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+ -142:sc= 0.202 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.31) USER MOD Single : A 4 GLN : amide:sc= -3.9! K(o=-3.9!,f=-0.57) USER MOD Single : A 5 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00735 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 45:sc= 0.14! USER MOD Single : A 30 THR OG1 : rot 137:sc= -0.627! USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.973! C(o=-0.97!,f=-2.3!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.36) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.684 USER MOD Single : A 57 ASN : amide:sc= -1.24 X(o=-1.2,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.726 91.867 39.275 1.00 0.00 N ATOM 2 CA PHE A 1 120.247 91.289 40.551 1.00 0.00 C ATOM 3 C PHE A 1 119.414 91.798 41.718 1.00 0.00 C ATOM 4 O PHE A 1 119.811 92.739 42.366 1.00 0.00 O ATOM 5 CB PHE A 1 121.741 91.679 40.774 1.00 0.00 C ATOM 6 CG PHE A 1 121.965 93.187 40.940 1.00 0.00 C ATOM 7 CD1 PHE A 1 121.834 93.808 42.198 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.347 93.954 39.833 1.00 0.00 C ATOM 9 CE1 PHE A 1 122.083 95.182 42.333 1.00 0.00 C ATOM 10 CE2 PHE A 1 122.590 95.326 39.972 1.00 0.00 C ATOM 11 CZ PHE A 1 122.460 95.934 41.217 1.00 0.00 C ATOM 0 H1 PHE A 1 119.776 91.150 38.523 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.738 92.163 39.406 1.00 0.00 H new ATOM 0 H3 PHE A 1 120.301 92.691 39.007 1.00 0.00 H new ATOM 0 HA PHE A 1 120.178 90.203 40.488 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.113 91.165 41.660 1.00 0.00 H new ATOM 0 HB3 PHE A 1 122.330 91.324 39.929 1.00 0.00 H new ATOM 0 HD1 PHE A 1 121.542 93.226 43.059 1.00 0.00 H new ATOM 0 HD2 PHE A 1 122.455 93.485 38.866 1.00 0.00 H new ATOM 0 HE1 PHE A 1 121.984 95.658 43.297 1.00 0.00 H new ATOM 0 HE2 PHE A 1 122.879 95.913 39.112 1.00 0.00 H new ATOM 0 HZ PHE A 1 122.651 96.992 41.321 1.00 0.00 H new ATOM 23 N VAL A 2 118.244 91.242 42.005 1.00 0.00 N ATOM 24 CA VAL A 2 117.498 91.837 43.145 1.00 0.00 C ATOM 25 C VAL A 2 118.396 91.831 44.385 1.00 0.00 C ATOM 26 O VAL A 2 119.438 91.207 44.402 1.00 0.00 O ATOM 27 CB VAL A 2 116.229 91.020 43.413 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.609 89.579 43.762 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.448 91.642 44.578 1.00 0.00 C ATOM 0 H VAL A 2 117.808 90.454 41.526 1.00 0.00 H new ATOM 0 HA VAL A 2 117.213 92.862 42.907 1.00 0.00 H new ATOM 0 HB VAL A 2 115.605 91.023 42.519 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.705 89.000 43.952 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.156 89.135 42.930 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.237 89.574 44.653 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.547 91.058 44.765 1.00 0.00 H new ATOM 0 HG22 VAL A 2 116.070 91.645 45.473 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.171 92.665 44.325 1.00 0.00 H new ATOM 39 N ASN A 3 118.012 92.524 45.419 1.00 0.00 N ATOM 40 CA ASN A 3 118.856 92.557 46.649 1.00 0.00 C ATOM 41 C ASN A 3 119.175 91.128 47.103 1.00 0.00 C ATOM 42 O ASN A 3 118.337 90.437 47.646 1.00 0.00 O ATOM 43 CB ASN A 3 118.103 93.299 47.759 1.00 0.00 C ATOM 44 CG ASN A 3 117.361 94.487 47.159 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.213 94.728 47.476 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.973 95.247 46.298 1.00 0.00 N ATOM 0 H ASN A 3 117.151 93.069 45.468 1.00 0.00 H new ATOM 0 HA ASN A 3 119.791 93.075 46.433 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.399 92.626 48.249 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.802 93.640 48.523 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.489 96.046 45.888 1.00 0.00 H new ATOM 0 HD22 ASN A 3 118.937 95.044 46.033 1.00 0.00 H new ATOM 53 N GLN A 4 120.387 90.683 46.893 1.00 0.00 N ATOM 54 CA GLN A 4 120.758 89.305 47.321 1.00 0.00 C ATOM 55 C GLN A 4 122.281 89.157 47.326 1.00 0.00 C ATOM 56 O GLN A 4 123.009 90.129 47.358 1.00 0.00 O ATOM 57 CB GLN A 4 120.143 88.281 46.367 1.00 0.00 C ATOM 58 CG GLN A 4 120.826 88.361 44.994 1.00 0.00 C ATOM 59 CD GLN A 4 120.017 87.563 43.970 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.576 86.910 43.113 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.715 87.588 44.022 1.00 0.00 N ATOM 0 H GLN A 4 121.133 91.214 46.444 1.00 0.00 H new ATOM 0 HA GLN A 4 120.377 89.130 48.327 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.253 87.278 46.778 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.074 88.467 46.261 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.907 89.401 44.677 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.840 87.967 45.058 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.244 88.136 44.742 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.167 87.059 43.343 1.00 0.00 H new ATOM 70 N HIS A 5 122.770 87.943 47.297 1.00 0.00 N ATOM 71 CA HIS A 5 124.249 87.724 47.302 1.00 0.00 C ATOM 72 C HIS A 5 124.747 87.552 45.867 1.00 0.00 C ATOM 73 O HIS A 5 124.186 86.808 45.088 1.00 0.00 O ATOM 74 CB HIS A 5 124.571 86.465 48.107 1.00 0.00 C ATOM 75 CG HIS A 5 123.843 85.289 47.518 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.379 84.529 46.487 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.623 84.728 47.804 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.491 83.559 46.195 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.407 83.638 46.969 1.00 0.00 N ATOM 0 H HIS A 5 122.208 87.092 47.270 1.00 0.00 H new ATOM 0 HA HIS A 5 124.742 88.584 47.755 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.645 86.281 48.099 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.279 86.602 49.148 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.937 85.079 48.561 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.638 82.811 45.430 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.591 83.027 46.952 1.00 0.00 H new ATOM 88 N LEU A 6 125.805 88.240 45.516 1.00 0.00 N ATOM 89 CA LEU A 6 126.373 88.143 44.132 1.00 0.00 C ATOM 90 C LEU A 6 127.880 87.860 44.243 1.00 0.00 C ATOM 91 O LEU A 6 128.640 88.687 44.705 1.00 0.00 O ATOM 92 CB LEU A 6 126.137 89.491 43.401 1.00 0.00 C ATOM 93 CG LEU A 6 125.136 89.364 42.233 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.867 88.594 42.662 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.755 90.784 41.771 1.00 0.00 C ATOM 0 H LEU A 6 126.307 88.874 46.137 1.00 0.00 H new ATOM 0 HA LEU A 6 125.892 87.341 43.571 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.766 90.227 44.114 1.00 0.00 H new ATOM 0 HB3 LEU A 6 127.088 89.866 43.021 1.00 0.00 H new ATOM 0 HG LEU A 6 125.600 88.805 41.421 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.182 