USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=10 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= -0.941! C(o=-1.1!,f=-13!) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.17 K(o=-1.1,f=-0.27!) USER MOD Set 2.1: A 1 PHE N :NH3+ 178:sc= -0.209 (180deg=-0.247) USER MOD Set 2.2: A 4 GLN : amide:sc= -1.44! K(o=-1.6!,f=-0.35) USER MOD Single : A 3 ASN : amide:sc= -0.543 X(o=-0.54,f=-0.54) USER MOD Single : A 5 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-0.082) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0358 USER MOD Single : A 10 HIS : no HE2:sc= 0.429 K(o=0.43,f=-2.2!) 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 105:sc= 0.0576 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 44 HIS : no HD1:sc= -0.64 K(o=-0.64,f=-3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -8.05! C(o=-8!,f=-7.2!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.488 USER MOD Single : A 57 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.384 89.666 39.974 1.00 0.00 N ATOM 2 CA PHE A 1 120.202 90.808 40.497 1.00 0.00 C ATOM 3 C PHE A 1 119.362 91.670 41.459 1.00 0.00 C ATOM 4 O PHE A 1 119.740 92.767 41.793 1.00 0.00 O ATOM 5 CB PHE A 1 120.738 91.678 39.348 1.00 0.00 C ATOM 6 CG PHE A 1 119.702 92.709 38.965 1.00 0.00 C ATOM 7 CD1 PHE A 1 118.373 92.586 39.397 1.00 0.00 C ATOM 8 CD2 PHE A 1 120.081 93.800 38.187 1.00 0.00 C ATOM 9 CE1 PHE A 1 117.427 93.557 39.047 1.00 0.00 C ATOM 10 CE2 PHE A 1 119.140 94.767 37.831 1.00 0.00 C ATOM 11 CZ PHE A 1 117.818 94.647 38.261 1.00 0.00 C ATOM 0 H1 PHE A 1 119.951 89.112 39.301 1.00 0.00 H new ATOM 0 H2 PHE A 1 119.093 89.057 40.765 1.00 0.00 H new ATOM 0 H3 PHE A 1 118.539 90.036 39.493 1.00 0.00 H new ATOM 0 HA PHE A 1 121.052 90.392 41.037 1.00 0.00 H new ATOM 0 HB2 PHE A 1 121.661 92.171 39.652 1.00 0.00 H new ATOM 0 HB3 PHE A 1 120.979 91.053 38.488 1.00 0.00 H new ATOM 0 HD1 PHE A 1 118.079 91.740 40.001 1.00 0.00 H new ATOM 0 HD2 PHE A 1 121.105 93.898 37.859 1.00 0.00 H new ATOM 0 HE1 PHE A 1 116.404 93.466 39.381 1.00 0.00 H new ATOM 0 HE2 PHE A 1 119.435 95.609 37.222 1.00 0.00 H new ATOM 0 HZ PHE A 1 117.093 95.399 37.986 1.00 0.00 H new ATOM 23 N VAL A 2 118.340 91.079 42.036 1.00 0.00 N ATOM 24 CA VAL A 2 117.573 91.734 43.131 1.00 0.00 C ATOM 25 C VAL A 2 118.459 91.800 44.377 1.00 0.00 C ATOM 26 O VAL A 2 119.495 91.171 44.442 1.00 0.00 O ATOM 27 CB VAL A 2 116.312 90.919 43.432 1.00 0.00 C ATOM 28 CG1 VAL A 2 116.704 89.559 44.015 1.00 0.00 C ATOM 29 CG2 VAL A 2 115.437 91.674 44.441 1.00 0.00 C ATOM 0 H VAL A 2 118.003 90.150 41.784 1.00 0.00 H new ATOM 0 HA VAL A 2 117.280 92.741 42.833 1.00 0.00 H new ATOM 0 HB VAL A 2 115.753 90.770 42.508 1.00 0.00 H new ATOM 0 HG11 VAL A 2 115.804 88.982 44.228 1.00 0.00 H new ATOM 0 HG12 VAL A 2 117.320 89.019 43.296 1.00 0.00 H new ATOM 0 HG13 VAL A 2 117.267 89.707 44.937 1.00 0.00 H new ATOM 0 HG21 VAL A 2 114.541 91.091 44.653 1.00 0.00 H new ATOM 0 HG22 VAL A 2 115.996 91.828 45.364 1.00 0.00 H new ATOM 0 HG23 VAL A 2 115.152 92.640 44.024 1.00 0.00 H new ATOM 39 N ASN A 3 118.068 92.553 45.364 1.00 0.00 N ATOM 40 CA ASN A 3 118.899 92.649 46.598 1.00 0.00 C ATOM 41 C ASN A 3 119.271 91.240 47.075 1.00 0.00 C ATOM 42 O ASN A 3 118.509 90.589 47.762 1.00 0.00 O ATOM 43 CB ASN A 3 118.103 93.375 47.689 1.00 0.00 C ATOM 44 CG ASN A 3 117.279 94.491 47.055 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.079 94.554 47.229 1.00 0.00 O ATOM 46 ND2 ASN A 3 117.879 95.385 46.322 1.00 0.00 N ATOM 0 H ASN A 3 117.211 93.106 45.372 1.00 0.00 H new ATOM 0 HA ASN A 3 119.811 93.207 46.385 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.449 92.673 48.206 1.00 0.00 H new ATOM 0 HB3 ASN A 3 118.781 93.788 48.436 1.00 0.00 H new ATOM 0 HD21 ASN A 3 117.341 96.138 45.894 1.00 0.00 H new ATOM 0 HD22 ASN A 3 118.887 95.332 46.176 1.00 0.00 H new ATOM 53 N GLN A 4 120.434 90.761 46.715 1.00 0.00 N ATOM 54 CA GLN A 4 120.843 89.393 47.152 1.00 0.00 C ATOM 55 C GLN A 4 122.367 89.261 47.111 1.00 0.00 C ATOM 56 O GLN A 4 123.075 90.198 46.797 1.00 0.00 O ATOM 57 CB GLN A 4 120.210 88.352 46.223 1.00 0.00 C ATOM 58 CG GLN A 4 120.878 88.400 44.839 1.00 0.00 C ATOM 59 CD GLN A 4 119.963 87.749 43.800 1.00 0.00 C ATOM 60 OE1 GLN A 4 120.213 87.831 42.614 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.908 87.100 44.201 1.00 0.00 N ATOM 0 H GLN A 4 121.116 91.256 46.140 1.00 0.00 H new ATOM 0 HA GLN A 4 120.502 89.227 48.174 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.319 87.356 46.653 1.00 0.00 H new ATOM 0 HB3 GLN A 4 119.141 88.543 46.126 1.00 0.00 H new ATOM 0 HG2 GLN A 4 121.083 89.433 44.560 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.836 87.881 44.869 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.699 87.032 45.197 1.00 0.00 H new ATOM 0 HE22 GLN A 4 118.290 86.660 43.519 1.00 0.00 H new ATOM 70 N HIS A 5 122.875 88.100 47.426 1.00 0.00 N ATOM 71 CA HIS A 5 124.350 87.899 47.404 1.00 0.00 C ATOM 72 C HIS A 5 124.814 87.714 45.958 1.00 0.00 C ATOM 73 O HIS A 5 124.205 86.997 45.188 1.00 0.00 O ATOM 74 CB HIS A 5 124.708 86.656 48.221 1.00 0.00 C ATOM 75 CG HIS A 5 124.097 85.440 47.581 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.854 84.516 46.874 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.803 84.981 47.533 1.00 0.00 C ATOM 78 CE1 HIS A 5 124.018 83.557 46.435 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.759 83.795 46.810 1.00 0.00 N ATOM 0 H HIS A 5 122.330 87.282 47.698 1.00 0.00 H new ATOM 0 HA HIS A 5 124.844 88.769 47.836 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.791 86.545 48.277 1.00 0.00 H new ATOM 0 HB3 HIS A 5 124.345 86.763 49.243 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.952 85.467 47.987 1.00 0.00 H new ATOM 0 HE1 HIS A 5 124.327 82.702 45.852 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.937 83.226 46.608 1.00 0.00 H new ATOM 88 N LEU A 6 125.885 88.365 45.583 1.00 0.00 N ATOM 89 CA LEU A 6 126.403 88.247 44.183 1.00 0.00 C ATOM 90 C LEU A 6 127.927 88.044 44.234 1.00 0.00 C ATOM 91 O LEU A 6 128.668 88.946 44.571 1.00 0.00 O ATOM 92 CB LEU A 6 126.052 89.548 43.420 1.00 0.00 C ATOM 93 CG LEU A 6 125.244 89.265 42.134 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.955 88.470 42.459 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.889 90.611 41.454 1.00 0.00 C ATOM 0 H LEU A 6 126.428 88.979 46.190 1.00 0.00 H new ATOM 0 HA LEU A 6 125.952 87.398 43.670 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.478 90.207 44.071 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.970 90.076 43.162 1.00 0.00 H new ATOM 0 HG LEU A 6 125.848 88.661 41.457 