS A 5 122.676 83.923 47.796 1.00 0.00 C ATOM 79 NE2 HIS A 5 123.709 83.470 47.081 1.00 0.00 N ATOM 0 H HIS A 5 122.345 86.963 47.399 1.00 0.00 H new ATOM 0 HA HIS A 5 124.577 88.921 47.691 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.877 86.807 48.155 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.572 87.084 49.291 1.00 0.00 H new ATOM 0 HD2 HIS A 5 125.632 84.443 46.651 1.00 0.00 H new ATOM 0 HE1 HIS A 5 121.761 83.372 47.957 1.00 0.00 H new ATOM 0 HE2 HIS A 5 123.782 82.573 46.601 1.00 0.00 H new ATOM 88 N LEU A 6 125.795 88.341 45.533 1.00 0.00 N ATOM 89 CA LEU A 6 126.332 88.180 44.147 1.00 0.00 C ATOM 90 C LEU A 6 127.844 87.912 44.243 1.00 0.00 C ATOM 91 O LEU A 6 128.617 88.789 44.579 1.00 0.00 O ATOM 92 CB LEU A 6 126.042 89.489 43.367 1.00 0.00 C ATOM 93 CG LEU A 6 125.196 89.233 42.098 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.876 88.512 42.455 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.907 90.590 41.385 1.00 0.00 C ATOM 0 H LEU A 6 126.338 88.962 46.132 1.00 0.00 H new ATOM 0 HA LEU A 6 125.863 87.346 43.625 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.518 90.189 44.017 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.984 89.959 43.086 1.00 0.00 H new ATOM 0 HG LEU A 6 125.755 88.586 41.422 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.297 88.342 41.547 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.100 87.555 42.927 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.299 89.129 43.143 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.311 90.411 40.490 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.359 91.247 42.061 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.849 91.062 41.105 1.00 0.00 H new ATOM 107 N CYS A 7 128.263 86.701 43.954 1.00 0.00 N ATOM 108 CA CYS A 7 129.719 86.342 44.026 1.00 0.00 C ATOM 109 C CYS A 7 130.208 85.950 42.626 1.00 0.00 C ATOM 110 O CYS A 7 129.475 85.384 41.844 1.00 0.00 O ATOM 111 CB CYS A 7 129.898 85.166 45.003 1.00 0.00 C ATOM 112 SG CYS A 7 131.508 85.294 45.822 1.00 0.00 S ATOM 0 H CYS A 7 127.651 85.937 43.668 1.00 0.00 H new ATOM 0 HA CYS A 7 130.301 87.192 44.381 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.100 85.172 45.745 1.00 0.00 H new ATOM 0 HB3 CYS A 7 129.826 84.220 44.466 1.00 0.00 H new ATOM 117 N GLY A 8 131.434 86.255 42.299 1.00 0.00 N ATOM 118 CA GLY A 8 131.950 85.909 40.942 1.00 0.00 C ATOM 119 C GLY A 8 131.486 86.992 39.967 1.00 0.00 C ATOM 120 O GLY A 8 130.776 87.902 40.349 1.00 0.00 O ATOM 0 H GLY A 8 132.100 86.728 42.910 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.038 85.848 40.953 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.579 84.933 40.631 1.00 0.00 H new ATOM 124 N SER A 9 131.865 86.925 38.721 1.00 0.00 N ATOM 125 CA SER A 9 131.411 87.984 37.781 1.00 0.00 C ATOM 126 C SER A 9 129.884 88.085 37.838 1.00 0.00 C ATOM 127 O SER A 9 129.307 89.029 37.342 1.00 0.00 O ATOM 128 CB SER A 9 131.882 87.696 36.356 1.00 0.00 C ATOM 129 OG SER A 9 131.813 86.298 36.105 1.00 0.00 O ATOM 0 H SER A 9 132.457 86.198 38.320 1.00 0.00 H new ATOM 0 HA SER A 9 131.849 88.936 38.081 1.00 0.00 H new ATOM 0 HB2 SER A 9 131.261 88.235 35.641 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.904 88.050 36.221 1.00 0.00 H new ATOM 0 HG SER A 9 132.114 86.115 35.190 1.00 0.00 H new ATOM 135 N HIS A 10 129.212 87.154 38.481 1.00 0.00 N ATOM 136 CA HIS A 10 127.724 87.289 38.592 1.00 0.00 C ATOM 137 C HIS A 10 127.490 88.682 39.146 1.00 0.00 C ATOM 138 O HIS A 10 126.515 89.345 38.858 1.00 0.00 O ATOM 139 CB HIS A 10 127.154 86.253 39.568 1.00 0.00 C ATOM 140 CG HIS A 10 127.053 84.918 38.885 1.00 0.00 C ATOM 141 ND1 HIS A 10 128.040 83.949 39.006 1.00 0.00 N ATOM 142 CD2 HIS A 10 126.090 84.373 38.072 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.651 82.881 38.283 1.00 0.00 C ATOM 144 NE2 HIS A 10 126.472 83.090 37.695 1.00 0.00 N ATOM 0 H HIS A 10 129.618 86.329 38.922 1.00 0.00 H new ATOM 0 HA HIS A 10 127.239 87.131 37.629 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.794 86.176 40.447 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.171 86.570 39.917 1.00 0.00 H new ATOM 0 HD2 HIS A 10 125.177 84.865 37.772 1.00 0.00 H new ATOM 0 HE1 HIS A 10 128.222 81.969 38.191 1.00 0.00 H new ATOM 0 HE2 HIS A 10 125.959 82.444 37.095 1.00 0.00 H new ATOM 153 N LEU A 11 128.449 89.125 39.907 1.00 0.00 N ATOM 154 CA LEU A 11 128.426 90.467 40.485 1.00 0.00 C ATOM 155 C LEU A 11 128.749 91.446 39.363 1.00 0.00 C ATOM 156 O LEU A 11 128.044 92.408 39.133 1.00 0.00 O ATOM 157 CB LEU A 11 129.504 90.494 41.558 1.00 0.00 C ATOM 158 CG LEU A 11 129.774 91.916 42.010 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.462 92.636 42.332 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.688 91.892 43.246 1.00 0.00 C ATOM 0 H LEU A 11 129.274 88.578 40.153 1.00 0.00 H new ATOM 0 HA LEU A 11 127.464 90.732 40.923 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.192 89.889 42.410 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.421 90.050 41.171 1.00 0.00 H new ATOM 0 HG LEU A 11 130.269 92.459 41.205 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.676 93.655 42.655 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.833 92.662 41.442 1.00 0.00 H new ATOM 0 HD13 LEU A 11 127.942 92.105 43.129 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.884 92.913 43.573 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.199 91.341 44.049 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.630 91.405 42.993 1.00 0.00 H new ATOM 172 N VAL A 12 129.799 91.178 38.631 1.00 0.00 N ATOM 173 CA VAL A 12 130.154 92.065 37.492 1.00 0.00 C ATOM 174 C VAL A 12 128.930 92.274 36.656 1.00 0.00 C ATOM 175 O VAL A 12 128.687 93.343 36.146 1.00 0.00 O ATOM 176 CB VAL A 12 131.194 91.394 36.597 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.162 92.024 35.187 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.561 91.569 37.229 1.00 0.00 C ATOM 0 H VAL A 12 130.423 90.384 38.775 