88.522 41.817 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.143 87.593 42.992 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.379 89.124 43.480 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.047 90.720 40.945 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.298 91.326 42.599 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.650 91.312 41.442 1.00 0.00 H new ATOM 107 N CYS A 7 128.310 86.699 43.813 1.00 0.00 N ATOM 108 CA CYS A 7 129.766 86.345 43.876 1.00 0.00 C ATOM 109 C CYS A 7 130.210 85.876 42.483 1.00 0.00 C ATOM 110 O CYS A 7 129.431 85.327 41.729 1.00 0.00 O ATOM 111 CB CYS A 7 129.973 85.231 44.924 1.00 0.00 C ATOM 112 SG CYS A 7 131.479 85.558 45.881 1.00 0.00 S ATOM 0 H CYS A 7 127.711 85.974 43.418 1.00 0.00 H new ATOM 0 HA CYS A 7 130.363 87.208 44.171 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.112 85.181 45.590 1.00 0.00 H new ATOM 0 HB3 CYS A 7 130.049 84.263 44.429 1.00 0.00 H new ATOM 117 N GLY A 8 131.444 86.108 42.126 1.00 0.00 N ATOM 118 CA GLY A 8 131.911 85.695 40.770 1.00 0.00 C ATOM 119 C GLY A 8 131.448 86.752 39.767 1.00 0.00 C ATOM 120 O GLY A 8 130.971 87.798 40.150 1.00 0.00 O ATOM 0 H GLY A 8 132.146 86.563 42.710 1.00 0.00 H new ATOM 0 HA2 GLY A 8 132.997 85.604 40.753 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.505 84.718 40.508 1.00 0.00 H new ATOM 124 N SER A 9 131.570 86.505 38.492 1.00 0.00 N ATOM 125 CA SER A 9 131.114 87.535 37.518 1.00 0.00 C ATOM 126 C SER A 9 129.615 87.781 37.710 1.00 0.00 C ATOM 127 O SER A 9 129.083 88.772 37.257 1.00 0.00 O ATOM 128 CB SER A 9 131.405 87.089 36.088 1.00 0.00 C ATOM 129 OG SER A 9 131.093 85.709 35.946 1.00 0.00 O ATOM 0 H SER A 9 131.958 85.652 38.088 1.00 0.00 H new ATOM 0 HA SER A 9 131.657 88.463 37.696 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.817 87.679 35.385 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.454 87.261 35.849 1.00 0.00 H new ATOM 0 HG SER A 9 131.279 85.425 35.027 1.00 0.00 H new ATOM 135 N HIS A 10 128.921 86.916 38.414 1.00 0.00 N ATOM 136 CA HIS A 10 127.469 87.182 38.650 1.00 0.00 C ATOM 137 C HIS A 10 127.385 88.584 39.226 1.00 0.00 C ATOM 138 O HIS A 10 126.407 89.289 39.076 1.00 0.00 O ATOM 139 CB HIS A 10 126.891 86.179 39.655 1.00 0.00 C ATOM 140 CG HIS A 10 126.692 84.851 38.979 1.00 0.00 C ATOM 141 ND1 HIS A 10 127.748 83.987 38.719 1.00 0.00 N ATOM 142 CD2 HIS A 10 125.568 84.222 38.499 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.242 82.898 38.110 1.00 0.00 C ATOM 144 NE2 HIS A 10 125.921 82.994 37.953 1.00 0.00 N ATOM 0 H HIS A 10 129.288 86.058 38.826 1.00 0.00 H new ATOM 0 HA HIS A 10 126.901 87.086 37.725 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.565 86.069 40.504 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.942 86.546 40.046 1.00 0.00 H new ATOM 0 HD2 HIS A 10 124.565 84.621 38.540 1.00 0.00 H new ATOM 0 HE1 HIS A 10 127.832 82.052 37.789 1.00 0.00 H new ATOM 0 HE2 HIS A 10 125.300 82.309 37.522 1.00 0.00 H new ATOM 153 N LEU A 11 128.452 88.996 39.853 1.00 0.00 N ATOM 154 CA LEU A 11 128.527 90.340 40.413 1.00 0.00 C ATOM 155 C LEU A 11 128.883 91.278 39.268 1.00 0.00 C ATOM 156 O LEU A 11 128.255 92.296 39.055 1.00 0.00 O ATOM 157 CB LEU A 11 129.622 90.341 41.467 1.00 0.00 C ATOM 158 CG LEU A 11 129.932 91.762 41.898 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.638 92.513 42.239 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.859 91.726 43.115 1.00 0.00 C ATOM 0 H LEU A 11 129.288 88.429 39.995 1.00 0.00 H new ATOM 0 HA LEU A 11 127.590 90.656 40.872 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.308 89.752 42.329 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.521 89.870 41.069 1.00 0.00 H new ATOM 0 HG LEU A 11 130.425 92.287 41.080 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.878 93.531 42.546 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.992 92.542 41.362 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.123 92.001 43.052 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.086 92.745 43.430 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.368 91.195 43.931 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.784 91.213 42.853 1.00 0.00 H new ATOM 172 N VAL A 12 129.878 90.915 38.498 1.00 0.00 N ATOM 173 CA VAL A 12 130.266 91.755 37.334 1.00 0.00 C ATOM 174 C VAL A 12 129.028 92.104 36.556 1.00 0.00 C ATOM 175 O VAL A 12 128.836 93.222 36.128 1.00 0.00 O ATOM 176 CB VAL A 12 131.154 90.962 36.362 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.215 91.711 35.008 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.554 90.787 36.946 1.00 0.00 C ATOM 0 H VAL A 12 130.436 90.072 38.629 1.00 0.00 H new ATOM 0 HA VAL A 12 130.790 92.632 37.714 1.00 0.00 H new ATOM 0 HB VAL A 12 130.730 89.970 36.205 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.843 91.155 34.312 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.210 91.801 34.596 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.635 92.705 35.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.172 90.224 36.247 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.001 91.766 37.118 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.489 90.246 37.890 1.00 0.00 H new ATOM 188 N GLU A 13 128.223 91.124 36.300 1.00 0.00 N ATOM 189 CA GLU A 13 127.045 91.366 35.482 1.00 0.00 C ATOM 190 C GLU A 13 126.334 92.600 35.974 1.00 0.00 C ATOM 191 O GLU A 13 126.197 93.567 35.265 1.00 0.00 O ATOM 192 CB GLU A 13 126.105 90.187 35.568 1.00 0.00 C ATOM 193 CG GLU A 13 125.167 90.216 34.363 1.00 0.00 C ATOM 194 CD GLU A 13 124.009 89.241 34.583 1.00 0.00 C ATOM 195 OE1 GLU A 13 122.877 89.697 34.623 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.273 88.057 34.707 1.00 0.00 O1- ATOM 0 H GLU A 13 128.341 90.166 36.629 1.00 0.00 H new ATOM 0 HA GLU A 13 127.356 91.506 34.447 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.670 89.255 35.584 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.531 90.229 36.494 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.782 91.225 34.215 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.713 89.948 33.459 1.00 0.00 H new ATOM 203 N ALA A 14 125.915 92.572 37.205 1.00 0.00 N ATOM 204 CA ALA A 14 125.219 93.740 37.780 1.00 0.00 C ATOM 205 C ALA A 14 125.990 94.985 37.398 1.00 0.00 C ATOM 206 O ALA A 14 125.494 95.827 36.686 1.00 0.00 O ATOM 207 CB ALA A 14 125.200 93.602 39.301 1.00 0.00 C ATOM 0 H ALA A 14 126.028 91.781 37.839 1.00 0.00 H new ATOM 0 HA ALA A 14 124.197 93.802 37.406 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.688 94.460 39.738 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.676 92.687 39.577 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.223 93.561 39.675 1.00 0.00 H new ATOM 213 N LEU A 15 127.218 95.077 37.821 1.00 0.00 N ATOM 214 CA LEU A 15 128.044 96.249 37.446 1.00 0.00 C ATOM 215 C LEU A 15 127.871 96.512 35.951 1.00 0.00 C ATOM 216 O LEU A 15 127.650 97.625 35.534 1.00 0.00 O ATOM 217 CB LEU A 15 129.517 95.941 37.742 1.00 0.00 C ATOM 218 CG LEU A 15 129.743 95.893 39.263 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.912 94.961 39.588 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.057 97.304 39.789 1.00 0.00 C ATOM 0 H LEU A 15 127.684 94.388 38.412 1.00 0.00 H new ATOM 0 HA LEU A 15 127.734 97.125 38.015 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.796 94.988 37.293 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.155 96.703 37.294 1.00 0.00 H new ATOM 0 HG LEU A 15 128.838 95.519 39.