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.402 88.282 41.539 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.221 87.520 42.923 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.334 89.048 43.144 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.318 90.420 40.545 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.293 91.217 42.136 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.806 91.144 41.202 1.00 0.00 H new ATOM 107 N CYS A 7 128.390 86.864 43.897 1.00 0.00 N ATOM 108 CA CYS A 7 129.862 86.578 43.912 1.00 0.00 C ATOM 109 C CYS A 7 130.312 86.226 42.488 1.00 0.00 C ATOM 110 O CYS A 7 129.507 86.121 41.585 1.00 0.00 O ATOM 111 CB CYS A 7 130.137 85.402 44.866 1.00 0.00 C ATOM 112 SG CYS A 7 131.785 85.583 45.596 1.00 0.00 S ATOM 0 H CYS A 7 127.806 86.079 43.609 1.00 0.00 H new ATOM 0 HA CYS A 7 130.416 87.451 44.258 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.382 85.374 45.651 1.00 0.00 H new ATOM 0 HB3 CYS A 7 130.070 84.458 44.325 1.00 0.00 H new ATOM 117 N GLY A 8 131.588 86.048 42.277 1.00 0.00 N ATOM 118 CA GLY A 8 132.072 85.712 40.907 1.00 0.00 C ATOM 119 C GLY A 8 131.657 86.821 39.939 1.00 0.00 C ATOM 120 O GLY A 8 131.483 87.958 40.329 1.00 0.00 O ATOM 0 H GLY A 8 132.314 86.120 42.990 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.156 85.602 40.909 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.655 84.758 40.585 1.00 0.00 H new ATOM 124 N SER A 9 131.494 86.508 38.680 1.00 0.00 N ATOM 125 CA SER A 9 131.087 87.561 37.707 1.00 0.00 C ATOM 126 C SER A 9 129.585 87.826 37.833 1.00 0.00 C ATOM 127 O SER A 9 129.082 88.800 37.314 1.00 0.00 O ATOM 128 CB SER A 9 131.432 87.130 36.284 1.00 0.00 C ATOM 129 OG SER A 9 131.145 85.745 36.126 1.00 0.00 O ATOM 0 H SER A 9 131.624 85.576 38.287 1.00 0.00 H new ATOM 0 HA SER A 9 131.630 88.480 37.929 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.858 87.716 35.566 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.486 87.320 36.080 1.00 0.00 H new ATOM 0 HG SER A 9 131.365 85.468 35.212 1.00 0.00 H new ATOM 135 N HIS A 10 128.849 87.005 38.548 1.00 0.00 N ATOM 136 CA HIS A 10 127.394 87.309 38.705 1.00 0.00 C ATOM 137 C HIS A 10 127.329 88.737 39.218 1.00 0.00 C ATOM 138 O HIS A 10 126.426 89.492 38.925 1.00 0.00 O ATOM 139 CB HIS A 10 126.736 86.362 39.725 1.00 0.00 C ATOM 140 CG HIS A 10 125.253 86.281 39.466 1.00 0.00 C ATOM 141 ND1 HIS A 10 124.537 87.335 38.918 1.00 0.00 N ATOM 142 CD2 HIS A 10 124.340 85.273 39.671 1.00 0.00 C ATOM 143 CE1 HIS A 10 123.253 86.943 38.813 1.00 0.00 C ATOM 144 NE2 HIS A 10 123.082 85.696 39.257 1.00 0.00 N ATOM 0 H HIS A 10 129.182 86.162 39.016 1.00 0.00 H new ATOM 0 HA HIS A 10 126.864 87.181 37.761 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.181 85.370 39.653 1.00 0.00 H new ATOM 0 HB3 HIS A 10 126.918 86.721 40.738 1.00 0.00 H new ATOM 0 HD1 HIS A 10 124.914 88.242 38.644 1.00 0.00 H new ATOM 0 HD2 HIS A 10 124.565 84.303 40.089 1.00 0.00 H new ATOM 0 HE1 HIS A 10 122.460 87.561 38.418 1.00 0.00 H new ATOM 153 N LEU A 11 128.340 89.104 39.954 1.00 0.00 N ATOM 154 CA LEU A 11 128.436 90.459 40.476 1.00 0.00 C ATOM 155 C LEU A 11 128.834 91.365 39.320 1.00 0.00 C ATOM 156 O LEU A 11 128.228 92.389 39.075 1.00 0.00 O ATOM 157 CB LEU A 11 129.506 90.464 41.556 1.00 0.00 C ATOM 158 CG LEU A 11 129.822 91.889 41.967 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.531 92.660 42.271 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.728 91.869 43.200 1.00 0.00 C ATOM 0 H LEU A 11 129.114 88.492 40.212 1.00 0.00 H new ATOM 0 HA LEU A 11 127.495 90.807 40.903 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.164 89.895 42.421 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.408 89.974 41.188 1.00 0.00 H new ATOM 0 HG LEU A 11 130.334 92.393 41.147 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.777 93.681 42.564 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.901 92.680 41.382 1.00 0.00 H new ATOM 0 HD13 LEU A 11 127.996 92.168 43.083 1.00 0.00 H new ATOM 0 HD21 LEU A 11 130.958 92.892 43.499 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.219 91.358 44.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.653 91.344 42.963 1.00 0.00 H new ATOM 172 N VAL A 12 129.837 90.971 38.581 1.00 0.00 N ATOM 173 CA VAL A 12 130.260 91.785 37.411 1.00 0.00 C ATOM 174 C VAL A 12 129.040 92.121 36.595 1.00 0.00 C ATOM 175 O VAL A 12 128.866 93.228 36.130 1.00 0.00 O ATOM 176 CB VAL A 12 131.175 90.972 36.485 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.262 91.676 35.110 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.560 90.833 37.107 1.00 0.00 C ATOM 0 H VAL A 12 130.379 90.122 38.739 1.00 0.00 H new ATOM 0 HA VAL A 12 130.777 92.670 37.782 1.00 0.00 H new ATOM 0 HB VAL A 12 130.763 89.972 36.348 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.911 91.103 34.448 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.266 91.744 34.672 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.670 92.678 35.240 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.201 90.255 36.442 1.00 0.00 H new ATOM 0 HG22 VAL A 12 132.992 91.822 37.258 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.478 90.323 38.067 1.00 0.00 H new ATOM 188 N GLU A 13 128.229 91.146 36.358 1.00 0.00 N ATOM 189 CA GLU A 13 127.069 91.379 35.512 1.00 0.00 C ATOM 190 C GLU A 13 126.347 92.619 35.978 1.00 0.00 C ATOM 191 O GLU A 13 126.226 93.579 35.260 1.00 0.00 O ATOM 192 CB GLU A 13 126.127 90.201 35.589 1.00 0.00 C ATOM 193 CG GLU A 13 125.223 90.206 34.357 1.00 0.00 C ATOM 194 CD GLU A 13 124.067 89.226 34.560 1.00 0.00 C ATOM 195 OE1 GLU A 13 123.253 89.472 35.434 1.00 0.00 O ATOM 196 OE2 GLU A 13 124.013 88.245 33.836 1.00 0.00 O1- ATOM 0 H GLU A 13 128.328 90.197 36.719 1.00 0.00 H new ATOM 0 HA GLU A 13 127.402 91.508 34.482 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.692 89.270 35.638 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.527 90.258 36.497 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.835 91.210 34.