1.00 0.00 H new ATOM 0 HA VAL A 12 130.547 93.002 37.887 1.00 0.00 H new ATOM 0 HB VAL A 12 130.973 90.331 36.498 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.907 91.540 34.555 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.172 91.889 34.750 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.384 93.089 35.259 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.315 91.095 36.601 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.784 92.632 37.325 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.567 91.107 38.216 1.00 0.00 H new ATOM 188 N GLU A 13 128.188 91.238 36.453 1.00 0.00 N ATOM 189 CA GLU A 13 127.017 91.368 35.599 1.00 0.00 C ATOM 190 C GLU A 13 126.248 92.596 36.020 1.00 0.00 C ATOM 191 O GLU A 13 126.088 93.524 35.266 1.00 0.00 O ATOM 192 CB GLU A 13 126.130 90.157 35.741 1.00 0.00 C ATOM 193 CG GLU A 13 125.235 90.051 34.512 1.00 0.00 C ATOM 194 CD GLU A 13 124.137 89.014 34.757 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.471 87.906 35.140 1.00 0.00 O ATOM 196 OE2 GLU A 13 122.981 89.347 34.558 1.00 0.00 O1- ATOM 0 H GLU A 13 128.349 90.310 36.845 1.00 0.00 H new ATOM 0 HA GLU A 13 127.334 91.453 34.560 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.736 89.257 35.844 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.523 90.238 36.643 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.789 91.021 34.291 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.828 89.767 33.643 1.00 0.00 H new ATOM 203 N ALA A 14 125.829 92.610 37.257 1.00 0.00 N ATOM 204 CA ALA A 14 125.101 93.783 37.786 1.00 0.00 C ATOM 205 C ALA A 14 125.854 95.021 37.351 1.00 0.00 C ATOM 206 O ALA A 14 125.347 95.824 36.601 1.00 0.00 O ATOM 207 CB ALA A 14 125.077 93.703 39.312 1.00 0.00 C ATOM 0 H ALA A 14 125.964 91.850 37.923 1.00 0.00 H new ATOM 0 HA ALA A 14 124.077 93.812 37.415 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.542 94.564 39.713 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.573 92.787 39.620 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.098 93.701 39.692 1.00 0.00 H new ATOM 213 N LEU A 15 127.084 95.151 37.767 1.00 0.00 N ATOM 214 CA LEU A 15 127.888 96.318 37.337 1.00 0.00 C ATOM 215 C LEU A 15 127.718 96.503 35.830 1.00 0.00 C ATOM 216 O LEU A 15 127.497 97.585 35.351 1.00 0.00 O ATOM 217 CB LEU A 15 129.358 96.062 37.646 1.00 0.00 C ATOM 218 CG LEU A 15 129.558 96.090 39.172 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.664 95.114 39.589 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.925 97.518 39.616 1.00 0.00 C ATOM 0 H LEU A 15 127.563 94.497 38.386 1.00 0.00 H new ATOM 0 HA LEU A 15 127.556 97.212 37.865 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.666 95.097 37.243 1.00 0.00 H new ATOM 0 HB3 LEU A 15 129.981 96.819 37.170 1.00 0.00 H new ATOM 0 HG LEU A 15 128.629 95.785 39.654 1.00 0.00 H new ATOM 0 HD11 LEU A 15 130.790 95.148 40.671 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.390 94.103 39.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.599 95.396 39.105 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.067 97.538 40.697 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.847 97.827 39.123 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.121 98.202 39.343 1.00 0.00 H new ATOM 232 N TYR A 16 127.790 95.443 35.071 1.00 0.00 N ATOM 233 CA TYR A 16 127.599 95.592 33.607 1.00 0.00 C ATOM 234 C TYR A 16 126.239 96.264 33.405 1.00 0.00 C ATOM 235 O TYR A 16 126.111 97.250 32.714 1.00 0.00 O ATOM 236 CB TYR A 16 127.693 94.188 32.920 1.00 0.00 C ATOM 237 CG TYR A 16 126.544 93.865 31.972 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.129 94.793 31.034 1.00 0.00 C ATOM 239 CD2 TYR A 16 125.930 92.611 32.014 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.103 94.491 30.141 1.00 0.00 C ATOM 241 CE2 TYR A 16 124.896 92.296 31.124 1.00 0.00 C ATOM 242 CZ TYR A 16 124.481 93.241 30.184 1.00 0.00 C ATOM 243 OH TYR A 16 123.466 92.942 29.299 1.00 0.00 O ATOM 0 H TYR A 16 127.970 94.494 35.399 1.00 0.00 H new ATOM 0 HA TYR A 16 128.372 96.208 33.148 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.630 94.132 32.366 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.734 93.422 33.694 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.605 95.762 30.993 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.255 91.879 32.738 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.788 95.225 29.414 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.422 91.327 31.165 1.00 0.00 H new ATOM 0 HH TYR A 16 123.145 92.031 29.465 1.00 0.00 H new ATOM 253 N LEU A 17 125.227 95.743 34.014 1.00 0.00 N ATOM 254 CA LEU A 17 123.882 96.352 33.861 1.00 0.00 C ATOM 255 C LEU A 17 123.950 97.839 34.170 1.00 0.00 C ATOM 256 O LEU A 17 123.666 98.682 33.342 1.00 0.00 O ATOM 257 CB LEU A 17 122.922 95.708 34.851 1.00 0.00 C ATOM 258 CG LEU A 17 123.075 94.201 34.792 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.022 93.532 35.673 1.00 0.00 C ATOM 260 CD2 LEU A 17 122.944 93.687 33.368 1.00 0.00 C ATOM 0 H LEU A 17 125.267 94.919 34.614 1.00 0.00 H new ATOM 0 HA LEU A 17 123.540 96.197 32.838 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.128 96.066 35.860 1.00 0.00 H new ATOM 0 HB3 LEU A 17 121.896 95.990 34.616 1.00 0.00 H new ATOM 0 HG LEU A 17 124.072 93.953 35.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.141 92.450 35.624 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.146 93.864 36.704 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.027 93.804 35.321 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.059 92.603 33.360 1.00 0.00 H new ATOM 0 HD22 LEU A 17 121.962 93.951 32.975 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.717 94.138 32.746 1.00 0.00 H new ATOM 272 N VAL A 18 124.295 98.153 35.379 1.00 0.00 N ATOM 273 CA VAL A 18 124.358 99.563 35.802 1.00 0.00 C ATOM 274 C VAL A 18 125.539 100.268 35.086 1.00 0.00 C ATOM 275 O VAL A 18 125.357 101.248 34.392 1.00 0.00 O ATOM 276 CB VAL A 18 124.451 99.612 37.367 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.468 98.201 37.966 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.698 100.365 37.845 1.00 0.00 C ATOM 0 H VAL A 18 124.540 97.477 36.103 1.00 0.00 H new ATOM 0 HA VAL A 18 123.459 100.107 35.514 1.00 0.00 H new ATOM 0 HB VAL A 18 123.564 100.146 37.