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.066 94.933 40.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.688 93.957 39.227 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.816 95.328 39.102 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.216 97.264 40.867 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.957 97.681 39.303 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.221 97.968 39.570 1.00 0.00 H new ATOM 232 N TYR A 16 127.940 95.482 35.144 1.00 0.00 N ATOM 233 CA TYR A 16 127.744 95.681 33.683 1.00 0.00 C ATOM 234 C TYR A 16 126.385 96.363 33.501 1.00 0.00 C ATOM 235 O TYR A 16 126.268 97.379 32.848 1.00 0.00 O ATOM 236 CB TYR A 16 127.826 94.300 32.956 1.00 0.00 C ATOM 237 CG TYR A 16 126.697 94.042 31.963 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.330 95.021 31.058 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.053 92.803 31.931 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.324 94.786 30.123 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.038 92.554 30.998 1.00 0.00 C ATOM 242 CZ TYR A 16 124.673 93.550 30.093 1.00 0.00 C ATOM 243 OH TYR A 16 123.676 93.315 29.167 1.00 0.00 O ATOM 0 H TYR A 16 128.122 94.521 35.435 1.00 0.00 H new ATOM 0 HA TYR A 16 128.518 96.311 33.245 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.778 94.236 32.429 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.823 93.508 33.705 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.829 95.979 31.076 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.340 92.032 32.630 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.047 95.559 29.421 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.541 91.595 30.980 1.00 0.00 H new ATOM 0 HH TYR A 16 123.330 92.406 29.283 1.00 0.00 H new ATOM 253 N LEU A 17 125.365 95.807 34.068 1.00 0.00 N ATOM 254 CA LEU A 17 124.010 96.404 33.925 1.00 0.00 C ATOM 255 C LEU A 17 124.039 97.882 34.265 1.00 0.00 C ATOM 256 O LEU A 17 123.715 98.735 33.463 1.00 0.00 O ATOM 257 CB LEU A 17 123.053 95.737 34.906 1.00 0.00 C ATOM 258 CG LEU A 17 123.180 94.234 34.798 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.146 93.554 35.699 1.00 0.00 C ATOM 260 CD2 LEU A 17 122.989 93.773 33.362 1.00 0.00 C ATOM 0 H LEU A 17 125.406 94.957 34.631 1.00 0.00 H new ATOM 0 HA LEU A 17 123.687 96.259 32.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.277 96.059 35.923 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.028 96.041 34.694 1.00 0.00 H new ATOM 0 HG LEU A 17 124.183 93.955 35.121 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.245 92.472 35.614 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.312 93.854 36.734 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.144 93.852 35.391 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.085 92.688 33.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 121.998 94.066 33.015 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.746 94.234 32.728 1.00 0.00 H new ATOM 272 N VAL A 18 124.378 98.172 35.479 1.00 0.00 N ATOM 273 CA VAL A 18 124.383 99.567 35.944 1.00 0.00 C ATOM 274 C VAL A 18 125.488 100.361 35.220 1.00 0.00 C ATOM 275 O VAL A 18 125.356 101.545 34.983 1.00 0.00 O ATOM 276 CB VAL A 18 124.545 99.578 37.500 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.615 98.154 38.068 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.793 100.360 37.929 1.00 0.00 C ATOM 0 H VAL A 18 124.657 97.485 36.180 1.00 0.00 H new ATOM 0 HA VAL A 18 123.441 100.059 35.703 1.00 0.00 H new ATOM 0 HB VAL A 18 123.662 100.075 37.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.728 98.199 39.151 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.699 97.618 37.821 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.469 97.632 37.636 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.875 100.347 39.016 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.679 99.899 37.493 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.713 101.391 37.583 1.00 0.00 H new ATOM 288 N CYS A 19 126.571 99.724 34.877 1.00 0.00 N ATOM 289 CA CYS A 19 127.682 100.444 34.178 1.00 0.00 C ATOM 290 C CYS A 19 127.502 100.338 32.662 1.00 0.00 C ATOM 291 O CYS A 19 128.297 100.850 31.898 1.00 0.00 O ATOM 292 CB CYS A 19 129.025 99.829 34.583 1.00 0.00 C ATOM 293 SG CYS A 19 129.141 99.797 36.390 1.00 0.00 S ATOM 0 H CYS A 19 126.740 98.733 35.049 1.00 0.00 H new ATOM 0 HA CYS A 19 127.663 101.496 34.465 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.112 98.819 34.183 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.846 100.410 34.164 1.00 0.00 H new ATOM 298 N GLY A 20 126.463 99.684 32.221 1.00 0.00 N ATOM 299 CA GLY A 20 126.229 99.548 30.753 1.00 0.00 C ATOM 300 C GLY A 20 127.533 99.156 30.054 1.00 0.00 C ATOM 301 O GLY A 20 128.444 98.634 30.666 1.00 0.00 O ATOM 0 H GLY A 20 125.764 99.237 32.814 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.464 98.794 30.566 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.856 100.488 30.346 1.00 0.00 H new ATOM 305 N GLU A 21 127.630 99.403 28.776 1.00 0.00 N ATOM 306 CA GLU A 21 128.876 99.044 28.042 1.00 0.00 C ATOM 307 C GLU A 21 129.945 100.107 28.307 1.00 0.00 C ATOM 308 O GLU A 21 131.066 99.999 27.855 1.00 0.00 O ATOM 309 CB GLU A 21 128.586 98.978 26.542 1.00 0.00 C ATOM 310 CG GLU A 21 127.309 98.171 26.306 1.00 0.00 C ATOM 311 CD GLU A 21 127.125 97.937 24.806 1.00 0.00 C ATOM 312 OE1 GLU A 21 127.282 96.804 24.380 1.00 0.00 O ATOM 313 OE2 GLU A 21 126.832 98.894 24.110 1.00 0.00 O1- ATOM 0 H GLU A 21 126.901 99.837 28.209 1.00 0.00 H new ATOM 0 HA GLU A 21 129.232 98.073 28.385 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.473 99.984 26.138 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.423 98.516 26.019 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.367 