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.796 89.928 33.473 1.00 0.00 H new ATOM 203 N ALA A 14 125.896 92.600 37.201 1.00 0.00 N ATOM 204 CA ALA A 14 125.183 93.775 37.749 1.00 0.00 C ATOM 205 C ALA A 14 125.961 95.016 37.371 1.00 0.00 C ATOM 206 O ALA A 14 125.478 95.852 36.643 1.00 0.00 O ATOM 207 CB ALA A 14 125.126 93.655 39.271 1.00 0.00 C ATOM 0 H ALA A 14 125.994 91.814 37.844 1.00 0.00 H new ATOM 0 HA ALA A 14 124.170 93.830 37.352 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.602 94.517 39.685 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.596 92.743 39.544 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.139 93.620 39.671 1.00 0.00 H new ATOM 213 N LEU A 15 127.181 95.111 37.813 1.00 0.00 N ATOM 214 CA LEU A 15 128.013 96.281 37.440 1.00 0.00 C ATOM 215 C LEU A 15 127.865 96.530 35.939 1.00 0.00 C ATOM 216 O LEU A 15 127.633 97.636 35.510 1.00 0.00 O ATOM 217 CB LEU A 15 129.480 95.973 37.759 1.00 0.00 C ATOM 218 CG LEU A 15 129.688 95.941 39.281 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.858 95.015 39.625 1.00 0.00 C ATOM 220 CD2 LEU A 15 129.991 97.357 39.799 1.00 0.00 C ATOM 0 H LEU A 15 127.637 94.427 38.417 1.00 0.00 H new ATOM 0 HA LEU A 15 127.694 97.162 37.997 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.762 95.014 37.324 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.125 96.729 37.311 1.00 0.00 H new ATOM 0 HG LEU A 15 128.779 95.570 39.754 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.001 94.996 40.705 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.641 94.008 39.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.765 95.382 39.145 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.137 97.326 40.879 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.895 97.733 39.321 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.155 98.017 39.565 1.00 0.00 H new ATOM 232 N TYR A 16 127.966 95.496 35.142 1.00 0.00 N ATOM 233 CA TYR A 16 127.800 95.677 33.675 1.00 0.00 C ATOM 234 C TYR A 16 126.446 96.362 33.453 1.00 0.00 C ATOM 235 O TYR A 16 126.341 97.353 32.761 1.00 0.00 O ATOM 236 CB TYR A 16 127.891 94.284 32.969 1.00 0.00 C ATOM 237 CG TYR A 16 126.778 94.014 31.962 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.435 94.975 31.029 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.124 92.778 31.945 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.444 94.727 30.082 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.124 92.518 31.000 1.00 0.00 C ATOM 242 CZ TYR A 16 124.783 93.498 30.065 1.00 0.00 C ATOM 243 OH TYR A 16 123.800 93.250 29.128 1.00 0.00 O ATOM 0 H TYR A 16 128.155 94.541 35.445 1.00 0.00 H new ATOM 0 HA TYR A 16 128.585 96.299 33.245 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.851 94.211 32.459 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.874 93.503 33.729 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.941 95.929 31.035 1.00 0.00 H new ATOM 0 HD2 TYR A 16 126.392 92.019 32.665 1.00 0.00 H new ATOM 0 HE1 TYR A 16 125.187 95.487 29.359 1.00 0.00 H new ATOM 0 HE2 TYR A 16 124.618 91.564 30.994 1.00 0.00 H new ATOM 0 HH TYR A 16 123.445 92.346 29.258 1.00 0.00 H new ATOM 253 N LEU A 17 125.416 95.831 34.030 1.00 0.00 N ATOM 254 CA LEU A 17 124.064 96.429 33.851 1.00 0.00 C ATOM 255 C LEU A 17 124.082 97.908 34.190 1.00 0.00 C ATOM 256 O LEU A 17 123.778 98.760 33.379 1.00 0.00 O ATOM 257 CB LEU A 17 123.083 95.764 34.811 1.00 0.00 C ATOM 258 CG LEU A 17 123.222 94.260 34.719 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.178 93.582 35.612 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.055 93.788 33.284 1.00 0.00 C ATOM 0 H LEU A 17 125.447 95.002 34.624 1.00 0.00 H new ATOM 0 HA LEU A 17 123.769 96.283 32.812 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.276 96.095 35.831 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.063 96.060 34.567 1.00 0.00 H new ATOM 0 HG LEU A 17 124.221 93.988 35.059 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.285 92.500 35.540 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.327 93.893 36.646 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.178 93.870 35.286 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.159 92.704 33.243 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.067 94.072 32.920 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.819 94.250 32.658 1.00 0.00 H new ATOM 272 N VAL A 18 124.385 98.199 35.413 1.00 0.00 N ATOM 273 CA VAL A 18 124.373 99.594 35.879 1.00 0.00 C ATOM 274 C VAL A 18 125.492 100.396 35.187 1.00 0.00 C ATOM 275 O VAL A 18 125.369 101.585 34.972 1.00 0.00 O ATOM 276 CB VAL A 18 124.496 99.602 37.439 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.580 98.181 38.003 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.719 100.400 37.899 1.00 0.00 C ATOM 0 H VAL A 18 124.645 97.513 36.121 1.00 0.00 H new ATOM 0 HA VAL A 18 123.435 100.082 35.613 1.00 0.00 H new ATOM 0 HB VAL A 18 123.594 100.081 37.821 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.665 98.225 39.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.681 97.628 37.731 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.454 97.677 37.591 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.775 100.385 38.987 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.622 99.953 37.483 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.632 101.430 37.554 1.00 0.00 H new ATOM 288 N CYS A 19 126.579 99.763 34.852 1.00 0.00 N ATOM 289 CA CYS A 19 127.706 100.498 34.192 1.00 0.00 C ATOM 290 C CYS A 19 127.546 100.461 32.671 1.00 0.00 C ATOM 291 O CYS A 19 128.223 101.168 31.952 1.00 0.00 O ATOM 292 CB CYS A 19 129.035 99.851 34.599 1.00 0.00 C ATOM 293 SG CYS A 19 129.131 99.781 36.407 1.00 0.00 S ATOM 0 H CYS A 19 126.742 98.768 35.004 1.00 0.00 H new ATOM 0 HA CYS A 19 127.695 101.540 34.513 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.109 98.848 34.179 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.871 100.426 34.200 1.00 0.00 H new ATOM 298 N GLY A 20 126.646 99.660 32.179 1.00 0.00 N ATOM 299 CA GLY A 20 126.425 99.587 30.705 1.00 0.00 C ATOM 300 C GLY A 20 127.763 99.550 29.958 1.00 0.00 C ATOM 301 O GLY A 20 128.647 98.777 30.274 1.00 0.00 O ATOM 0 H GLY A 20 126.049 99.048 32.735 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.843 98.698 30.463 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.843 100.448 30.376 1.00 0.00 H new ATOM 305 N GLU A 21 127.904 100.375 28.954 1.00 0.00 N ATOM 306 CA GLU A 21 129.166 100.394 28.155 1.00 0.00 C ATOM 307 C GLU A 21 130.218 101.272 28.841 1.00 0.00 C ATOM 308 O GLU A 21 131.396 101.179 28.558 1.00 0.00 O ATOM 309 CB GLU A 21 128.863 100.948 26.751 1.00 0.00 C ATOM 310 CG GLU A 21 127.425 100.576 26.351 1.00 0.00 C ATOM 311 CD GLU A 21 126.442 101.617 26.897 1.00 0.00 C ATOM 312 OE1 GLU A 21 125.423 101.216 27.434 1.00 0.00 O ATOM 313 OE2 GLU A 21 126.725 102.796 26.768 1.00 0.00 O1- ATOM 0 H GLU A 21 127.194 101.042 28.651 1.00 0.00 H new ATOM 0 HA GLU A 21 129.557 99.380 28.077 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.986 102.031 26.742 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.570 100.541 26.028 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.344 100.521 25.265 1.00 0.00 H new