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.533 98.268 39.052 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.553 97.677 37.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.330 97.654 37.584 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.722 100.374 38.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.591 99.867 37.467 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.669 101.389 37.474 1.00 0.00 H new ATOM 288 N CYS A 19 126.737 99.779 35.257 1.00 0.00 N ATOM 289 CA CYS A 19 127.929 100.411 34.602 1.00 0.00 C ATOM 290 C CYS A 19 128.120 99.857 33.181 1.00 0.00 C ATOM 291 O CYS A 19 129.233 99.696 32.719 1.00 0.00 O ATOM 292 CB CYS A 19 129.186 100.077 35.410 1.00 0.00 C ATOM 293 SG CYS A 19 129.042 100.706 37.102 1.00 0.00 S ATOM 0 H CYS A 19 126.948 98.960 35.828 1.00 0.00 H new ATOM 0 HA CYS A 19 127.767 101.488 34.559 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.336 98.998 35.429 1.00 0.00 H new ATOM 0 HB3 CYS A 19 130.061 100.512 34.928 1.00 0.00 H new ATOM 298 N GLY A 20 127.059 99.548 32.492 1.00 0.00 N ATOM 299 CA GLY A 20 127.188 98.985 31.109 1.00 0.00 C ATOM 300 C GLY A 20 128.030 99.898 30.212 1.00 0.00 C ATOM 301 O GLY A 20 129.225 100.028 30.385 1.00 0.00 O ATOM 0 H GLY A 20 126.101 99.660 32.824 1.00 0.00 H new ATOM 0 HA2 GLY A 20 127.646 97.997 31.158 1.00 0.00 H new ATOM 0 HA3 GLY A 20 126.197 98.856 30.673 1.00 0.00 H new ATOM 305 N GLU A 21 127.413 100.506 29.232 1.00 0.00 N ATOM 306 CA GLU A 21 128.164 101.392 28.291 1.00 0.00 C ATOM 307 C GLU A 21 129.133 102.292 29.058 1.00 0.00 C ATOM 308 O GLU A 21 130.032 102.878 28.488 1.00 0.00 O ATOM 309 CB GLU A 21 127.170 102.257 27.514 1.00 0.00 C ATOM 310 CG GLU A 21 126.103 101.361 26.880 1.00 0.00 C ATOM 311 CD GLU A 21 125.332 102.149 25.818 1.00 0.00 C ATOM 312 OE1 GLU A 21 125.531 103.350 25.740 1.00 0.00 O ATOM 313 OE2 GLU A 21 124.558 101.536 25.101 1.00 0.00 O1- ATOM 0 H GLU A 21 126.414 100.426 29.041 1.00 0.00 H new ATOM 0 HA GLU A 21 128.737 100.771 27.602 1.00 0.00 H new ATOM 0 HB2 GLU A 21 126.703 102.982 28.181 1.00 0.00 H new ATOM 0 HB3 GLU A 21 127.690 102.824 26.742 1.00 0.00 H new ATOM 0 HG2 GLU A 21 126.571 100.486 26.429 1.00 0.00 H new ATOM 0 HG3 GLU A 21 125.418 100.997 27.646 1.00 0.00 H new ATOM 320 N ARG A 22 128.963 102.413 30.342 1.00 0.00 N ATOM 321 CA ARG A 22 129.878 103.279 31.134 1.00 0.00 C ATOM 322 C ARG A 22 131.234 102.581 31.304 1.00 0.00 C ATOM 323 O ARG A 22 132.274 103.205 31.218 1.00 0.00 O ATOM 324 CB ARG A 22 129.260 103.549 32.506 1.00 0.00 C ATOM 325 CG ARG A 22 127.873 104.187 32.349 1.00 0.00 C ATOM 326 CD ARG A 22 127.999 105.685 32.055 1.00 0.00 C ATOM 327 NE ARG A 22 128.317 105.890 30.614 1.00 0.00 N ATOM 328 CZ ARG A 22 128.392 107.099 30.128 1.00 0.00 C ATOM 329 NH1 ARG A 22 128.678 107.278 28.867 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 128.180 108.128 30.902 1.00 0.00 N ATOM 0 H ARG A 22 128.230 101.950 30.879 1.00 0.00 H new ATOM 0 HA ARG A 22 130.027 104.224 30.611 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.178 102.617 33.065 1.00 0.00 H new ATOM 0 HB3 ARG A 22 129.909 104.210 33.081 1.00 0.00 H new ATOM 0 HG2 ARG A 22 127.331 103.697 31.541 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.293 104.037 33.259 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.069 106.194 32.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.781 106.122 32.676 1.00 0.00 H new ATOM 0 HE ARG A 22 128.476 105.086 30.007 1.00 0.00 H new ATOM 0 HH11 ARG A 22 128.843 106.473 28.262 1.00 0.00 H new ATOM 0 HH12 ARG A 22 128.737 108.223 28.486 1.00 0.00 H new ATOM 0 HH21 ARG A 22 127.956 107.988 31.887 1.00 0.00 H new ATOM 0 HH22 ARG A 22 128.239 109.073 30.522 1.00 0.00 H new ATOM 344 N GLY A 23 131.234 101.291 31.536 1.00 0.00 N ATOM 345 CA GLY A 23 132.527 100.549 31.702 1.00 0.00 C ATOM 346 C GLY A 23 132.831 100.347 33.186 1.00 0.00 C ATOM 347 O GLY A 23 132.662 101.234 33.997 1.00 0.00 O ATOM 0 H GLY A 23 130.394 100.718 31.618 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.468 99.583 31.200 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.337 101.104 31.229 1.00 0.00 H new ATOM 351 N PHE A 24 133.282 99.171 33.539 1.00 0.00 N ATOM 352 CA PHE A 24 133.611 98.862 34.961 1.00 0.00 C ATOM 353 C PHE A 24 134.918 98.046 34.976 1.00 0.00 C ATOM 354 O PHE A 24 135.552 97.899 33.950 1.00 0.00 O ATOM 355 CB PHE A 24 132.440 98.072 35.548 1.00 0.00 C ATOM 356 CG PHE A 24 132.217 96.832 34.724 1.00 0.00 C ATOM 357 CD1 PHE A 24 133.011 95.735 34.954 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.224 96.776 33.744 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.835 94.562 34.220 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.051 95.595 33.005 1.00 0.00 C ATOM 361 CZ PHE A 24 131.857 94.493 33.246 1.00 0.00 C ATOM 0 H PHE A 24 133.438 98.400 32.890 1.00 0.00 H new ATOM 0 HA PHE A 24 133.759 99.760 35.560 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.650 97.802 36.583 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.539 98.685 35.555 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.780 95.781 35.711 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.595 97.633 33.556 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.464 93.706 34.413 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.286 95.545 32.245 1.00 0.00 H new ATOM 0 HZ PHE A 24 131.721 93.586 32.676 1.00 0.00 H new ATOM 371 N PHE A 25 135.363 97.530 36.103 1.00 0.00 N ATOM 372 CA PHE A 25 136.663 96.766 36.080 1.00 0.00 C ATOM 373 C PHE A 25 136.760 95.727 37.215 1.00 0.00 C ATOM 374 O PHE A 25 136.763 96.058 38.383 1.00 0.00 O ATOM 375 CB PHE A 25 