97.217 26.830 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.449 98.705 26.710 1.00 0.00 H new ATOM 320 N ARG A 22 129.604 101.134 29.039 1.00 0.00 N ATOM 321 CA ARG A 22 130.599 102.206 29.336 1.00 0.00 C ATOM 322 C ARG A 22 131.921 101.569 29.773 1.00 0.00 C ATOM 323 O ARG A 22 132.955 101.783 29.174 1.00 0.00 O ATOM 324 CB ARG A 22 130.072 103.094 30.466 1.00 0.00 C ATOM 325 CG ARG A 22 128.628 103.502 30.168 1.00 0.00 C ATOM 326 CD ARG A 22 128.216 104.637 31.106 1.00 0.00 C ATOM 327 NE ARG A 22 126.814 105.044 30.806 1.00 0.00 N ATOM 328 CZ ARG A 22 126.368 106.200 31.219 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.140 106.556 30.958 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 127.150 106.999 31.893 1.00 0.00 N ATOM 0 H ARG A 22 128.679 101.277 29.444 1.00 0.00 H new ATOM 0 HA ARG A 22 130.759 102.807 28.441 1.00 0.00 H new ATOM 0 HB2 ARG A 22 130.121 102.560 31.415 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.698 103.981 30.567 1.00 0.00 H new ATOM 0 HG2 ARG A 22 128.536 103.822 29.130 1.00 0.00 H new ATOM 0 HG3 ARG A 22 127.963 102.648 30.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 128.298 104.314 32.144 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.887 105.487 30.983 1.00 0.00 H new ATOM 0 HE ARG A 22 126.203 104.420 30.279 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.529 105.932 30.432 1.00 0.00 H new ATOM 0 HH12 ARG A 22 124.791 107.459 31.280 1.00 0.00 H new ATOM 0 HH21 ARG A 22 128.110 106.721 32.097 1.00 0.00 H new ATOM 0 HH22 ARG A 22 126.801 107.902 32.215 1.00 0.00 H new ATOM 344 N GLY A 23 131.889 100.790 30.822 1.00 0.00 N ATOM 345 CA GLY A 23 133.134 100.130 31.320 1.00 0.00 C ATOM 346 C GLY A 23 133.128 100.153 32.845 1.00 0.00 C ATOM 347 O GLY A 23 132.886 101.173 33.458 1.00 0.00 O ATOM 0 H GLY A 23 131.048 100.581 31.360 1.00 0.00 H new ATOM 0 HA2 GLY A 23 133.187 99.103 30.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 134.014 100.648 30.938 1.00 0.00 H new ATOM 351 N PHE A 24 133.388 99.028 33.459 1.00 0.00 N ATOM 352 CA PHE A 24 133.398 98.955 34.950 1.00 0.00 C ATOM 353 C PHE A 24 134.678 98.246 35.402 1.00 0.00 C ATOM 354 O PHE A 24 135.159 97.339 34.752 1.00 0.00 O ATOM 355 CB PHE A 24 132.167 98.176 35.408 1.00 0.00 C ATOM 356 CG PHE A 24 132.124 96.848 34.703 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.869 95.799 35.206 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.343 96.659 33.560 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.848 94.555 34.573 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.325 95.407 32.927 1.00 0.00 C ATOM 361 CZ PHE A 24 132.077 94.363 33.435 1.00 0.00 C ATOM 0 H PHE A 24 133.596 98.148 32.986 1.00 0.00 H new ATOM 0 HA PHE A 24 133.373 99.954 35.386 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.199 98.026 36.487 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.262 98.744 35.192 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.470 95.942 36.092 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.755 97.474 33.165 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.434 93.739 34.970 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.724 95.258 32.042 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.064 93.400 32.947 1.00 0.00 H new ATOM 371 N PHE A 25 135.245 98.670 36.498 1.00 0.00 N ATOM 372 CA PHE A 25 136.511 98.043 36.983 1.00 0.00 C ATOM 373 C PHE A 25 136.199 96.814 37.843 1.00 0.00 C ATOM 374 O PHE A 25 135.346 96.849 38.709 1.00 0.00 O ATOM 375 CB PHE A 25 137.292 99.066 37.819 1.00 0.00 C ATOM 376 CG PHE A 25 137.944 100.080 36.920 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.336 100.160 36.852 1.00 0.00 C ATOM 378 CD2 PHE A 25 137.155 100.949 36.160 1.00 0.00 C ATOM 379 CE1 PHE A 25 139.939 101.104 36.029 1.00 0.00 C ATOM 380 CE2 PHE A 25 137.760 101.895 35.333 1.00 0.00 C ATOM 381 CZ PHE A 25 139.154 101.974 35.265 1.00 0.00 C ATOM 0 H PHE A 25 134.886 99.426 37.081 1.00 0.00 H new ATOM 0 HA PHE A 25 137.107 97.731 36.125 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.620 99.566 38.516 1.00 0.00 H new ATOM 0 HB3 PHE A 25 138.049 98.557 38.415 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.945 99.488 37.439 1.00 0.00 H new ATOM 0 HD2 PHE A 25 136.078 100.888 36.213 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.016 101.166 35.979 1.00 0.00 H new ATOM 0 HE2 PHE A 25 137.152 102.566 34.745 1.00 0.00 H new ATOM 0 HZ PHE A 25 139.624 102.705 34.624 1.00 0.00 H new ATOM 391 N TYR A 26 136.894 95.731 37.614 1.00 0.00 N ATOM 392 CA TYR A 26 136.655 94.496 38.417 1.00 0.00 C ATOM 393 C TYR A 26 137.715 93.447 38.065 1.00 0.00 C ATOM 394 O TYR A 26 138.016 92.568 38.847 1.00 0.00 O ATOM 395 CB TYR A 26 135.263 93.937 38.102 1.00 0.00 C ATOM 396 CG TYR A 26 134.999 92.725 38.960 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.623 92.887 40.297 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.129 91.438 38.420 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.376 91.767 41.094 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.882 90.316 39.219 1.00 0.00 C ATOM 401 CZ TYR A 26 134.506 90.480 40.558 1.00 0.00 C ATOM 402 OH TYR A 26 134.263 89.374 41.347 1.00 0.00 O ATOM 0 H TYR A 26 137.620 95.649 36.902 1.00 0.00 H new ATOM 0 HA TYR A 26 136.716 94.738 39.478 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.504 94.698 38.286 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.197 93.670 37.047 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.524 93.878 40.713 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.420 91.312 37.387 1.00 0.00 H new ATOM 0 HE1 TYR A 26 134.084 91.894 42.126 1.00 0.00 H new ATOM 0 HE2 TYR A 26 134.981 89.324 38.803 1.00 0.00 H new ATOM 0 HH TYR A 26 134.398 88.559 40.819 1.00 0.00 H new ATOM 412 N THR A 27 138.286 93.535 36.892 1.00 0.00 N ATOM 413 CA THR A 27 139.326 92.549 36.481 1.00 0.00 C ATOM 414 C THR A 27 138.838 91.130 36.777 1.00 0.00 C ATOM 415 O THR A 27 137.719 90.914 37.194 1.00 0.00 O ATOM 416 CB THR A 27 140.625 92.814 37.256 1.00 0.00 C ATOM 417 OG1 THR A 27 140.315 93.143 38.601 1.00 0.00 O ATOM 418 CG2 THR A 27 141.394 93.967 36.607 1.00 0.00 C ATOM 0 H THR A 27 138.075 94.252 36.198 1.00 0.00 H new ATOM 0 HA THR A 27 139.513 92.652 35.412 1.00 0.00 H new ATOM 0 HB THR A 27 141.245 91.918 37.235 1.00 0.00 H new ATOM 0 HG1 THR A 27 139.634 92.526 38.940 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.314 94.149 37.162 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.637 93.708 35.577 1.00 0.00 H new ATOM 0 HG23 THR A 27 140.779 94.867 36.619 1.00 0.00 H new ATOM 426 N ASP A 28 139.684 90.158 36.560 1.00 0.00 N ATOM 427 CA ASP A 28 