ATOM 0 HG3 GLU A 21 127.175 99.589 26.739 1.00 0.00 H new ATOM 320 N ARG A 22 129.799 102.134 29.723 1.00 0.00 N ATOM 321 CA ARG A 22 130.775 103.032 30.417 1.00 0.00 C ATOM 322 C ARG A 22 131.987 102.226 30.895 1.00 0.00 C ATOM 323 O ARG A 22 132.997 102.781 31.278 1.00 0.00 O ATOM 324 CB ARG A 22 130.108 103.698 31.626 1.00 0.00 C ATOM 325 CG ARG A 22 128.947 104.576 31.152 1.00 0.00 C ATOM 326 CD ARG A 22 128.053 104.934 32.341 1.00 0.00 C ATOM 327 NE ARG A 22 127.022 105.919 31.908 1.00 0.00 N ATOM 328 CZ ARG A 22 127.354 107.165 31.704 1.00 0.00 C ATOM 329 NH1 ARG A 22 126.450 108.027 31.329 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 128.590 107.547 31.876 1.00 0.00 N ATOM 0 H ARG A 22 128.824 102.259 29.996 1.00 0.00 H new ATOM 0 HA ARG A 22 131.102 103.797 29.713 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.744 102.938 32.318 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.835 104.301 32.169 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.331 105.484 30.687 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.367 104.050 30.394 1.00 0.00 H new ATOM 0 HD2 ARG A 22 127.573 104.037 32.732 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.654 105.352 33.149 1.00 0.00 H new ATOM 0 HE ARG A 22 126.057 105.620 31.771 1.00 0.00 H new ATOM 0 HH11 ARG A 22 125.484 107.728 31.195 1.00 0.00 H new ATOM 0 HH12 ARG A 22 126.709 109.001 31.169 1.00 0.00 H new ATOM 0 HH21 ARG A 22 129.296 106.872 32.170 1.00 0.00 H new ATOM 0 HH22 ARG A 22 128.850 108.520 31.717 1.00 0.00 H new ATOM 344 N GLY A 23 131.900 100.923 30.883 1.00 0.00 N ATOM 345 CA GLY A 23 133.051 100.099 31.345 1.00 0.00 C ATOM 346 C GLY A 23 133.102 100.140 32.864 1.00 0.00 C ATOM 347 O GLY A 23 132.976 101.186 33.470 1.00 0.00 O ATOM 0 H GLY A 23 131.083 100.396 30.574 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.943 99.071 30.998 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.982 100.481 30.925 1.00 0.00 H new ATOM 351 N PHE A 24 133.267 99.003 33.481 1.00 0.00 N ATOM 352 CA PHE A 24 133.310 98.938 34.968 1.00 0.00 C ATOM 353 C PHE A 24 134.611 98.266 35.409 1.00 0.00 C ATOM 354 O PHE A 24 135.089 97.341 34.782 1.00 0.00 O ATOM 355 CB PHE A 24 132.111 98.121 35.435 1.00 0.00 C ATOM 356 CG PHE A 24 132.115 96.791 34.737 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.865 95.764 35.266 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.368 96.581 33.573 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.887 94.516 34.643 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.394 95.324 32.950 1.00 0.00 C ATOM 361 CZ PHE A 24 132.153 94.298 33.485 1.00 0.00 C ATOM 0 H PHE A 24 133.375 98.104 33.011 1.00 0.00 H new ATOM 0 HA PHE A 24 133.272 99.938 35.401 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.152 97.978 36.515 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.186 98.655 35.219 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.438 95.926 36.167 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.775 97.382 33.156 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.478 93.716 35.064 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.820 95.157 32.051 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.174 93.331 33.004 1.00 0.00 H new ATOM 371 N PHE A 25 135.192 98.735 36.478 1.00 0.00 N ATOM 372 CA PHE A 25 136.474 98.142 36.962 1.00 0.00 C ATOM 373 C PHE A 25 136.183 96.899 37.809 1.00 0.00 C ATOM 374 O PHE A 25 135.276 96.884 38.619 1.00 0.00 O ATOM 375 CB PHE A 25 137.222 99.185 37.808 1.00 0.00 C ATOM 376 CG PHE A 25 138.689 98.859 37.863 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.607 99.667 37.191 1.00 0.00 C ATOM 378 CD2 PHE A 25 139.132 97.755 38.598 1.00 0.00 C ATOM 379 CE1 PHE A 25 140.963 99.376 37.250 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.495 97.461 38.656 1.00 0.00 C ATOM 381 CZ PHE A 25 141.414 98.272 37.982 1.00 0.00 C ATOM 0 H PHE A 25 134.834 99.507 37.041 1.00 0.00 H new ATOM 0 HA PHE A 25 137.089 97.853 36.110 1.00 0.00 H new ATOM 0 HB2 PHE A 25 137.079 100.178 37.382 1.00 0.00 H new ATOM 0 HB3 PHE A 25 136.810 99.208 38.817 1.00 0.00 H new ATOM 0 HD1 PHE A 25 139.262 100.519 36.625 1.00 0.00 H new ATOM 0 HD2 PHE A 25 138.421 97.131 39.120 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.672 100.003 36.730 1.00 0.00 H new ATOM 0 HE2 PHE A 25 140.840 96.608 39.221 1.00 0.00 H new ATOM 0 HZ PHE A 25 142.469 98.047 38.026 1.00 0.00 H new ATOM 391 N TYR A 26 136.952 95.857 37.632 1.00 0.00 N ATOM 392 CA TYR A 26 136.732 94.615 38.427 1.00 0.00 C ATOM 393 C TYR A 26 137.883 93.638 38.171 1.00 0.00 C ATOM 394 O TYR A 26 138.359 92.973 39.069 1.00 0.00 O ATOM 395 CB TYR A 26 135.407 93.967 38.011 1.00 0.00 C ATOM 396 CG TYR A 26 135.013 92.919 39.023 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.562 93.309 40.287 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.094 91.560 38.698 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.191 92.344 41.225 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.723 90.593 39.637 1.00 0.00 C ATOM 401 CZ TYR A 26 134.272 90.985 40.903 1.00 0.00 C ATOM 402 OH TYR A 26 133.904 90.032 41.831 1.00 0.00 O ATOM 0 H TYR A 26 137.725 95.813 36.968 1.00 0.00 H new ATOM 0 HA TYR A 26 136.694 94.864 39.488 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.628 94.726 37.937 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.506 93.514 37.024 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.500 94.358 40.538 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.443 91.258 37.722 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.841 92.647 42.201 1.00 0.00 H new ATOM 0 HE2 TYR A 26 134.784 89.544 39.386 1.00 0.00 H new ATOM 0 HH TYR A 26 134.020 89.138 41.446 1.00 0.00 H new ATOM 412 N THR A 27 138.338 93.553 36.951 1.00 0.00 N ATOM 413 CA THR A 27 139.465 92.628 36.633 1.00 0.00 C ATOM 414 C THR A 27 139.114 91.214 37.115 1.00 0.00 C ATOM 415 O THR A 27 138.118 91.001 37.778 1.00 0.00 O ATOM 416 CB THR A 27 140.741 93.123 37.337 1.00 0.00 C ATOM 417 OG1 THR A 27 140.749 94.543 37.342 1.00 0.00 O ATOM 418 CG2 THR A 27 141.989 92.611 36.606 1.00 0.00 C ATOM 0 H THR A 27 137.978 94.085 36.159 1.00 0.00 H new ATOM 0 HA THR A 27 139.634 92.606 35.556 1.00 0.00 H new ATOM 0 HB THR A 27 140.752 92.744 38.359 1.00 0.00 H new ATOM 0 HG1 THR A 27 140.530 94.868 38.240 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.883 92.970 37.117 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.987 91.521 36.602 1.00 0.00 H new ATOM 0 HG23 THR A 27 141.986 92.978 35.580 1.00 0.00 H new ATOM 426 N ASP A 28 139.929 90.247 36.786 1.00 0.00 N ATOM 427 CA ASP A 28 139.654 88.852 