137.815 97.765 36.216 1.00 0.00 C ATOM 376 CG PHE A 25 139.126 97.036 36.243 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.855 96.901 35.067 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.617 96.510 37.443 1.00 0.00 C ATOM 379 CE1 PHE A 25 141.075 96.242 35.081 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.845 95.843 37.458 1.00 0.00 C ATOM 381 CZ PHE A 25 141.577 95.709 36.274 1.00 0.00 C ATOM 0 H PHE A 25 134.902 97.599 37.010 1.00 0.00 H new ATOM 0 HA PHE A 25 136.715 96.221 35.137 1.00 0.00 H new ATOM 0 HB2 PHE A 25 137.798 98.468 35.383 1.00 0.00 H new ATOM 0 HB3 PHE A 25 137.695 98.349 37.129 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.472 97.309 34.143 1.00 0.00 H new ATOM 0 HD2 PHE A 25 139.049 96.619 38.355 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.641 96.139 34.167 1.00 0.00 H new ATOM 0 HE2 PHE A 25 141.227 95.432 38.381 1.00 0.00 H new ATOM 0 HZ PHE A 25 142.527 95.196 36.280 1.00 0.00 H new ATOM 391 N TYR A 26 136.878 94.469 36.853 1.00 0.00 N ATOM 392 CA TYR A 26 137.024 93.369 37.867 1.00 0.00 C ATOM 393 C TYR A 26 137.926 92.294 37.251 1.00 0.00 C ATOM 394 O TYR A 26 137.538 91.602 36.332 1.00 0.00 O ATOM 395 CB TYR A 26 135.658 92.744 38.208 1.00 0.00 C ATOM 396 CG TYR A 26 134.931 93.610 39.202 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.846 93.252 40.559 1.00 0.00 C ATOM 398 CD2 TYR A 26 134.340 94.785 38.764 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.183 94.068 41.446 1.00 0.00 C ATOM 400 CE2 TYR A 26 133.673 95.602 39.658 1.00 0.00 C ATOM 401 CZ TYR A 26 133.596 95.246 41.003 1.00 0.00 C ATOM 402 OH TYR A 26 132.932 96.058 41.883 1.00 0.00 O ATOM 0 H TYR A 26 136.879 94.152 35.883 1.00 0.00 H new ATOM 0 HA TYR A 26 137.449 93.772 38.786 1.00 0.00 H new ATOM 0 HB2 TYR A 26 135.062 92.636 37.302 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.798 91.744 38.618 1.00 0.00 H new ATOM 0 HD1 TYR A 26 135.301 92.336 40.905 1.00 0.00 H new ATOM 0 HD2 TYR A 26 134.401 95.063 37.722 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.119 93.792 42.488 1.00 0.00 H new ATOM 0 HE2 TYR A 26 133.212 96.516 39.314 1.00 0.00 H new ATOM 0 HH TYR A 26 133.526 96.781 42.173 1.00 0.00 H new ATOM 412 N THR A 27 139.131 92.163 37.732 1.00 0.00 N ATOM 413 CA THR A 27 140.060 91.145 37.156 1.00 0.00 C ATOM 414 C THR A 27 139.403 89.756 37.201 1.00 0.00 C ATOM 415 O THR A 27 138.214 89.628 37.416 1.00 0.00 O ATOM 416 CB THR A 27 141.401 91.137 37.943 1.00 0.00 C ATOM 417 OG1 THR A 27 141.678 89.835 38.441 1.00 0.00 O ATOM 418 CG2 THR A 27 141.329 92.113 39.119 1.00 0.00 C ATOM 0 H THR A 27 139.515 92.716 38.499 1.00 0.00 H new ATOM 0 HA THR A 27 140.271 91.401 36.118 1.00 0.00 H new ATOM 0 HB THR A 27 142.196 91.441 37.261 1.00 0.00 H new ATOM 0 HG1 THR A 27 142.526 89.846 38.932 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.274 92.098 39.662 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.141 93.120 38.745 1.00 0.00 H new ATOM 0 HG23 THR A 27 140.521 91.817 39.788 1.00 0.00 H new ATOM 426 N ASP A 28 140.177 88.726 36.997 1.00 0.00 N ATOM 427 CA ASP A 28 139.639 87.335 37.026 1.00 0.00 C ATOM 428 C ASP A 28 138.778 87.158 38.296 1.00 0.00 C ATOM 429 O ASP A 28 138.636 88.074 39.078 1.00 0.00 O ATOM 430 CB ASP A 28 140.850 86.366 37.029 1.00 0.00 C ATOM 431 CG ASP A 28 140.698 85.293 35.939 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.980 84.141 36.226 1.00 0.00 O ATOM 433 OD2 ASP A 28 140.304 85.645 34.840 1.00 0.00 O1- ATOM 0 H ASP A 28 141.177 88.790 36.808 1.00 0.00 H new ATOM 0 HA ASP A 28 139.011 87.127 36.160 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.770 86.927 36.866 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.936 85.889 38.005 1.00 0.00 H new ATOM 438 N PRO A 29 138.367 85.957 38.553 1.00 0.00 N ATOM 439 CA PRO A 29 137.622 85.572 39.789 1.00 0.00 C ATOM 440 C PRO A 29 138.589 85.241 40.947 1.00 0.00 C ATOM 441 O PRO A 29 138.183 84.947 42.063 1.00 0.00 O ATOM 442 CB PRO A 29 136.885 84.295 39.365 1.00 0.00 C ATOM 443 CG PRO A 29 137.615 83.750 38.167 1.00 0.00 C ATOM 444 CD PRO A 29 138.587 84.815 37.674 1.00 0.00 C ATOM 0 HA PRO A 29 136.971 86.369 40.147 1.00 0.00 H new ATOM 0 HB2 PRO A 29 136.875 83.567 40.176 1.00 0.00 H new ATOM 0 HB3 PRO A 29 135.846 84.512 39.119 1.00 0.00 H new ATOM 0 HG2 PRO A 29 138.152 82.839 38.432 1.00 0.00 H new ATOM 0 HG3 PRO A 29 136.909 83.487 37.380 1.00 0.00 H new ATOM 0 HD2 PRO A 29 139.618 84.466 37.730 1.00 0.00 H new ATOM 0 HD3 PRO A 29 138.395 85.074 36.633 1.00 0.00 H new ATOM 452 N THR A 30 139.867 85.226 40.648 1.00 0.00 N ATOM 453 CA THR A 30 140.898 84.847 41.655 1.00 0.00 C ATOM 454 C THR A 30 142.175 85.678 41.425 1.00 0.00 C ATOM 455 O THR A 30 142.107 86.855 41.117 1.00 0.00 O ATOM 456 CB THR A 30 141.166 83.332 41.474 1.00 0.00 C ATOM 457 OG1 THR A 30 142.506 83.082 41.062 1.00 0.00 O ATOM 458 CG2 THR A 30 140.218 82.771 40.403 1.00 0.00 C ATOM 0 H THR A 30 140.241 85.466 39.730 1.00 0.00 H new ATOM 0 HA THR A 30 140.563 85.046 42.673 1.00 0.00 H new ATOM 0 HB THR A 30 140.999 82.848 42.436 1.00 0.00 H new ATOM 0 HG1 THR A 30 142.934 82.469 41.696 1.00 0.00 H new ATOM 0 HG21 THR A 30 140.405 81.705 40.274 1.00 0.00 H new ATOM 0 HG22 THR A 30 139.185 82.923 40.716 1.00 0.00 H new ATOM 0 HG23 THR A 30 140.391 83.287 39.458 1.00 0.00 H new ATOM 466 N GLU A 31 143.337 85.104 41.563 1.00 0.00 N ATOM 467 CA GLU A 31 144.567 85.913 41.333 1.00 0.00 C ATOM 468 C GLU A 31 144.648 87.009 42.403 1.00 0.00 C ATOM 469 O GLU A 31 144.105 88.081 42.241 1.00 0.00 O ATOM 470 CB GLU A 31 144.483 86.556 39.939 1.00 0.00 C ATOM 471 CG GLU A 31 143.582 85.695 39.043 1.00 0.00 C ATOM 472 CD GLU A 31 143.946 85.903 37.571 1.00 0.00 C ATOM 473 OE1 GLU A 31 144.528 85.000 36.988 1.00 0.00 O ATOM 474 OE2 GLU A 31 143.625 86.955 37.046 1.00 0.00 O1- ATOM 0 H GLU A 31 143.489 84.129 41.820 1.00 0.00 H new ATOM 0 HA GLU A 31 145.453 85.281 41.392 1.00 0.00 H new ATOM 0 HB2 GLU A 31 144.083 87.567 40.015 1.00 0.00 H