139.306 88.740 36.818 1.00 0.00 C ATOM 428 C ASP A 28 139.873 88.335 38.193 1.00 0.00 C ATOM 429 O ASP A 28 140.749 88.988 38.724 1.00 0.00 O ATOM 430 CB ASP A 28 139.915 87.873 35.689 1.00 0.00 C ATOM 431 CG ASP A 28 138.813 87.239 34.825 1.00 0.00 C ATOM 432 OD1 ASP A 28 137.834 87.916 34.558 1.00 0.00 O ATOM 433 OD2 ASP A 28 138.970 86.090 34.447 1.00 0.00 O1- ATOM 0 H ASP A 28 140.633 90.290 36.210 1.00 0.00 H new ATOM 0 HA ASP A 28 138.225 88.603 36.829 1.00 0.00 H new ATOM 0 HB2 ASP A 28 140.564 88.487 35.064 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.538 87.090 36.122 1.00 0.00 H new ATOM 438 N PRO A 29 139.346 87.256 38.740 1.00 0.00 N ATOM 439 CA PRO A 29 139.763 86.694 40.062 1.00 0.00 C ATOM 440 C PRO A 29 141.278 86.685 40.273 1.00 0.00 C ATOM 441 O PRO A 29 141.812 85.779 40.893 1.00 0.00 O ATOM 442 CB PRO A 29 139.280 85.247 40.000 1.00 0.00 C ATOM 443 CG PRO A 29 138.143 85.221 39.034 1.00 0.00 C ATOM 444 CD PRO A 29 138.262 86.458 38.138 1.00 0.00 C ATOM 0 HA PRO A 29 139.354 87.292 40.876 1.00 0.00 H new ATOM 0 HB2 PRO A 29 140.081 84.584 39.674 1.00 0.00 H new ATOM 0 HB3 PRO A 29 138.961 84.902 40.984 1.00 0.00 H new ATOM 0 HG2 PRO A 29 138.172 84.311 38.435 1.00 0.00 H new ATOM 0 HG3 PRO A 29 137.191 85.224 39.564 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.498 86.181 37.111 1.00 0.00 H new ATOM 0 HD3 PRO A 29 137.327 87.018 38.110 1.00 0.00 H new ATOM 452 N THR A 30 141.990 87.639 39.744 1.00 0.00 N ATOM 453 CA THR A 30 143.471 87.603 39.901 1.00 0.00 C ATOM 454 C THR A 30 144.097 89.013 39.710 1.00 0.00 C ATOM 455 O THR A 30 144.055 89.838 40.603 1.00 0.00 O ATOM 456 CB THR A 30 143.989 86.622 38.848 1.00 0.00 C ATOM 457 OG1 THR A 30 144.091 87.292 37.595 1.00 0.00 O ATOM 458 CG2 THR A 30 143.003 85.440 38.723 1.00 0.00 C ATOM 0 H THR A 30 141.619 88.430 39.218 1.00 0.00 H new ATOM 0 HA THR A 30 143.748 87.285 40.906 1.00 0.00 H new ATOM 0 HB THR A 30 144.969 86.247 39.143 1.00 0.00 H new ATOM 0 HG1 THR A 30 144.933 87.044 37.159 1.00 0.00 H new ATOM 0 HG21 THR A 30 143.369 84.739 37.973 1.00 0.00 H new ATOM 0 HG22 THR A 30 142.919 84.933 39.684 1.00 0.00 H new ATOM 0 HG23 THR A 30 142.024 85.813 38.423 1.00 0.00 H new ATOM 466 N GLU A 31 144.670 89.288 38.556 1.00 0.00 N ATOM 467 CA GLU A 31 145.289 90.635 38.281 1.00 0.00 C ATOM 468 C GLU A 31 145.165 91.559 39.504 1.00 0.00 C ATOM 469 O GLU A 31 144.415 92.512 39.484 1.00 0.00 O ATOM 470 CB GLU A 31 144.540 91.272 37.093 1.00 0.00 C ATOM 471 CG GLU A 31 145.252 90.911 35.775 1.00 0.00 C ATOM 472 CD GLU A 31 144.597 91.627 34.573 1.00 0.00 C ATOM 473 OE1 GLU A 31 143.991 90.943 33.756 1.00 0.00 O ATOM 474 OE2 GLU A 31 144.739 92.838 34.473 1.00 0.00 O1- ATOM 0 H GLU A 31 144.736 88.628 37.781 1.00 0.00 H new ATOM 0 HA GLU A 31 146.348 90.504 38.056 1.00 0.00 H new ATOM 0 HB2 GLU A 31 143.509 90.919 37.069 1.00 0.00 H new ATOM 0 HB3 GLU A 31 144.503 92.355 37.213 1.00 0.00 H new ATOM 0 HG2 GLU A 31 146.304 91.189 35.839 1.00 0.00 H new ATOM 0 HG3 GLU A 31 145.216 89.832 35.623 1.00 0.00 H new ATOM 481 N GLU A 32 145.871 91.289 40.566 1.00 0.00 N ATOM 482 CA GLU A 32 145.759 92.157 41.776 1.00 0.00 C ATOM 483 C GLU A 32 144.320 92.113 42.340 1.00 0.00 C ATOM 484 O GLU A 32 144.137 92.080 43.532 1.00 0.00 O ATOM 485 CB GLU A 32 146.164 93.604 41.427 1.00 0.00 C ATOM 486 CG GLU A 32 144.995 94.575 41.652 1.00 0.00 C ATOM 487 CD GLU A 32 144.781 94.806 43.155 1.00 0.00 C ATOM 488 OE1 GLU A 32 144.836 95.949 43.568 1.00 0.00 O ATOM 489 OE2 GLU A 32 144.561 93.842 43.866 1.00 0.00 O1- ATOM 0 H GLU A 32 146.520 90.507 40.651 1.00 0.00 H new ATOM 0 HA GLU A 32 146.436 91.782 42.543 1.00 0.00 H new ATOM 0 HB2 GLU A 32 147.014 93.905 42.040 1.00 0.00 H new ATOM 0 HB3 GLU A 32 146.487 93.654 40.387 1.00 0.00 H new ATOM 0 HG2 GLU A 32 145.200 95.524 41.156 1.00 0.00 H new ATOM 0 HG3 GLU A 32 144.086 94.172 41.205 1.00 0.00 H new ATOM 496 N GLY A 33 143.296 92.124 41.524 1.00 0.00 N ATOM 497 CA GLY A 33 141.907 92.103 42.097 1.00 0.00 C ATOM 498 C GLY A 33 141.476 93.545 42.438 1.00 0.00 C ATOM 499 O GLY A 33 142.239 94.477 42.259 1.00 0.00 O ATOM 0 H GLY A 33 143.354 92.146 40.506 1.00 0.00 H new ATOM 0 HA2 GLY A 33 141.212 91.663 41.382 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.879 91.481 42.992 1.00 0.00 H new ATOM 503 N PRO A 34 140.259 93.720 42.920 1.00 0.00 N ATOM 504 CA PRO A 34 139.689 95.057 43.285 1.00 0.00 C ATOM 505 C PRO A 34 140.208 95.559 44.619 1.00 0.00 C ATOM 506 O PRO A 34 141.301 95.237 45.042 1.00 0.00 O ATOM 507 CB PRO A 34 138.195 94.757 43.433 1.00 0.00 C ATOM 508 CG PRO A 34 138.167 93.364 43.944 1.00 0.00 C ATOM 509 CD PRO A 34 139.281 92.650 43.185 1.00 0.00 C ATOM 0 HA PRO A 34 139.944 95.819 42.548 1.00 0.00 H new ATOM 0 HB2 PRO A 34 137.714 95.448 44.126 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.672 94.845 42.481 1.00 0.00 H new ATOM 0 HG2 PRO A 34 138.338 93.334 45.020 1.00 0.00 H new ATOM 0 HG3 PRO A 34 137.200 92.895 43.762 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.717 91.845 43.776 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.914 92.204 42.261 1.00 0.00 H new ATOM 517 N ARG A 35 139.382 96.299 45.300 1.00 0.00 N ATOM 518 CA ARG A 35 139.726 96.803 46.647 1.00 0.00 C ATOM 519 C ARG A 35 138.670 96.250 47.614 1.00 0.00 C ATOM 520 O ARG A 35 137.672 96.881 47.886 1.00 0.00 O ATOM 521 CB ARG A 35 139.698 98.335 46.651 1.00 0.00 C ATOM 522 CG ARG A 35 138.288 98.841 46.364 1.00 0.00 C ATOM 523 CD ARG A 35 138.053 98.858 44.854 1.00 0.00 C ATOM 524 NE ARG A 35 138.651 100.094 44.278 1.00 0.00 N ATOM 525 CZ ARG A 35 137.886 100.948 43.655 1.00 0.00 C ATOM 526 NH1 ARG A 35 138.368 102.096 43.268 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 136.644 100.642 43.394 1.00 0.00 N ATOM 0 H ARG A 35 138.460 96.580 44.966 1.00 0.00 H new ATOM 0 HA ARG A 35 140.726 96.485 46.943 1.00 0.00 H new ATOM 0 HB2 ARG A 35 140.036 98.709 47.618 1.00 0.00 H new ATOM 0 HB3 ARG A 35 140.389 98.720 45.901 1.00 0.00 H new ATOM 0 HG2 ARG A 35 137.553 98.199 46.850 1.00 0.00 H new ATOM 0 HG3 ARG A 35 138.158 99.842 46.775 1.00 0.00 H new ATOM 0 HD2 ARG A 35 138.499 97.976 44.395 1.00 0.00 H new ATOM 0 HD3 ARG A 35 136.985 98.823 44.640 1.00 0.00 H new ATOM 0 HE ARG A 35 139.651 100.272 44.370 1.00 0.00 H new ATOM 0 HH11 ARG A 35 139.344 102.327 43.452 1.00 0.00 H new ATOM 0 HH12 ARG A 35 137.769 102.763 42.781 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.272 99.736 43.677 1.00 0.00 H new ATOM 0 HH22 ARG A 35 136.046 101.309 42.907 1.00 0.00 H new ATOM 541 N ARG A 36 138.878 95.058 48.106 1.00 0.00 N ATOM 542 CA ARG A 36 137.887 94.437 49.033 1.00 0.00 C ATOM 543 C ARG A 36 136.922 95.517 