37.218 1.00 0.00 C ATOM 428 C ASP A 28 140.131 88.682 38.672 1.00 0.00 C ATOM 429 O ASP A 28 140.879 89.491 39.184 1.00 0.00 O ATOM 430 CB ASP A 28 140.414 87.892 36.268 1.00 0.00 C ATOM 431 CG ASP A 28 139.429 87.089 35.406 1.00 0.00 C ATOM 432 OD1 ASP A 28 138.594 87.704 34.764 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.530 85.872 35.405 1.00 0.00 O1- ATOM 0 H ASP A 28 140.778 90.368 36.233 1.00 0.00 H new ATOM 0 HA ASP A 28 138.589 88.626 37.174 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.085 88.463 35.626 1.00 0.00 H new ATOM 0 HB3 ASP A 28 141.034 87.211 36.851 1.00 0.00 H new ATOM 438 N PRO A 29 139.657 87.756 39.370 1.00 0.00 N ATOM 439 CA PRO A 29 139.958 87.666 40.810 1.00 0.00 C ATOM 440 C PRO A 29 141.289 86.991 41.150 1.00 0.00 C ATOM 441 O PRO A 29 141.347 85.795 41.247 1.00 0.00 O ATOM 442 CB PRO A 29 138.773 86.854 41.316 1.00 0.00 C ATOM 443 CG PRO A 29 138.376 85.974 40.173 1.00 0.00 C ATOM 444 CD PRO A 29 138.843 86.655 38.894 1.00 0.00 C ATOM 0 HA PRO A 29 140.079 88.649 41.265 1.00 0.00 H new ATOM 0 HB2 PRO A 29 139.047 86.263 42.190 1.00 0.00 H new ATOM 0 HB3 PRO A 29 137.951 87.504 41.615 1.00 0.00 H new ATOM 0 HG2 PRO A 29 138.830 84.988 40.271 1.00 0.00 H new ATOM 0 HG3 PRO A 29 137.296 85.827 40.158 1.00 0.00 H new ATOM 0 HD2 PRO A 29 139.417 85.975 38.265 1.00 0.00 H new ATOM 0 HD3 PRO A 29 138.002 87.007 38.297 1.00 0.00 H new ATOM 452 N THR A 30 142.351 87.757 41.366 1.00 0.00 N ATOM 453 CA THR A 30 143.687 87.153 41.735 1.00 0.00 C ATOM 454 C THR A 30 144.809 88.155 41.372 1.00 0.00 C ATOM 455 O THR A 30 145.623 88.564 42.191 1.00 0.00 O ATOM 456 CB THR A 30 143.886 85.824 40.975 1.00 0.00 C ATOM 457 OG1 THR A 30 143.531 85.986 39.607 1.00 0.00 O ATOM 458 CG2 THR A 30 143.014 84.714 41.586 1.00 0.00 C ATOM 0 H THR A 30 142.347 88.775 41.302 1.00 0.00 H new ATOM 0 HA THR A 30 143.720 86.948 42.805 1.00 0.00 H new ATOM 0 HB THR A 30 144.936 85.543 41.055 1.00 0.00 H new ATOM 0 HG1 THR A 30 143.662 85.139 39.133 1.00 0.00 H new ATOM 0 HG21 THR A 30 143.169 83.786 41.036 1.00 0.00 H new ATOM 0 HG22 THR A 30 143.290 84.568 42.630 1.00 0.00 H new ATOM 0 HG23 THR A 30 141.964 85.001 41.525 1.00 0.00 H new ATOM 466 N GLU A 31 144.826 88.583 40.154 1.00 0.00 N ATOM 467 CA GLU A 31 145.845 89.590 39.708 1.00 0.00 C ATOM 468 C GLU A 31 146.246 90.562 40.844 1.00 0.00 C ATOM 469 O GLU A 31 147.325 90.486 41.410 1.00 0.00 O ATOM 470 CB GLU A 31 145.223 90.394 38.566 1.00 0.00 C ATOM 471 CG GLU A 31 144.908 89.419 37.445 1.00 0.00 C ATOM 472 CD GLU A 31 146.245 88.890 36.926 1.00 0.00 C ATOM 473 OE1 GLU A 31 146.308 87.740 36.531 1.00 0.00 O ATOM 474 OE2 GLU A 31 147.197 89.652 36.952 1.00 0.00 O1- ATOM 0 H GLU A 31 144.175 88.283 39.429 1.00 0.00 H new ATOM 0 HA GLU A 31 146.747 89.063 39.398 1.00 0.00 H new ATOM 0 HB2 GLU A 31 144.317 90.900 38.901 1.00 0.00 H new ATOM 0 HB3 GLU A 31 145.910 91.167 38.221 1.00 0.00 H new ATOM 0 HG2 GLU A 31 144.284 88.602 37.808 1.00 0.00 H new ATOM 0 HG3 GLU A 31 144.353 89.914 36.648 1.00 0.00 H new ATOM 481 N GLU A 32 145.399 91.501 41.145 1.00 0.00 N ATOM 482 CA GLU A 32 145.717 92.517 42.199 1.00 0.00 C ATOM 483 C GLU A 32 144.613 92.493 43.286 1.00 0.00 C ATOM 484 O GLU A 32 144.834 92.853 44.437 1.00 0.00 O ATOM 485 CB GLU A 32 145.746 93.902 41.520 1.00 0.00 C ATOM 486 CG GLU A 32 146.853 93.971 40.449 1.00 0.00 C ATOM 487 CD GLU A 32 146.217 94.154 39.064 1.00 0.00 C ATOM 488 OE1 GLU A 32 145.402 93.322 38.705 1.00 0.00 O ATOM 489 OE2 GLU A 32 146.559 95.115 38.383 1.00 0.00 O1- ATOM 0 H GLU A 32 144.486 91.615 40.704 1.00 0.00 H new ATOM 0 HA GLU A 32 146.677 92.301 42.668 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.778 94.106 41.061 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.913 94.675 42.270 1.00 0.00 H new ATOM 0 HG2 GLU A 32 147.529 94.799 40.663 1.00 0.00 H new ATOM 0 HG3 GLU A 32 147.450 93.059 40.469 1.00 0.00 H new ATOM 496 N GLY A 33 143.420 92.072 42.895 1.00 0.00 N ATOM 497 CA GLY A 33 142.236 91.999 43.834 1.00 0.00 C ATOM 498 C GLY A 33 140.956 92.491 43.101 1.00 0.00 C ATOM 499 O GLY A 33 141.037 93.338 42.237 1.00 0.00 O ATOM 0 H GLY A 33 143.214 91.769 41.943 1.00 0.00 H new ATOM 0 HA2 GLY A 33 142.097 90.975 44.181 1.00 0.00 H new ATOM 0 HA3 GLY A 33 142.420 92.612 44.716 1.00 0.00 H new ATOM 503 N PRO A 34 139.769 91.980 43.428 1.00 0.00 N ATOM 504 CA PRO A 34 138.509 92.416 42.752 1.00 0.00 C ATOM 505 C PRO A 34 138.015 93.753 43.297 1.00 0.00 C ATOM 506 O PRO A 34 136.837 94.049 43.284 1.00 0.00 O ATOM 507 CB PRO A 34 137.513 91.311 43.098 1.00 0.00 C ATOM 508 CG PRO A 34 137.956 90.799 44.421 1.00 0.00 C ATOM 509 CD PRO A 34 139.483 90.960 44.460 1.00 0.00 C ATOM 0 HA PRO A 34 138.647 92.560 41.680 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.495 91.697 43.144 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.521 90.522 42.346 1.00 0.00 H new ATOM 0 HG2 PRO A 34 137.486 91.357 45.231 1.00 0.00 H new ATOM 0 HG3 PRO A 34 137.672 89.754 44.548 1.00 0.00 H new ATOM 0 HD2 PRO A 34 139.824 91.283 45.444 1.00 0.00 H new ATOM 0 HD3 PRO A 34 139.988 90.019 44.240 1.00 0.00 H new ATOM 517 N ARG A 35 138.899 94.557 43.809 1.00 0.00 N ATOM 518 CA ARG A 35 138.460 95.846 44.381 1.00 0.00 C ATOM 519 C ARG A 35 138.000 95.557 45.800 1.00 0.00 C ATOM 520 O ARG A 35 137.943 96.421 46.642 1.00 0.00 O ATOM 521 CB ARG A 35 137.302 96.423 43.552 1.00 0.00 C ATOM 522 CG ARG A 35 137.278 97.948 43.678 1.00 0.00 C ATOM 523 CD ARG A 35 137.086 98.342 45.145 1.00 0.00 C ATOM 524 NE ARG A 35 136.757 99.796 45.225 1.00 0.00 N ATOM 525 CZ ARG A 35 136.245 100.301 46.319 1.00 0.00 C ATOM 526 NH1 ARG A 35 135.980 101.581 46.386 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 135.987 99.525 47.340 1.00 0.00 N ATOM 0 H ARG A 35 139.902 94.375 43.854 1.00 0.00 H new ATOM 0 HA ARG A 35 139.268 96.578 44.373 1.00 0.00 H new ATOM 0 HB2 ARG A 35 137.415 96.138 42.506 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.355 96.006 43.895 1.00 0.00 H new ATOM 0 HG2 ARG A 35 138.209 98.369 43.297 1.00 0.00 H new ATOM 0 HG3 ARG A 35 136.471 98.360 43.072 1.00 0.00 H new ATOM 0 HD2 ARG A 35 136.286 97.751 45.591 1.00 0.00 H new ATOM 0 HD3 ARG A 35 137.992 98.130 45.712 1.00 0.00 H new ATOM 0 HE ARG A 35 136.932 100.400 44.422 1.00 0.00 H new ATOM 0 HH11 ARG A 35 136.172 102.184 45.586 1.00 0.00 H new ATOM 0 HH12 ARG A 35 135.581 101.975 47.238 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.185 98.526 47.284 1.00 0.00 H new ATOM 0 HH22 ARG A 35 135.588 99.919 48.192 1.00 0.00 H new ATOM 541 N ARG A 36 137.685 94.324 46.075 1.00 0.00 N ATOM 542 CA ARG A 36 137.242 93.973 47.442 1.00 0.00 C ATOM 