new ATOM 0 HB3 GLU A 31 145.478 86.639 39.503 1.00 0.00 H new ATOM 0 HG2 GLU A 31 143.692 84.643 39.307 1.00 0.00 H new ATOM 0 HG3 GLU A 31 142.537 85.957 39.207 1.00 0.00 H new ATOM 481 N GLU A 32 145.319 86.729 43.495 1.00 0.00 N ATOM 482 CA GLU A 32 145.459 87.723 44.609 1.00 0.00 C ATOM 483 C GLU A 32 144.080 88.129 45.150 1.00 0.00 C ATOM 484 O GLU A 32 143.730 87.757 46.250 1.00 0.00 O ATOM 485 CB GLU A 32 146.245 88.933 44.117 1.00 0.00 C ATOM 486 CG GLU A 32 147.444 88.417 43.316 1.00 0.00 C ATOM 487 CD GLU A 32 148.142 89.576 42.610 1.00 0.00 C ATOM 488 OE1 GLU A 32 147.762 89.877 41.491 1.00 0.00 O ATOM 489 OE2 GLU A 32 149.053 90.135 43.195 1.00 0.00 O1- ATOM 0 H GLU A 32 145.784 85.837 43.665 1.00 0.00 H new ATOM 0 HA GLU A 32 146.008 87.267 45.433 1.00 0.00 H new ATOM 0 HB2 GLU A 32 145.616 89.570 43.496 1.00 0.00 H new ATOM 0 HB3 GLU A 32 146.580 89.539 44.959 1.00 0.00 H new ATOM 0 HG2 GLU A 32 148.144 87.911 43.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 147.112 87.682 42.583 1.00 0.00 H new ATOM 496 N GLY A 33 143.275 88.862 44.417 1.00 0.00 N ATOM 497 CA GLY A 33 141.934 89.207 44.986 1.00 0.00 C ATOM 498 C GLY A 33 141.208 90.287 44.171 1.00 0.00 C ATOM 499 O GLY A 33 141.777 90.926 43.306 1.00 0.00 O ATOM 0 H GLY A 33 143.477 89.224 43.485 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.317 88.309 45.023 1.00 0.00 H new ATOM 0 HA3 GLY A 33 142.057 89.552 46.012 1.00 0.00 H new ATOM 503 N PRO A 34 139.944 90.484 44.486 1.00 0.00 N ATOM 504 CA PRO A 34 139.062 91.513 43.843 1.00 0.00 C ATOM 505 C PRO A 34 139.292 92.938 44.388 1.00 0.00 C ATOM 506 O PRO A 34 140.400 93.442 44.393 1.00 0.00 O ATOM 507 CB PRO A 34 137.668 91.033 44.241 1.00 0.00 C ATOM 508 CG PRO A 34 137.874 90.468 45.596 1.00 0.00 C ATOM 509 CD PRO A 34 139.190 89.713 45.497 1.00 0.00 C ATOM 0 HA PRO A 34 139.243 91.592 42.771 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.949 91.852 44.252 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.287 90.284 43.547 1.00 0.00 H new ATOM 0 HG2 PRO A 34 137.923 91.253 46.350 1.00 0.00 H new ATOM 0 HG3 PRO A 34 137.056 89.805 45.878 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.711 89.685 46.454 1.00 0.00 H new ATOM 0 HD3 PRO A 34 139.039 88.679 45.186 1.00 0.00 H new ATOM 517 N ARG A 35 138.233 93.581 44.845 1.00 0.00 N ATOM 518 CA ARG A 35 138.339 94.968 45.398 1.00 0.00 C ATOM 519 C ARG A 35 138.497 94.886 46.899 1.00 0.00 C ATOM 520 O ARG A 35 138.821 95.850 47.564 1.00 0.00 O ATOM 521 CB ARG A 35 137.035 95.743 45.121 1.00 0.00 C ATOM 522 CG ARG A 35 137.372 97.191 44.770 1.00 0.00 C ATOM 523 CD ARG A 35 136.206 98.127 45.109 1.00 0.00 C ATOM 524 NE ARG A 35 136.771 99.446 45.514 1.00 0.00 N ATOM 525 CZ ARG A 35 136.637 99.884 46.738 1.00 0.00 C ATOM 526 NH1 ARG A 35 137.193 101.014 47.082 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 135.944 99.209 47.616 1.00 0.00 N ATOM 0 H ARG A 35 137.290 93.193 44.856 1.00 0.00 H new ATOM 0 HA ARG A 35 139.189 95.468 44.933 1.00 0.00 H new ATOM 0 HB2 ARG A 35 136.488 95.276 44.302 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.386 95.711 45.996 1.00 0.00 H new ATOM 0 HG2 ARG A 35 138.263 97.503 45.315 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.606 97.266 43.708 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.549 98.243 44.247 1.00 0.00 H new ATOM 0 HD3 ARG A 35 135.604 97.708 45.915 1.00 0.00 H new ATOM 0 HE ARG A 35 137.268 100.013 44.827 1.00 0.00 H new ATOM 0 HH11 ARG A 35 137.728 101.549 46.397 1.00 0.00 H new ATOM 0 HH12 ARG A 35 137.093 101.362 48.035 1.00 0.00 H new ATOM 0 HH21 ARG A 35 135.501 98.330 47.349 1.00 0.00 H new ATOM 0 HH22 ARG A 35 135.846 99.561 48.568 1.00 0.00 H new ATOM 541 N ARG A 36 138.191 93.769 47.455 1.00 0.00 N ATOM 542 CA ARG A 36 138.238 93.694 48.912 1.00 0.00 C ATOM 543 C ARG A 36 137.223 94.713 49.382 1.00 0.00 C ATOM 544 O ARG A 36 137.421 95.427 50.343 1.00 0.00 O ATOM 545 CB ARG A 36 139.629 94.033 49.446 1.00 0.00 C ATOM 546 CG ARG A 36 140.381 92.722 49.699 1.00 0.00 C ATOM 547 CD ARG A 36 140.456 91.926 48.388 1.00 0.00 C ATOM 548 NE ARG A 36 141.102 90.594 48.613 1.00 0.00 N ATOM 549 CZ ARG A 36 142.315 90.389 48.160 1.00 0.00 C ATOM 550 NH1 ARG A 36 142.920 89.247 48.343 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 142.926 91.336 47.510 1.00 0.00 N ATOM 0 H ARG A 36 137.914 92.916 46.969 1.00 0.00 H new ATOM 0 HA ARG A 36 138.018 92.689 49.271 1.00 0.00 H new ATOM 0 HB2 ARG A 36 140.171 94.649 48.729 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.552 94.610 50.367 1.00 0.00 H new ATOM 0 HG2 ARG A 36 141.384 92.930 50.071 1.00 0.00 H new ATOM 0 HG3 ARG A 36 139.871 92.138 50.465 1.00 0.00 H new ATOM 0 HD2 ARG A 36 139.453 91.786 47.984 1.00 0.00 H new ATOM 0 HD3 ARG A 36 141.022 92.490 47.647 1.00 0.00 H new ATOM 0 HE ARG A 36 140.605 89.856 49.112 1.00 0.00 H new ATOM 0 HH11 ARG A 36 142.449 88.495 48.846 1.00 0.00 H new ATOM 0 HH12 ARG A 36 143.864 89.106 47.983 1.00 0.00 H new ATOM 0 HH21 ARG A 36 142.461 92.231 47.356 1.00 0.00 H new ATOM 0 HH22 ARG A 36 143.870 91.184 47.155 1.00 0.00 H new ATOM 565 N GLY A 37 136.069 94.716 48.786 1.00 0.00 N ATOM 566 CA GLY A 37 135.023 95.625 49.329 1.00 0.00 C ATOM 567 C GLY A 37 133.659 95.172 48.821 1.00 0.00 C ATOM 568 O GLY A 37 132.938 94.450 49.481 1.00 0.00 O ATOM 0 H GLY A 37 135.807 94.153 47.977 1.00 0.00 H new ATOM 0 HA2 GLY A 37 135.042 95.612 50.419 1.00 0.00 H new ATOM 0 HA3 GLY A 37 135.218 96.651 49.019 1.00 0.00 H new ATOM 572 N ILE A 38 133.311 95.593 47.645 1.00 0.00 N ATOM 573 CA ILE A 38 132.007 95.205 47.051 1.00 0.00 C ATOM 574 C ILE A 38 131.799 93.699 47.165 1.00 0.00 C ATOM 575 O ILE A 38 130.708 93.223 47.388 1.00 0.00 O ATOM 576 CB ILE A 38 132.038 95.593 45.574 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.630 95.470 44.982 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.028 94.686 44.799 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.692 95.646 43.457 1.00 0.00 C ATOM 0 H ILE