49.545 1.00 0.00 C ATOM 544 O ARG A 36 137.217 96.293 50.434 1.00 0.00 O ATOM 545 CB ARG A 36 138.637 93.733 50.167 1.00 0.00 C ATOM 546 CG ARG A 36 138.786 92.245 49.809 1.00 0.00 C ATOM 547 CD ARG A 36 139.339 92.125 48.382 1.00 0.00 C ATOM 548 NE ARG A 36 138.583 91.097 47.608 1.00 0.00 N ATOM 549 CZ ARG A 36 139.191 90.392 46.687 1.00 0.00 C ATOM 550 NH1 ARG A 36 138.529 89.491 46.021 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 140.462 90.584 46.438 1.00 0.00 N ATOM 0 H ARG A 36 139.697 94.484 47.904 1.00 0.00 H new ATOM 0 HA ARG A 36 137.288 93.686 48.517 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.617 94.187 50.311 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.094 93.843 51.105 1.00 0.00 H new ATOM 0 HG2 ARG A 36 139.456 91.754 50.515 1.00 0.00 H new ATOM 0 HG3 ARG A 36 137.822 91.742 49.882 1.00 0.00 H new ATOM 0 HD2 ARG A 36 139.271 93.089 47.878 1.00 0.00 H new ATOM 0 HD3 ARG A 36 140.395 91.857 48.417 1.00 0.00 H new ATOM 0 HE ARG A 36 137.592 90.943 47.796 1.00 0.00 H new ATOM 0 HH11 ARG A 36 137.540 89.336 46.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 138.999 88.940 45.303 1.00 0.00 H new ATOM 0 HH21 ARG A 36 140.984 91.286 46.963 1.00 0.00 H new ATOM 0 HH22 ARG A 36 140.930 90.032 45.719 1.00 0.00 H new ATOM 565 N GLY A 37 135.739 95.499 49.009 1.00 0.00 N ATOM 566 CA GLY A 37 134.674 96.453 49.425 1.00 0.00 C ATOM 567 C GLY A 37 133.335 95.947 48.900 1.00 0.00 C ATOM 568 O GLY A 37 132.384 95.774 49.637 1.00 0.00 O ATOM 0 H GLY A 37 135.456 94.845 48.279 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.646 96.539 50.511 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.883 97.448 49.032 1.00 0.00 H new ATOM 572 N ILE A 38 133.262 95.708 47.624 1.00 0.00 N ATOM 573 CA ILE A 38 132.001 95.211 47.017 1.00 0.00 C ATOM 574 C ILE A 38 131.885 93.700 47.211 1.00 0.00 C ATOM 575 O ILE A 38 130.847 93.178 47.541 1.00 0.00 O ATOM 576 CB ILE A 38 132.040 95.520 45.514 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.652 95.334 44.909 1.00 0.00 C ATOM 578 CG2 ILE A 38 133.039 94.594 44.792 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.727 95.586 43.399 1.00 0.00 C ATOM 0 H ILE A 38 134.032 95.838 46.968 1.00 0.00 H new ATOM 0 HA ILE A 38 131.147 95.695 47.491 1.00 0.00 H new ATOM 0 HB ILE A 38 132.361 96.554 45.386 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.288 94.325 45.105 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.945 96.023 45.371 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.051 94.830 43.728 1.00 0.00 H new ATOM 0 HG22 ILE A 38 134.036 94.740 45.207 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.738 93.556 44.930 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.739 95.455 42.959 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.074 96.603 43.217 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.422 94.879 42.946 1.00 0.00 H new ATOM 591 N VAL A 39 132.947 93.002 46.962 1.00 0.00 N ATOM 592 CA VAL A 39 132.937 91.532 47.060 1.00 0.00 C ATOM 593 C VAL A 39 132.691 91.057 48.489 1.00 0.00 C ATOM 594 O VAL A 39 131.724 90.380 48.770 1.00 0.00 O ATOM 595 CB VAL A 39 134.316 91.079 46.593 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.552 89.619 46.956 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.429 91.282 45.079 1.00 0.00 C ATOM 0 H VAL A 39 133.844 93.403 46.688 1.00 0.00 H new ATOM 0 HA VAL A 39 132.132 91.114 46.455 1.00 0.00 H new ATOM 0 HB VAL A 39 135.078 91.676 47.094 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.541 89.314 46.614 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.488 89.498 48.037 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.795 88.998 46.476 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.414 90.959 44.741 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.662 90.694 44.575 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.292 92.337 44.842 1.00 0.00 H new ATOM 607 N GLU A 40 133.564 91.384 49.384 1.00 0.00 N ATOM 608 CA GLU A 40 133.394 90.922 50.783 1.00 0.00 C ATOM 609 C GLU A 40 131.962 91.181 51.257 1.00 0.00 C ATOM 610 O GLU A 40 131.409 90.420 52.025 1.00 0.00 O ATOM 611 CB GLU A 40 134.393 91.657 51.664 1.00 0.00 C ATOM 612 CG GLU A 40 135.773 91.622 50.998 1.00 0.00 C ATOM 613 CD GLU A 40 136.841 92.031 52.016 1.00 0.00 C ATOM 614 OE1 GLU A 40 136.662 93.057 52.652 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.816 91.309 52.144 1.00 0.00 O1- ATOM 0 H GLU A 40 134.392 91.953 49.211 1.00 0.00 H new ATOM 0 HA GLU A 40 133.577 89.849 50.844 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.074 92.689 51.814 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.439 91.192 52.649 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.981 90.621 50.619 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.793 92.297 50.143 1.00 0.00 H new ATOM 622 N GLN A 41 131.349 92.241 50.802 1.00 0.00 N ATOM 623 CA GLN A 41 129.944 92.537 51.225 1.00 0.00 C ATOM 624 C GLN A 41 128.967 91.943 50.201 1.00 0.00 C ATOM 625 O GLN A 41 128.131 91.127 50.526 1.00 0.00 O ATOM 626 CB GLN A 41 129.745 94.059 51.310 1.00 0.00 C ATOM 627 CG GLN A 41 130.243 94.571 52.665 1.00 0.00 C ATOM 628 CD GLN A 41 130.197 96.099 52.683 1.00 0.00 C ATOM 629 OE1 GLN A 41 131.224 96.749 52.718 1.00 0.00 O ATOM 630 NE2 GLN A 41 129.042 96.706 52.664 1.00 0.00 N ATOM 0 H GLN A 41 131.758 92.916 50.156 1.00 0.00 H new ATOM 0 HA GLN A 41 129.755 92.094 52.203 1.00 0.00 H new ATOM 0 HB2 GLN A 41 130.287 94.552 50.503 1.00 0.00 H new ATOM 0 HB3 GLN A 41 128.691 94.305 51.183 1.00 0.00 H new ATOM 0 HG2 GLN A 41 129.624 94.169 53.467 1.00 0.00 H new ATOM 0 HG3 GLN A 41 131.261 94.225 52.844 1.00 0.00 H new ATOM 0 HE21 GLN A 41 128.180 96.161 52.