543 C ARG A 36 136.089 94.923 47.844 1.00 0.00 C ATOM 544 O ARG A 36 135.453 95.507 46.994 1.00 0.00 O ATOM 545 CB ARG A 36 138.463 94.100 48.364 1.00 0.00 C ATOM 546 CG ARG A 36 139.631 93.331 47.721 1.00 0.00 C ATOM 547 CD ARG A 36 140.897 93.468 48.574 1.00 0.00 C ATOM 548 NE ARG A 36 141.916 92.498 48.088 1.00 0.00 N ATOM 549 CZ ARG A 36 141.696 91.220 48.205 1.00 0.00 C ATOM 550 NH1 ARG A 36 142.549 90.363 47.714 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 140.625 90.800 48.823 1.00 0.00 N ATOM 0 H ARG A 36 137.716 93.549 45.412 1.00 0.00 H new ATOM 0 HA ARG A 36 136.861 92.954 47.512 1.00 0.00 H new ATOM 0 HB2 ARG A 36 138.728 95.148 48.502 1.00 0.00 H new ATOM 0 HB3 ARG A 36 138.238 93.695 49.351 1.00 0.00 H new ATOM 0 HG2 ARG A 36 139.368 92.278 47.617 1.00 0.00 H new ATOM 0 HG3 ARG A 36 139.818 93.714 46.718 1.00 0.00 H new ATOM 0 HD2 ARG A 36 141.285 94.485 48.511 1.00 0.00 H new ATOM 0 HD3 ARG A 36 140.667 93.279 49.622 1.00 0.00 H new ATOM 0 HE ARG A 36 142.782 92.833 47.666 1.00 0.00 H new ATOM 0 HH11 ARG A 36 143.388 90.694 47.238 1.00 0.00 H new ATOM 0 HH12 ARG A 36 142.376 89.362 47.806 1.00 0.00 H new ATOM 0 HH21 ARG A 36 139.964 91.472 49.212 1.00 0.00 H new ATOM 0 HH22 ARG A 36 140.449 89.800 48.917 1.00 0.00 H new ATOM 565 N GLY A 37 135.805 95.092 49.111 1.00 0.00 N ATOM 566 CA GLY A 37 134.702 96.009 49.509 1.00 0.00 C ATOM 567 C GLY A 37 133.385 95.483 48.945 1.00 0.00 C ATOM 568 O GLY A 37 132.613 94.839 49.627 1.00 0.00 O ATOM 0 H GLY A 37 136.290 94.634 49.883 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.645 96.078 50.595 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.896 97.014 49.135 1.00 0.00 H new ATOM 572 N ILE A 38 133.134 95.754 47.700 1.00 0.00 N ATOM 573 CA ILE A 38 131.881 95.285 47.052 1.00 0.00 C ATOM 574 C ILE A 38 131.757 93.768 47.192 1.00 0.00 C ATOM 575 O ILE A 38 130.696 93.234 47.429 1.00 0.00 O ATOM 576 CB ILE A 38 131.954 95.650 45.565 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.574 95.497 44.925 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.961 94.736 44.841 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.683 95.714 43.408 1.00 0.00 C ATOM 0 H ILE A 38 133.754 96.290 47.092 1.00 0.00 H new ATOM 0 HA ILE A 38 131.017 95.753 47.524 1.00 0.00 H new ATOM 0 HB ILE A 38 132.284 96.685 45.474 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.174 94.505 45.133 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.880 96.218 45.357 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.003 95.005 43.786 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.948 94.858 45.287 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.645 93.697 44.938 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.699 95.605 42.953 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.065 96.716 43.210 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.363 94.976 42.983 1.00 0.00 H new ATOM 591 N VAL A 39 132.843 93.086 47.006 1.00 0.00 N ATOM 592 CA VAL A 39 132.846 91.611 47.069 1.00 0.00 C ATOM 593 C VAL A 39 132.689 91.119 48.506 1.00 0.00 C ATOM 594 O VAL A 39 131.765 90.401 48.835 1.00 0.00 O ATOM 595 CB VAL A 39 134.205 91.169 46.525 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.451 89.698 46.834 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.260 91.416 45.010 1.00 0.00 C ATOM 0 H VAL A 39 133.752 93.503 46.808 1.00 0.00 H new ATOM 0 HA VAL A 39 132.016 91.200 46.494 1.00 0.00 H new ATOM 0 HB VAL A 39 134.988 91.753 47.009 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.423 89.401 46.439 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.435 89.545 47.913 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.671 89.094 46.371 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.230 91.100 44.625 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.471 90.846 44.519 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.118 92.478 44.809 1.00 0.00 H new ATOM 607 N GLU A 40 133.606 91.473 49.348 1.00 0.00 N ATOM 608 CA GLU A 40 133.548 91.005 50.753 1.00 0.00 C ATOM 609 C GLU A 40 132.156 91.245 51.349 1.00 0.00 C ATOM 610 O GLU A 40 131.704 90.498 52.192 1.00 0.00 O ATOM 611 CB GLU A 40 134.606 91.749 51.566 1.00 0.00 C ATOM 612 CG GLU A 40 135.856 91.977 50.710 1.00 0.00 C ATOM 613 CD GLU A 40 137.022 92.381 51.614 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.054 93.528 52.030 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.864 91.537 51.874 1.00 0.00 O1- ATOM 0 H GLU A 40 134.401 92.071 49.124 1.00 0.00 H new ATOM 0 HA GLU A 40 133.745 89.933 50.783 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.209 92.705 51.907 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.864 91.175 52.456 1.00 0.00 H new ATOM 0 HG2 GLU A 40 136.105 91.069 50.160 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.667 92.756 49.971 1.00 0.00 H new ATOM 622 N GLN A 41 131.471 92.281 50.933 1.00 0.00 N ATOM 623 CA GLN A 41 130.110 92.554 51.497 1.00 0.00 C ATOM 624 C GLN A 41 129.033 91.916 50.607 1.00 0.00 C ATOM 625 O GLN A 41 128.034 91.420 51.087 1.00 0.00 O ATOM 626 CB GLN A 41 129.888 94.070 51.596 1.00 0.00 C ATOM 627 CG GLN A 41 129.622 94.651 50.210 1.00 0.00 C ATOM 628 CD GLN A 41 129.752 96.176 50.256 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.763 96.880 50.303 1.00 0.00 O ATOM 630 NE2 GLN A 41 130.938 96.718 50.246 1.00 0.00 N ATOM 0 H GLN A 41 131.792 92.947 50.231 1.00 0.00 H new ATOM 0 HA GLN A 41 130.040 92.118 52.494 1.00 0.00 H new ATOM 0 HB2 GLN A 41 129.046 94.280 52.255 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.764 94.546 52.037 1.00 0.00 H new ATOM 0 HG2 GLN A 41 130.328 94.238 49.490 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.624 94.371 49.873 1.00 0.00 H new ATOM 0 HE21 GLN A 41 131.768 96.127 50.207 1.00 0.00 H new ATOM 0 HE22 GLN A 41 131.035 97.733 50.278 1.00 0.00 H new ATOM 639 N CYS A 42 129.223 91.931 49.317 1.00 0.00 N ATOM 640 CA CYS A 42 128.202 91.333 48.407 1.00 0.00 C ATOM 641 C CYS A 42 128.339 89.810 48.409 1.00 0.00 C ATOM 642 O CYS A 42 127.393 89.089 48.663 1.00 0.00 O ATOM 643 CB CYS A 42 128.421 91.852 46.983 1.00 0.00 C ATOM 644 SG CYS A 42 127.120 91.228 45.894 1.00 0.00 S ATOM 0 H CYS A 42 130.039 92.330 48.853 1.00 0.00 H new ATOM 0 HA CYS A 42 127.207 91.611 48.753 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.419 92.942 46.979 1.00 0.00 H new ATOM 0 HB3 CYS A 42 129.397 91.534 46.617 1.00 0.00 H new ATOM 649 N CYS A 43 129.507 89.318 48.112 1.00 0.00 N ATOM 650 CA CYS A 43 129.716 87.845 48.077 1.00 0.00 C ATOM 651 C CYS A 43 129.296 87.211 49.408 1.00 0.00 C ATOM 652 O CYS A 43 128.913 86.058 49.452 1.00 