A 38 133.884 96.200 47.059 1.00 0.00 H new ATOM 0 HA ILE A 38 131.195 95.708 47.575 1.00 0.00 H new ATOM 0 HB ILE A 38 132.376 96.625 45.483 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.205 94.497 45.228 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.974 96.224 45.418 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.039 94.974 43.748 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.028 94.799 45.217 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.713 93.646 44.886 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.689 95.558 43.039 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.098 96.629 43.220 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.333 94.876 43.028 1.00 0.00 H new ATOM 591 N VAL A 39 132.844 92.957 46.975 1.00 0.00 N ATOM 592 CA VAL A 39 132.758 91.487 47.017 1.00 0.00 C ATOM 593 C VAL A 39 132.574 90.990 48.449 1.00 0.00 C ATOM 594 O VAL A 39 131.598 90.343 48.775 1.00 0.00 O ATOM 595 CB VAL A 39 134.081 90.973 46.457 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.248 89.489 46.762 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.127 91.220 44.945 1.00 0.00 C ATOM 0 H VAL A 39 133.778 93.322 46.787 1.00 0.00 H new ATOM 0 HA VAL A 39 131.904 91.131 46.441 1.00 0.00 H new ATOM 0 HB VAL A 39 134.903 91.510 46.931 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.197 89.139 46.356 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.237 89.336 47.841 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.430 88.930 46.308 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.072 90.853 44.545 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.301 90.695 44.465 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.040 92.289 44.748 1.00 0.00 H new ATOM 607 N GLU A 40 133.512 91.266 49.296 1.00 0.00 N ATOM 608 CA GLU A 40 133.410 90.792 50.697 1.00 0.00 C ATOM 609 C GLU A 40 132.063 91.202 51.296 1.00 0.00 C ATOM 610 O GLU A 40 131.553 90.555 52.188 1.00 0.00 O ATOM 611 CB GLU A 40 134.551 91.395 51.506 1.00 0.00 C ATOM 612 CG GLU A 40 135.871 91.182 50.760 1.00 0.00 C ATOM 613 CD GLU A 40 137.040 91.436 51.713 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.095 92.518 52.276 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.858 90.545 51.866 1.00 0.00 O1- ATOM 0 H GLU A 40 134.352 91.803 49.080 1.00 0.00 H new ATOM 0 HA GLU A 40 133.479 89.704 50.722 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.377 92.459 51.663 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.598 90.931 52.491 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.921 90.166 50.369 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.931 91.856 49.905 1.00 0.00 H new ATOM 622 N GLN A 41 131.478 92.268 50.817 1.00 0.00 N ATOM 623 CA GLN A 41 130.158 92.712 51.364 1.00 0.00 C ATOM 624 C GLN A 41 129.027 92.119 50.517 1.00 0.00 C ATOM 625 O GLN A 41 127.974 91.785 51.018 1.00 0.00 O ATOM 626 CB GLN A 41 130.079 94.240 51.320 1.00 0.00 C ATOM 627 CG GLN A 41 128.879 94.715 52.144 1.00 0.00 C ATOM 628 CD GLN A 41 128.894 96.243 52.236 1.00 0.00 C ATOM 629 OE1 GLN A 41 129.219 96.798 53.266 1.00 0.00 O ATOM 630 NE2 GLN A 41 128.552 96.950 51.194 1.00 0.00 N ATOM 0 H GLN A 41 131.856 92.852 50.071 1.00 0.00 H new ATOM 0 HA GLN A 41 130.057 92.370 52.394 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.998 94.673 51.714 1.00 0.00 H new ATOM 0 HB3 GLN A 41 129.983 94.580 50.289 1.00 0.00 H new ATOM 0 HG2 GLN A 41 127.951 94.377 51.682 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.915 94.280 53.143 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.279 96.484 50.329 1.00 0.00 H new ATOM 0 HE22 GLN A 41 128.558 97.969 51.245 1.00 0.00 H new ATOM 639 N CYS A 42 129.239 91.990 49.234 1.00 0.00 N ATOM 640 CA CYS A 42 128.176 91.428 48.350 1.00 0.00 C ATOM 641 C CYS A 42 128.222 89.898 48.395 1.00 0.00 C ATOM 642 O CYS A 42 127.220 89.240 48.588 1.00 0.00 O ATOM 643 CB CYS A 42 128.412 91.901 46.913 1.00 0.00 C ATOM 644 SG CYS A 42 127.101 91.285 45.827 1.00 0.00 S ATOM 0 H CYS A 42 130.104 92.250 48.759 1.00 0.00 H new ATOM 0 HA CYS A 42 127.200 91.769 48.695 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.439 92.990 46.881 1.00 0.00 H new ATOM 0 HB3 CYS A 42 129.381 91.548 46.561 1.00 0.00 H new ATOM 649 N CYS A 43 129.381 89.329 48.208 1.00 0.00 N ATOM 650 CA CYS A 43 129.498 87.843 48.228 1.00 0.00 C ATOM 651 C CYS A 43 129.149 87.308 49.621 1.00 0.00 C ATOM 652 O CYS A 43 128.767 86.165 49.773 1.00 0.00 O ATOM 653 CB CYS A 43 130.932 87.445 47.875 1.00 0.00 C ATOM 654 SG CYS A 43 131.049 85.642 47.760 1.00 0.00 S ATOM 0 H CYS A 43 130.254 89.830 48.042 1.00 0.00 H new ATOM 0 HA CYS A 43 128.807 87.419 47.500 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.224 87.900 46.929 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.621 87.817 48.633 1.00 0.00 H new ATOM 659 N HIS A 44 129.284 88.120 50.642 1.00 0.00 N ATOM 660 CA HIS A 44 128.967 87.655 52.031 1.00 0.00 C ATOM 661 C HIS A 44 127.605 88.201 52.470 1.00 0.00 C ATOM 662 O HIS A 44 126.918 87.595 53.268 1.00 0.00 O ATOM 663 CB HIS A 44 130.042 88.166 52.996 1.00 0.00 C ATOM 664 CG HIS A 44 129.928 87.435 54.305 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.117 86.320 54.461 1.00 0.00 N ATOM 666 CD2 HIS A 44 130.514 87.646 55.529 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.234 85.906 55.736 1.00 0.00 C ATOM 668 NE2 HIS A 44 130.073 86.680 56.427 1.00 0.00 N ATOM 0 H HIS A 44 129.601 89.087 50.574 1.00 0.00 H new ATOM 0 HA HIS A 44 128.941 86.565 52.042 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.033 88.014 52.567 1.00 0.00 H new ATOM 0 HB3 HIS A 44 129.924 89.238 53.154 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.210 88.439 55.759 1.00 0.00 H new ATOM 0 HE1 HIS A 44 128.714 85.054 56.148 1.00 0.00 H new ATOM 0 HE2 HIS A 44 130.336 86.583 57.408 1.00 0.00 H new ATOM 677 N SER A 45 127.214 89.345 51.963 1.00 0.00 N ATOM 678 CA SER A 45 125.895 89.942 52.358 1.00 0.00 C ATOM 679 C