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 129.001 97.725 52.678 1.00 0.00 H new ATOM 639 N CYS A 42 129.059 92.358 48.971 1.00 0.00 N ATOM 640 CA CYS A 42 128.130 91.830 47.930 1.00 0.00 C ATOM 641 C CYS A 42 128.143 90.297 47.918 1.00 0.00 C ATOM 642 O CYS A 42 127.142 89.665 47.642 1.00 0.00 O ATOM 643 CB CYS A 42 128.562 92.349 46.557 1.00 0.00 C ATOM 644 SG CYS A 42 127.259 92.025 45.351 1.00 0.00 S ATOM 0 H CYS A 42 129.739 93.042 48.638 1.00 0.00 H new ATOM 0 HA CYS A 42 127.120 92.169 48.159 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.766 93.418 46.609 1.00 0.00 H new ATOM 0 HB3 CYS A 42 129.487 91.863 46.248 1.00 0.00 H new ATOM 649 N CYS A 43 129.268 89.687 48.191 1.00 0.00 N ATOM 650 CA CYS A 43 129.330 88.192 48.167 1.00 0.00 C ATOM 651 C CYS A 43 128.882 87.605 49.514 1.00 0.00 C ATOM 652 O CYS A 43 128.025 86.747 49.564 1.00 0.00 O ATOM 653 CB CYS A 43 130.765 87.741 47.866 1.00 0.00 C ATOM 654 SG CYS A 43 130.814 85.933 47.753 1.00 0.00 S ATOM 0 H CYS A 43 130.143 90.155 48.428 1.00 0.00 H new ATOM 0 HA CYS A 43 128.657 87.831 47.389 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.109 88.185 46.932 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.439 88.086 48.650 1.00 0.00 H new ATOM 659 N HIS A 44 129.463 88.040 50.602 1.00 0.00 N ATOM 660 CA HIS A 44 129.074 87.477 51.934 1.00 0.00 C ATOM 661 C HIS A 44 127.865 88.228 52.502 1.00 0.00 C ATOM 662 O HIS A 44 127.338 87.870 53.537 1.00 0.00 O ATOM 663 CB HIS A 44 130.250 87.609 52.902 1.00 0.00 C ATOM 664 CG HIS A 44 131.503 87.110 52.238 1.00 0.00 C ATOM 665 ND1 HIS A 44 131.473 86.376 51.059 1.00 0.00 N ATOM 666 CD2 HIS A 44 132.830 87.230 52.571 1.00 0.00 C ATOM 667 CE1 HIS A 44 132.747 86.087 50.730 1.00 0.00 C ATOM 668 NE2 HIS A 44 133.607 86.584 51.619 1.00 0.00 N ATOM 0 H HIS A 44 130.187 88.758 50.628 1.00 0.00 H new ATOM 0 HA HIS A 44 128.809 86.427 51.808 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.374 88.650 53.201 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.054 87.038 53.809 1.00 0.00 H new ATOM 0 HD2 HIS A 44 133.210 87.747 53.439 1.00 0.00 H new ATOM 0 HE1 HIS A 44 133.036 85.523 49.855 1.00 0.00 H new ATOM 0 HE2 HIS A 44 134.624 86.506 51.603 1.00 0.00 H new ATOM 677 N SER A 45 127.422 89.267 51.844 1.00 0.00 N ATOM 678 CA SER A 45 126.247 90.046 52.353 1.00 0.00 C ATOM 679 C SER A 45 125.357 90.451 51.174 1.00 0.00 C ATOM 680 O SER A 45 125.627 90.114 50.038 1.00 0.00 O ATOM 681 CB SER A 45 126.748 91.299 53.078 1.00 0.00 C ATOM 682 OG SER A 45 127.900 90.968 53.841 1.00 0.00 O ATOM 0 H SER A 45 127.823 89.613 50.972 1.00 0.00 H new ATOM 0 HA SER A 45 125.670 89.433 53.046 1.00 0.00 H new ATOM 0 HB2 SER A 45 126.987 92.080 52.356 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.968 91.694 53.728 1.00 0.00 H new ATOM 0 HG SER A 45 128.225 91.767 54.306 1.00 0.00 H new ATOM 688 N ILE A 46 124.303 91.178 51.431 1.00 0.00 N ATOM 689 CA ILE A 46 123.409 91.603 50.317 1.00 0.00 C ATOM 690 C ILE A 46 124.195 92.534 49.391 1.00 0.00 C ATOM 691 O ILE A 46 125.369 92.769 49.598 1.00 0.00 O ATOM 692 CB ILE A 46 122.171 92.326 50.887 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.439 91.405 51.890 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.218 92.728 49.751 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.513 90.416 51.163 1.00 0.00 C ATOM 0 H ILE A 46 124.024 91.494 52.360 1.00 0.00 H new ATOM 0 HA ILE A 46 123.067 90.734 49.755 1.00 0.00 H new ATOM 0 HB ILE A 46 122.498 93.228 51.404 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.170 90.855 52.483 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.856 92.010 52.585 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.349 93.237 50.168 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.734 93.397 49.062 1.00 0.00 H new ATOM 0 HG23 ILE A 46 120.893 91.836 49.216 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.012 89.782 51.894 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.768 90.969 50.591 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.102 89.795 50.488 1.00 0.00 H new ATOM 707 N CYS A 47 123.572 93.048 48.358 1.00 0.00 N ATOM 708 CA CYS A 47 124.299 93.941 47.400 1.00 0.00 C ATOM 709 C CYS A 47 123.453 95.178 47.069 1.00 0.00 C ATOM 710 O CYS A 47 122.299 95.075 46.704 1.00 0.00 O ATOM 711 CB CYS A 47 124.580 93.147 46.115 1.00 0.00 C ATOM 712 SG CYS A 47 126.134 93.699 45.378 1.00 0.00 S ATOM 0 H CYS A 47 122.589 92.888 48.136 1.00 0.00 H new ATOM 0 HA CYS A 47 125.233 94.277 47.851 1.00 0.00 H new ATOM 0 HB2 CYS A 47 124.632 92.082 46.340 1.00 0.00 H new ATOM 0 HB3 CYS A 47 123.763 93.284 45.407 1.00 0.00 H new ATOM 717 N SER A 48 124.037 96.345 47.166 1.00 0.00 N ATOM 718 CA SER A 48 123.289 97.595 46.830 1.00 0.00 C ATOM 719 C SER A 48 123.595 97.955 45.377 1.00 0.00 C ATOM 720 O SER A 48 124.683 97.739 44.895 1.00 0.00 O ATOM 721 CB SER A 48 123.749 98.737 47.742 1.00 0.00 C ATOM 722 OG SER A 48 123.105 98.618 49.003 1.00 0.00 O ATOM 0 H SER A 48 125.002 96.487 47.464 1.00 0.00 H new ATOM 0 HA SER A 48 122.219 97.440 46.970 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.831 98.704 47.869 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.511 99.699 47.288 1.00 0.00 H new ATOM 0 HG SER A 48 123.398 99.346 49.590 1.00 0.00 H new ATOM 728 N LEU A 49 122.648 98.510 44.681 1.00 0.00 N ATOM 729 CA LEU A 49 122.875 98.899 43.277 1.00 0.00 C ATOM 730 C LEU A 49 123.568 100.256 43.287 1.00 0.00 C ATOM 731 O LEU A 49 124.482 100.527 42.532 1.00 0.00 O ATOM 732 CB LEU A 49 121.497 98.945 42.584 1.00 0.00 C ATOM 733 CG LEU A 49 121.430 100.016 41.495 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.471 99.744 40.401 1.00 0.00 C ATOM 735 CD2 LEU A 49 120.036 99.991 40.882 1.00 0.00 C ATOM 0 H LEU A 49 121.713 98.711 45.036 1.00 0.00 H new ATOM 0 HA LEU A 49 123.507 98.198 42.733 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.281 97.971 42.146 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.725 99.138 43.329 1.00 0.00 H new ATOM 0 HG LEU A 49 121.640 100.991 41.935 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.406 100.518 39.636 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.469 99.750 40.839 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.278 98.771 39.949 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.968 100.749 40.102 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.846 99.008 40.451 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.295 100.198 41.654 1.00 0.00 H new ATOM 747 N GLU A 50 123.132 101.093 44.164 1.00 0.00 N ATOM 748 CA GLU A 50 123.724 102.440 44.295 1.00 0.00 C ATOM 749 C GLU A 50 125.203 102.281 44.542 1.00 0.00 C ATOM 750 O GLU A 50 126.014 103.141 44.268 1.00 0.00 O ATOM 751 CB GLU A 50 123.068 103.092 45.495 1.00 0.00 C ATOM 752 CG GLU A 50 121.570 103.214 45.230 1.00 0.00 C ATOM 753 CD GLU A 50 120.946 104.194 46.226 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.456 103.737 47.246 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.966 105.382 45.951 1.00 0.00 O1- ATOM 0 H GLU A 50 122.370 100.898 44.814 1.00 0.00 H new ATOM 0 HA GLU A 50 123.572 103.045 43.401 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.246 102.498 46.391 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.501 104.076 45.674 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.399 103.559 44.210 1.00 0.00 H new ATOM 0 HG3 GLU A 50 121.095 102.237 45.320 1.00 0.00 H new ATOM 762 N GLN A 51 125.525 101.163 45.071 1.00 0.00 N ATOM 763 CA GLN A 51 126.935 100.839 45.391 1.00 0.00 C ATOM 764 C GLN A 51 127.678 100.396 44.120 1.00 0.00 C ATOM 765 O GLN A 51 