0.00 O ATOM 653 CB CYS A 43 131.196 87.559 47.813 1.00 0.00 C ATOM 654 SG CYS A 43 131.436 85.780 47.578 1.00 0.00 S ATOM 0 H CYS A 43 130.332 89.876 47.890 1.00 0.00 H new ATOM 0 HA CYS A 43 129.106 87.415 47.283 1.00 0.00 H new ATOM 0 HB2 CYS A 43 131.530 88.102 46.929 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.800 87.911 48.649 1.00 0.00 H new ATOM 659 N HIS A 44 129.370 87.946 50.494 1.00 0.00 N ATOM 660 CA HIS A 44 128.982 87.378 51.831 1.00 0.00 C ATOM 661 C HIS A 44 127.699 88.042 52.343 1.00 0.00 C ATOM 662 O HIS A 44 127.068 87.551 53.259 1.00 0.00 O ATOM 663 CB HIS A 44 130.107 87.632 52.835 1.00 0.00 C ATOM 664 CG HIS A 44 131.290 86.767 52.497 1.00 0.00 C ATOM 665 ND1 HIS A 44 131.835 86.719 51.221 1.00 0.00 N ATOM 666 CD2 HIS A 44 132.044 85.906 53.258 1.00 0.00 C ATOM 667 CE1 HIS A 44 132.869 85.859 51.253 1.00 0.00 C ATOM 668 NE2 HIS A 44 133.037 85.338 52.470 1.00 0.00 N ATOM 0 H HIS A 44 129.683 88.917 50.514 1.00 0.00 H new ATOM 0 HA HIS A 44 128.810 86.307 51.720 1.00 0.00 H new ATOM 0 HB2 HIS A 44 130.395 88.683 52.816 1.00 0.00 H new ATOM 0 HB3 HIS A 44 129.762 87.415 53.846 1.00 0.00 H new ATOM 0 HD2 HIS A 44 131.888 85.702 54.307 1.00 0.00 H new ATOM 0 HE1 HIS A 44 133.486 85.620 50.400 1.00 0.00 H new ATOM 0 HE2 HIS A 44 133.746 84.664 52.761 1.00 0.00 H new ATOM 677 N SER A 45 127.306 89.157 51.775 1.00 0.00 N ATOM 678 CA SER A 45 126.062 89.850 52.249 1.00 0.00 C ATOM 679 C SER A 45 125.284 90.403 51.045 1.00 0.00 C ATOM 680 O SER A 45 125.628 90.166 49.905 1.00 0.00 O ATOM 681 CB SER A 45 126.454 90.987 53.213 1.00 0.00 C ATOM 682 OG SER A 45 125.855 90.748 54.480 1.00 0.00 O ATOM 0 H SER A 45 127.791 89.618 51.005 1.00 0.00 H new ATOM 0 HA SER A 45 125.421 89.143 52.776 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.538 91.038 53.313 1.00 0.00 H new ATOM 0 HB3 SER A 45 126.125 91.947 52.816 1.00 0.00 H new ATOM 0 HG SER A 45 126.101 91.467 55.099 1.00 0.00 H new ATOM 688 N ILE A 46 124.237 91.143 51.301 1.00 0.00 N ATOM 689 CA ILE A 46 123.432 91.718 50.184 1.00 0.00 C ATOM 690 C ILE A 46 124.304 92.714 49.416 1.00 0.00 C ATOM 691 O ILE A 46 125.451 92.931 49.754 1.00 0.00 O ATOM 692 CB ILE A 46 122.187 92.431 50.754 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.435 91.509 51.736 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.244 92.849 49.617 1.00 0.00 C ATOM 695 CD1 ILE A 46 120.573 90.485 50.984 1.00 0.00 C ATOM 0 H ILE A 46 123.905 91.374 52.237 1.00 0.00 H new ATOM 0 HA ILE A 46 123.102 90.925 49.513 1.00 0.00 H new ATOM 0 HB ILE A 46 122.521 93.320 51.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.151 90.989 52.372 1.00 0.00 H new ATOM 0 HG13 ILE A 46 120.804 92.109 52.392 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.371 93.350 50.034 1.00 0.00 H new ATOM 0 HG22 ILE A 46 121.765 93.529 48.943 1.00 0.00 H new ATOM 0 HG23 ILE A 46 120.925 91.965 49.065 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.055 89.849 51.702 1.00 0.00 H new ATOM 0 HD12 ILE A 46 119.841 91.008 50.368 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.210 89.870 50.348 1.00 0.00 H new ATOM 707 N CYS A 47 123.784 93.313 48.374 1.00 0.00 N ATOM 708 CA CYS A 47 124.600 94.283 47.579 1.00 0.00 C ATOM 709 C CYS A 47 123.709 95.433 47.085 1.00 0.00 C ATOM 710 O CYS A 47 122.679 95.216 46.478 1.00 0.00 O ATOM 711 CB CYS A 47 125.222 93.542 46.378 1.00 0.00 C ATOM 712 SG CYS A 47 125.398 91.787 46.787 1.00 0.00 S ATOM 0 H CYS A 47 122.831 93.173 48.039 1.00 0.00 H new ATOM 0 HA CYS A 47 125.391 94.700 48.202 1.00 0.00 H new ATOM 0 HB2 CYS A 47 124.592 93.661 45.496 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.194 93.970 46.135 1.00 0.00 H new ATOM 717 N SER A 48 124.105 96.652 47.337 1.00 0.00 N ATOM 718 CA SER A 48 123.290 97.815 46.878 1.00 0.00 C ATOM 719 C SER A 48 123.582 98.081 45.403 1.00 0.00 C ATOM 720 O SER A 48 124.674 97.855 44.928 1.00 0.00 O ATOM 721 CB SER A 48 123.658 99.053 47.702 1.00 0.00 C ATOM 722 OG SER A 48 122.953 99.023 48.936 1.00 0.00 O ATOM 0 H SER A 48 124.958 96.893 47.841 1.00 0.00 H new ATOM 0 HA SER A 48 122.230 97.595 47.009 1.00 0.00 H new ATOM 0 HB2 SER A 48 124.732 99.076 47.884 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.409 99.959 47.150 1.00 0.00 H new ATOM 0 HG SER A 48 123.188 99.813 49.466 1.00 0.00 H new ATOM 728 N LEU A 49 122.618 98.579 44.684 1.00 0.00 N ATOM 729 CA LEU A 49 122.825 98.893 43.258 1.00 0.00 C ATOM 730 C LEU A 49 123.485 100.267 43.195 1.00 0.00 C ATOM 731 O LEU A 49 124.402 100.515 42.437 1.00 0.00 O ATOM 732 CB LEU A 49 121.445 98.868 42.566 1.00 0.00 C ATOM 733 CG LEU A 49 121.342 99.897 41.436 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.403 99.630 40.356 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.955 99.793 40.816 1.00 0.00 C ATOM 0 H LEU A 49 121.683 98.783 45.036 1.00 0.00 H new ATOM 0 HA LEU A 49 123.468 98.176 42.748 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.260 97.872 42.165 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.667 99.063 43.304 1.00 0.00 H new ATOM 0 HG LEU A 49 121.509 100.895 41.842 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.311 100.373 39.564 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.397 99.693 40.799 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.255 98.634 39.938 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.862 100.519 40.008 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.808 98.788 40.420 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.201 99.997 41.576 1.00 0.00 H new ATOM 747 N GLU A 50 123.015 101.147 44.015 1.00 0.00 N ATOM 748 CA GLU A 50 123.574 102.513 44.067 1.00 0.00 C ATOM 749 C GLU A 50 125.057 102.404 44.326 1.00 0.00 C ATOM 750 O GLU A 50 125.852 103.259 43.991 1.00 0.00 O ATOM 751 CB GLU A 50 122.901 103.226 45.222 1.00 0.00 C ATOM 752 CG GLU A 50 121.402 103.300 44.947 1.00 0.00 C ATOM 753 CD GLU A 50 120.752 104.313 45.890 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.160 103.887 46.868 1.00 0.00 O ATOM 755 OE2 GLU A 50 120.857 105.498 45.618 1.00 0.00 O1- ATOM 0 H GLU A 50 122.250 100.974 44.667 1.00 0.00 H new ATOM 0 HA GLU A 50 123.409 103.058 43.137 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.088 102.694 46.155 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.313 104.228 45.