SER A 45 125.154 90.430 51.113 1.00 0.00 C ATOM 680 O SER A 45 125.576 90.208 49.995 1.00 0.00 O ATOM 681 CB SER A 45 126.136 91.127 53.303 1.00 0.00 C ATOM 682 OG SER A 45 124.969 91.349 54.081 1.00 0.00 O ATOM 0 H SER A 45 127.751 89.894 51.291 1.00 0.00 H new ATOM 0 HA SER A 45 125.294 89.185 52.862 1.00 0.00 H new ATOM 0 HB2 SER A 45 126.987 90.922 53.953 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.381 92.021 52.729 1.00 0.00 H new ATOM 0 HG SER A 45 125.119 92.104 54.687 1.00 0.00 H new ATOM 688 N ILE A 46 124.053 91.101 51.305 1.00 0.00 N ATOM 689 CA ILE A 46 123.278 91.616 50.145 1.00 0.00 C ATOM 690 C ILE A 46 124.126 92.680 49.439 1.00 0.00 C ATOM 691 O ILE A 46 125.206 93.010 49.890 1.00 0.00 O ATOM 692 CB ILE A 46 121.950 92.225 50.640 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.249 91.273 51.631 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.014 92.490 49.459 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.540 90.134 50.886 1.00 0.00 C ATOM 0 H ILE A 46 123.656 91.315 52.220 1.00 0.00 H new ATOM 0 HA ILE A 46 123.046 90.809 49.449 1.00 0.00 H new ATOM 0 HB ILE A 46 122.180 93.164 51.144 1.00 0.00 H new ATOM 0 HG12 ILE A 46 121.981 90.859 52.324 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.525 91.830 52.226 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.081 92.920 49.824 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.489 93.186 48.768 1.00 0.00 H new ATOM 0 HG23 ILE A 46 120.805 91.553 48.943 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.053 89.476 51.606 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.792 90.551 50.211 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.271 89.565 50.311 1.00 0.00 H new ATOM 707 N CYS A 47 123.668 93.206 48.329 1.00 0.00 N ATOM 708 CA CYS A 47 124.474 94.233 47.588 1.00 0.00 C ATOM 709 C CYS A 47 123.563 95.374 47.111 1.00 0.00 C ATOM 710 O CYS A 47 122.440 95.158 46.697 1.00 0.00 O ATOM 711 CB CYS A 47 125.151 93.549 46.383 1.00 0.00 C ATOM 712 SG CYS A 47 125.378 91.788 46.750 1.00 0.00 S ATOM 0 H CYS A 47 122.772 92.970 47.902 1.00 0.00 H new ATOM 0 HA CYS A 47 125.233 94.656 48.246 1.00 0.00 H new ATOM 0 HB2 CYS A 47 124.539 93.671 45.489 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.114 94.017 46.177 1.00 0.00 H new ATOM 717 N SER A 48 124.047 96.589 47.168 1.00 0.00 N ATOM 718 CA SER A 48 123.229 97.760 46.722 1.00 0.00 C ATOM 719 C SER A 48 123.536 98.067 45.256 1.00 0.00 C ATOM 720 O SER A 48 124.625 97.834 44.779 1.00 0.00 O ATOM 721 CB SER A 48 123.584 98.980 47.581 1.00 0.00 C ATOM 722 OG SER A 48 122.840 98.934 48.792 1.00 0.00 O ATOM 0 H SER A 48 124.980 96.822 47.507 1.00 0.00 H new ATOM 0 HA SER A 48 122.169 97.529 46.831 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.652 98.989 47.797 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.361 99.899 47.038 1.00 0.00 H new ATOM 0 HG SER A 48 123.066 99.711 49.344 1.00 0.00 H new ATOM 728 N LEU A 49 122.585 98.609 44.551 1.00 0.00 N ATOM 729 CA LEU A 49 122.797 98.969 43.136 1.00 0.00 C ATOM 730 C LEU A 49 123.477 100.335 43.122 1.00 0.00 C ATOM 731 O LEU A 49 124.405 100.595 42.384 1.00 0.00 O ATOM 732 CB LEU A 49 121.415 98.991 42.450 1.00 0.00 C ATOM 733 CG LEU A 49 121.320 100.059 41.356 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.362 99.803 40.259 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.923 100.004 40.746 1.00 0.00 C ATOM 0 H LEU A 49 121.653 98.819 44.909 1.00 0.00 H new ATOM 0 HA LEU A 49 123.428 98.261 42.599 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.213 98.012 42.016 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.644 99.173 43.199 1.00 0.00 H new ATOM 0 HG LEU A 49 121.510 101.040 41.792 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.278 100.572 39.491 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.361 99.831 40.693 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.187 98.824 39.812 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.837 100.759 39.964 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.752 99.017 40.317 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.180 100.197 41.520 1.00 0.00 H new ATOM 747 N GLU A 50 123.010 101.195 43.968 1.00 0.00 N ATOM 748 CA GLU A 50 123.588 102.551 44.071 1.00 0.00 C ATOM 749 C GLU A 50 125.063 102.407 44.341 1.00 0.00 C ATOM 750 O GLU A 50 125.875 103.264 44.055 1.00 0.00 O ATOM 751 CB GLU A 50 122.915 103.238 45.244 1.00 0.00 C ATOM 752 CG GLU A 50 121.419 103.339 44.967 1.00 0.00 C ATOM 753 CD GLU A 50 120.784 104.358 45.918 1.00 0.00 C ATOM 754 OE1 GLU A 50 121.379 105.405 46.115 1.00 0.00 O ATOM 755 OE2 GLU A 50 119.715 104.074 46.431 1.00 0.00 O1- ATOM 0 H GLU A 50 122.236 101.012 44.606 1.00 0.00 H new ATOM 0 HA GLU A 50 123.439 103.130 43.159 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.091 102.676 46.161 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.339 104.231 45.392 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.251 103.639 43.933 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.949 102.364 45.097 1.00 0.00 H new ATOM 762 N GLN A 51 125.384 101.305 44.906 1.00 0.00 N ATOM 763 CA GLN A 51 126.792 101.000 45.253 1.00 0.00 C ATOM 764 C GLN A 51 127.557 100.544 44.002 1.00 0.00 C ATOM 765 O GLN A 51 128.757 100.655 43.942 1.00 0.00 O ATOM 766 CB GLN A 51 126.799 99.896 46.318 1.00 0.00 C ATOM 767 CG GLN A 51 128.208 99.326 46.478 1.00 0.00 C ATOM 768 CD GLN A 51 128.285 98.503 47.766 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.621 97.336 47.736 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.989 99.068 48.904 1.00 0.00 N ATOM 0 H GLN A 51 124.718 100.574 45.154 1.00 0.00 H new ATOM 0 HA GLN A 51 127.284 101.891 45.643 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.451 100.297 47.270 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.108 99.102 46.034 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.458 98.702 45.620 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.938 