128.883 100.487 44.044 1.00 0.00 O ATOM 766 CB GLN A 51 126.944 99.716 46.429 1.00 0.00 C ATOM 767 CG GLN A 51 128.355 99.161 46.595 1.00 0.00 C ATOM 768 CD GLN A 51 128.422 98.298 47.856 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.707 97.120 47.786 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.167 98.840 49.016 1.00 0.00 N ATOM 0 H GLN A 51 124.857 100.429 45.307 1.00 0.00 H new ATOM 0 HA GLN A 51 127.441 101.719 45.789 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.579 100.092 47.385 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.267 98.920 46.120 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.629 98.569 45.722 1.00 0.00 H new ATOM 0 HG3 GLN A 51 129.073 99.979 46.663 1.00 0.00 H new ATOM 0 HE21 GLN A 51 127.928 99.830 49.075 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.207 98.274 49.863 1.00 0.00 H new ATOM 779 N LEU A 52 126.981 99.927 43.117 1.00 0.00 N ATOM 780 CA LEU A 52 127.671 99.502 41.870 1.00 0.00 C ATOM 781 C LEU A 52 127.858 100.733 40.984 1.00 0.00 C ATOM 782 O LEU A 52 128.845 100.894 40.304 1.00 0.00 O ATOM 783 CB LEU A 52 126.769 98.514 41.120 1.00 0.00 C ATOM 784 CG LEU A 52 126.278 97.409 42.027 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.292 96.549 41.239 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.436 96.549 42.477 1.00 0.00 C ATOM 0 H LEU A 52 125.966 99.821 43.111 1.00 0.00 H new ATOM 0 HA LEU A 52 128.630 99.041 42.107 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.916 99.046 40.700 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.318 98.082 40.284 1.00 0.00 H new ATOM 0 HG LEU A 52 125.799 97.840 42.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.923 95.743 41.874 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.454 97.164 40.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.794 96.125 40.369 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.069 95.757 43.130 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.920 96.107 41.607 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.155 97.162 43.020 1.00 0.00 H new ATOM 798 N GLU A 53 126.879 101.587 40.972 1.00 0.00 N ATOM 799 CA GLU A 53 126.936 102.793 40.125 1.00 0.00 C ATOM 800 C GLU A 53 128.176 103.624 40.464 1.00 0.00 C ATOM 801 O GLU A 53 128.630 104.425 39.672 1.00 0.00 O ATOM 802 CB GLU A 53 125.643 103.582 40.370 1.00 0.00 C ATOM 803 CG GLU A 53 124.596 103.227 39.304 1.00 0.00 C ATOM 804 CD GLU A 53 123.323 104.039 39.544 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.491 103.584 40.313 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.200 105.101 38.958 1.00 0.00 O1- ATOM 0 H GLU A 53 126.028 101.494 41.526 1.00 0.00 H new ATOM 0 HA GLU A 53 127.015 102.529 39.070 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.253 103.357 41.363 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.851 104.652 40.345 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.990 103.435 38.309 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.372 102.161 39.341 1.00 0.00 H new ATOM 813 N ASN A 54 128.737 103.429 41.618 1.00 0.00 N ATOM 814 CA ASN A 54 129.958 104.193 41.988 1.00 0.00 C ATOM 815 C ASN A 54 131.172 103.477 41.396 1.00 0.00 C ATOM 816 O ASN A 54 132.284 103.962 41.449 1.00 0.00 O ATOM 817 CB ASN A 54 130.086 104.247 43.511 1.00 0.00 C ATOM 818 CG ASN A 54 128.804 104.820 44.112 1.00 0.00 C ATOM 819 OD1 ASN A 54 128.109 105.586 43.475 1.00 0.00 O ATOM 820 ND2 ASN A 54 128.458 104.477 45.322 1.00 0.00 N ATOM 0 H ASN A 54 128.404 102.773 42.324 1.00 0.00 H new ATOM 0 HA ASN A 54 129.897 105.210 41.601 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.270 103.248 43.906 1.00 0.00 H new ATOM 0 HB3 ASN A 54 130.939 104.864 43.793 1.00 0.00 H new ATOM 0 HD21 ASN A 54 127.603 104.852 45.734 1.00 0.00 H new ATOM 0 HD22 ASN A 54 129.042 103.834 45.856 1.00 0.00 H new ATOM 827 N TYR A 55 130.962 102.301 40.864 1.00 0.00 N ATOM 828 CA TYR A 55 132.091 101.509 40.298 1.00 0.00 C ATOM 829 C TYR A 55 132.264 101.842 38.816 1.00 0.00 C ATOM 830 O TYR A 55 133.366 101.945 38.315 1.00 0.00 O ATOM 831 CB TYR A 55 131.805 100.012 40.464 1.00 0.00 C ATOM 832 CG TYR A 55 131.977 99.646 41.907 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.311 100.359 42.895 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.843 98.630 42.251 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.519 100.056 44.229 1.00 0.00 C ATOM 836 CE2 TYR A 55 133.044 98.315 43.586 1.00 0.00 C ATOM 837 CZ TYR A 55 132.386 99.033 44.584 1.00 0.00 C ATOM 838 OH TYR A 55 132.600 98.743 45.917 1.00 0.00 O ATOM 0 H TYR A 55 130.048 101.853 40.798 1.00 0.00 H new ATOM 0 HA TYR A 55 133.009 101.760 40.830 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.792 99.782 40.134 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.483 99.427 39.843 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.630 101.151 42.622 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.364 98.080 41.481 1.00 0.00 H new ATOM 0 HE1 TYR A 55 131.005 100.617 44.995 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.713 97.510 43.854 1.00 0.00 H new ATOM 0 HH TYR A 55 131.795 98.959 46.432 1.00 0.00 H new ATOM 848 N CYS A 56 131.179 102.012 38.111 1.00 0.00 N ATOM 849 CA CYS A 56 131.269 102.339 36.662 1.00 0.00 C ATOM 850 C CYS A 56 132.243 103.504 36.459 1.00 0.00 C ATOM 851 O CYS A 56 131.972 104.626 36.835 1.00 0.00 O ATOM 852 CB CYS A 56 129.878 102.723 36.151 1.00 0.00 C ATOM 853 SG CYS A 56 128.640 101.672 36.953 1.00 0.00 S ATOM 0 H CYS A 56 130.231 101.938 38.479 1.00 0.00 H new ATOM 0 HA CYS A 56 131.633 101.474 36.108 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.675 103.772 36.365 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.829 102.603 35.069 1.00 0.00 H new ATOM 858 N ASN A 57 133.376 103.242 35.869 1.00 0.00 N ATOM 859 CA ASN A 57 134.372 104.326 35.643 1.00 0.00 C ATOM 860 C ASN A 57 134.584 105.105 36.944 1.00 0.00 C ATOM 861 O ASN A 57 134.402 104.517 37.997 1.00 0.00 O ATOM 862 CB ASN A 57 133.859 105.276 34.558 1.00 0.00 C ATOM 863 CG ASN A 57 134.996 106.198 34.109 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.895 105.776 33.408 1.00 0.00 O ATOM 865 ND2 ASN A 57 134.994 107.447 34.486 1.00 0.00 N ATOM 866 OXT ASN A 57 134.924 106.273 36.863 1.00 0.00 O ATOM 0 H ASN A 57 133.656 102.321 35.533 1.00 0.00 H new ATOM 0 HA ASN A 57 135.317 103.887 35.323 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.482 104.706 33.709 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.027 105.867 34.940 1.00 0.00 H new ATOM 0 HD21 ASN A 57 135.747 108.070 34.193 1.00 0.00 H new ATOM 0 HD22 ASN A 57 134.240 107.801 35.074 1.00 0.00 H new TER 873 ASN A 57