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.227 103.589 43.911 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.949 102.318 45.085 1.00 0.00 H new ATOM 762 N GLN A 51 125.401 101.333 44.935 1.00 0.00 N ATOM 763 CA GLN A 51 126.817 101.062 45.276 1.00 0.00 C ATOM 764 C GLN A 51 127.575 100.577 44.030 1.00 0.00 C ATOM 765 O GLN A 51 128.777 100.686 43.956 1.00 0.00 O ATOM 766 CB GLN A 51 126.850 99.992 46.371 1.00 0.00 C ATOM 767 CG GLN A 51 128.271 99.458 46.548 1.00 0.00 C ATOM 768 CD GLN A 51 128.371 98.690 47.867 1.00 0.00 C ATOM 769 OE1 GLN A 51 128.204 97.487 47.898 1.00 0.00 O ATOM 770 NE2 GLN A 51 128.637 99.340 48.968 1.00 0.00 N ATOM 0 H GLN A 51 124.748 100.605 45.224 1.00 0.00 H new ATOM 0 HA GLN A 51 127.300 101.972 45.633 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.493 100.413 47.311 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.177 99.175 46.111 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.531 98.805 45.715 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.984 100.283 46.541 1.00 0.00 H new ATOM 0 HE21 GLN A 51 128.777 100.350 48.943 1.00 0.00 H new ATOM 0 HE22 GLN A 51 128.704 98.838 49.853 1.00 0.00 H new ATOM 779 N LEU A 52 126.892 100.052 43.048 1.00 0.00 N ATOM 780 CA LEU A 52 127.596 99.582 41.821 1.00 0.00 C ATOM 781 C LEU A 52 127.772 100.770 40.875 1.00 0.00 C ATOM 782 O LEU A 52 128.657 100.808 40.047 1.00 0.00 O ATOM 783 CB LEU A 52 126.708 98.560 41.099 1.00 0.00 C ATOM 784 CG LEU A 52 126.221 97.477 42.028 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.226 96.615 41.255 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.376 96.615 42.478 1.00 0.00 C ATOM 0 H LEU A 52 125.879 99.929 43.043 1.00 0.00 H new ATOM 0 HA LEU A 52 128.556 99.145 42.094 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.852 99.071 40.658 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.267 98.109 40.279 1.00 0.00 H new ATOM 0 HG LEU A 52 125.756 97.922 42.907 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.854 95.820 41.901 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.391 97.232 40.922 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.721 96.176 40.388 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.010 95.837 43.148 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.846 96.154 41.609 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.107 97.231 43.002 1.00 0.00 H new ATOM 798 N GLU A 53 126.882 101.711 40.964 1.00 0.00 N ATOM 799 CA GLU A 53 126.915 102.876 40.057 1.00 0.00 C ATOM 800 C GLU A 53 128.163 103.730 40.292 1.00 0.00 C ATOM 801 O GLU A 53 128.566 104.490 39.434 1.00 0.00 O ATOM 802 CB GLU A 53 125.627 103.678 40.306 1.00 0.00 C ATOM 803 CG GLU A 53 124.554 103.294 39.276 1.00 0.00 C ATOM 804 CD GLU A 53 123.292 104.123 39.520 1.00 0.00 C ATOM 805 OE1 GLU A 53 122.249 103.528 39.741 1.00 0.00 O ATOM 806 OE2 GLU A 53 123.388 105.338 39.484 1.00 0.00 O1- ATOM 0 H GLU A 53 126.120 101.719 41.641 1.00 0.00 H new ATOM 0 HA GLU A 53 126.965 102.551 39.018 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.259 103.485 41.314 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.837 104.746 40.242 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.926 103.467 38.266 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.324 102.231 39.353 1.00 0.00 H new ATOM 813 N ASN A 54 128.792 103.608 41.421 1.00 0.00 N ATOM 814 CA ASN A 54 130.026 104.413 41.663 1.00 0.00 C ATOM 815 C ASN A 54 131.220 103.624 41.130 1.00 0.00 C ATOM 816 O ASN A 54 132.334 104.108 41.074 1.00 0.00 O ATOM 817 CB ASN A 54 130.188 104.695 43.158 1.00 0.00 C ATOM 818 CG ASN A 54 130.449 103.406 43.925 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.539 102.869 43.887 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.489 102.890 44.635 1.00 0.00 N ATOM 0 H ASN A 54 128.513 102.992 42.185 1.00 0.00 H new ATOM 0 HA ASN A 54 129.959 105.372 41.150 1.00 0.00 H new ATOM 0 HB2 ASN A 54 131.013 105.390 43.314 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.288 105.176 43.542 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.649 102.032 45.162 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.576 103.344 44.664 1.00 0.00 H new ATOM 827 N TYR A 55 130.981 102.400 40.751 1.00 0.00 N ATOM 828 CA TYR A 55 132.075 101.535 40.224 1.00 0.00 C ATOM 829 C TYR A 55 132.223 101.773 38.718 1.00 0.00 C ATOM 830 O TYR A 55 133.268 101.558 38.138 1.00 0.00 O ATOM 831 CB TYR A 55 131.741 100.054 40.456 1.00 0.00 C ATOM 832 CG TYR A 55 131.902 99.737 41.905 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.220 100.476 42.853 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.767 98.736 42.296 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.403 100.219 44.200 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.947 98.464 43.645 1.00 0.00 C ATOM 837 CZ TYR A 55 132.268 99.210 44.606 1.00 0.00 C ATOM 838 OH TYR A 55 132.455 98.955 45.949 1.00 0.00 O ATOM 0 H TYR A 55 130.063 101.956 40.784 1.00 0.00 H new ATOM 0 HA TYR A 55 133.001 101.783 40.743 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.720 99.845 40.137 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.398 99.422 39.858 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.542 101.257 42.541 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.304 98.165 41.553 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.873 100.804 44.937 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.615 97.672 43.951 1.00 0.00 H new ATOM 0 HH TYR A 55 131.638 99.179 46.441 1.00 0.00 H new ATOM 848 N CYS A 56 131.162 102.192 38.086 1.00 0.00 N ATOM 849 CA CYS A 56 131.186 102.426 36.615 1.00 0.00 C ATOM 850 C CYS A 56 132.093 103.606 36.260 1.00 0.00 C ATOM 851 O CYS A 56 131.670 104.742 36.284 1.00 0.00 O ATOM 852 CB CYS A 56 129.766 102.733 36.153 1.00 0.00 C ATOM 853 SG CYS A 56 128.610 101.638 37.014 1.00 0.00 S ATOM 0 H CYS A 56 130.266 102.385 38.534 1.00 0.00 H new ATOM 0 HA CYS A 56 131.574 101.535 36.121 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.521 103.775 36.359 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.683 102.594 35.075 1.00 0.00 H new ATOM 858 N ASN A 57 133.323 103.324 35.905 1.00 0.00 N ATOM 859 CA ASN A 57 134.304 104.392 35.508 1.00 0.00 C ATOM 860 C ASN A 57 135.722 103.875 35.788 1.00 0.00 C ATOM 861 O ASN A 57 136.463 103.694 34.835 1.00 0.00 O ATOM 862 CB ASN A 57 134.039 105.699 36.291 1.00 0.00 C ATOM 863 CG ASN A 57 135.317 106.544 36.407 1.00 0.00 C ATOM 864 OD1 ASN A 57 135.496 107.497 35.676 1.00 0.00 O ATOM 865 ND2 ASN A 57 136.213 106.229 37.302 1.00 0.00 N ATOM 866 OXT ASN A 57 136.040 103.670 36.948 1.00 0.00 O ATOM 0 H ASN A 57 133.700 102.377 35.872 1.00 0.00 H new ATOM 0 HA ASN A 57 134.193 104.617 34.447 1.00 0.00 H new ATOM 0 HB2 ASN A 57 133.262 106.276 35.789 1.00 0.00 H new ATOM 0 HB3 ASN A 57 133.666 105.460 37.287 1.00 0.00 H new ATOM 0 HD21 ASN A 57 137.065 106.784 37.388 1.00 0.00 H new ATOM 0 HD22 ASN A 57 136.062 105.428 37.915 1.00 0.00 H new