100.135 46.507 1.00 0.00 H new ATOM 0 HE21 GLN A 51 127.707 100.048 48.929 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.040 98.530 49.769 1.00 0.00 H new ATOM 779 N LEU A 52 126.887 100.042 42.998 1.00 0.00 N ATOM 780 CA LEU A 52 127.606 99.604 41.768 1.00 0.00 C ATOM 781 C LEU A 52 127.790 100.818 40.855 1.00 0.00 C ATOM 782 O LEU A 52 128.766 100.953 40.152 1.00 0.00 O ATOM 783 CB LEU A 52 126.733 98.588 41.020 1.00 0.00 C ATOM 784 CG LEU A 52 126.246 97.494 41.937 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.282 96.613 41.147 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.413 96.659 42.424 1.00 0.00 C ATOM 0 H LEU A 52 125.875 99.917 42.978 1.00 0.00 H new ATOM 0 HA LEU A 52 128.567 99.165 42.035 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.879 99.099 40.576 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.304 98.150 40.201 1.00 0.00 H new ATOM 0 HG LEU A 52 125.749 97.928 42.804 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.914 95.812 41.787 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.442 97.214 40.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.801 96.183 40.290 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.047 95.873 43.085 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.919 96.209 41.570 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.113 97.294 42.968 1.00 0.00 H new ATOM 798 N GLU A 53 126.813 101.676 40.838 1.00 0.00 N ATOM 799 CA GLU A 53 126.854 102.864 39.960 1.00 0.00 C ATOM 800 C GLU A 53 128.087 103.723 40.258 1.00 0.00 C ATOM 801 O GLU A 53 128.509 104.521 39.445 1.00 0.00 O ATOM 802 CB GLU A 53 125.552 103.653 40.201 1.00 0.00 C ATOM 803 CG GLU A 53 124.504 103.311 39.131 1.00 0.00 C ATOM 804 CD GLU A 53 123.280 104.212 39.313 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.465 103.903 40.167 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.181 105.192 38.595 1.00 0.00 O1- ATOM 0 H GLU A 53 125.972 101.598 41.410 1.00 0.00 H new ATOM 0 HA GLU A 53 126.929 102.567 38.914 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.158 103.421 41.190 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.761 104.723 40.184 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.926 103.449 38.136 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.214 102.263 39.212 1.00 0.00 H new ATOM 813 N ASN A 54 128.672 103.562 41.403 1.00 0.00 N ATOM 814 CA ASN A 54 129.884 104.363 41.743 1.00 0.00 C ATOM 815 C ASN A 54 131.122 103.622 41.237 1.00 0.00 C ATOM 816 O ASN A 54 132.228 104.118 41.301 1.00 0.00 O ATOM 817 CB ASN A 54 129.973 104.531 43.261 1.00 0.00 C ATOM 818 CG ASN A 54 128.633 105.027 43.797 1.00 0.00 C ATOM 819 OD1 ASN A 54 127.843 105.597 43.068 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.338 104.836 45.053 1.00 0.00 N ATOM 0 H ASN A 54 128.367 102.909 42.125 1.00 0.00 H new ATOM 0 HA ASN A 54 129.824 105.346 41.276 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.235 103.582 43.728 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.762 105.239 43.514 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.446 105.164 45.423 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.999 104.358 45.665 1.00 0.00 H new ATOM 827 N TYR A 55 130.941 102.414 40.775 1.00 0.00 N ATOM 828 CA TYR A 55 132.102 101.601 40.307 1.00 0.00 C ATOM 829 C TYR A 55 132.379 101.860 38.828 1.00 0.00 C ATOM 830 O TYR A 55 133.483 101.674 38.354 1.00 0.00 O ATOM 831 CB TYR A 55 131.792 100.115 40.498 1.00 0.00 C ATOM 832 CG TYR A 55 131.925 99.776 41.946 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.208 100.481 42.894 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.796 98.784 42.331 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.362 100.189 44.237 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.952 98.479 43.673 1.00 0.00 C ATOM 837 CZ TYR A 55 132.234 99.184 44.638 1.00 0.00 C ATOM 838 OH TYR A 55 132.393 98.896 45.978 1.00 0.00 O ATOM 0 H TYR A 55 130.034 101.953 40.701 1.00 0.00 H new ATOM 0 HA TYR A 55 132.979 101.883 40.889 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.783 99.892 40.150 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.475 99.508 39.904 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.527 101.261 42.586 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.359 98.242 41.586 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.803 100.744 44.976 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.631 97.694 43.972 1.00 0.00 H new ATOM 0 HH TYR A 55 131.560 99.093 46.456 1.00 0.00 H new ATOM 848 N CYS A 56 131.390 102.263 38.087 1.00 0.00 N ATOM 849 CA CYS A 56 131.609 102.502 36.636 1.00 0.00 C ATOM 850 C CYS A 56 132.863 103.367 36.439 1.00 0.00 C ATOM 851 O CYS A 56 132.878 104.536 36.769 1.00 0.00 O ATOM 852 CB CYS A 56 130.387 103.216 36.042 1.00 0.00 C ATOM 853 SG CYS A 56 128.878 102.707 36.905 1.00 0.00 S ATOM 0 H CYS A 56 130.442 102.437 38.421 1.00 0.00 H new ATOM 0 HA CYS A 56 131.749 101.547 36.129 1.00 0.00 H new ATOM 0 HB2 CYS A 56 130.513 104.296 36.123 1.00 0.00 H new ATOM 0 HB3 CYS A 56 130.302 102.984 34.980 1.00 0.00 H new ATOM 858 N ASN A 57 133.907 102.799 35.903 1.00 0.00 N ATOM 859 CA ASN A 57 135.156 103.586 35.683 1.00 0.00 C ATOM 860 C ASN A 57 135.525 104.328 36.970 1.00 0.00 C ATOM 861 O ASN A 57 135.924 103.671 37.917 1.00 0.00 O ATOM 862 CB ASN A 57 134.931 104.597 34.558 1.00 0.00 C ATOM 863 CG ASN A 57 136.217 105.395 34.325 1.00 0.00 C ATOM 864 OD1 ASN A 57 137.146 104.905 33.711 1.00 0.00 O ATOM 865 ND2 ASN A 57 136.310 106.610 34.790 1.00 0.00 N ATOM 866 OXT ASN A 57 135.402 105.542 36.985 1.00 0.00 O ATOM 0 H ASN A 57 133.951 101.824 35.607 1.00 0.00 H new ATOM 0 HA ASN A 57 135.966 102.911 35.408 1.00 0.00 H new ATOM 0 HB2 ASN A 57 134.640 104.081 33.643 1.00 0.00 H new ATOM 0 HB3 ASN A 57 134.114 105.271 34.818 1.00 0.00 H new ATOM 0 HD21 ASN A 57 137.162 107.150 34.639 1.00 0.00 H new ATOM 0 HD22 ASN A 57 135.531 107.020 35.305 1.00 0.00 H new TER 873 ASN A 57