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 Set 1.1: A 41 GLN : amide:sc= -0.643 K(o=-2.2,f=0.73) USER MOD Set 1.2: A 51 GLN : amide:sc= -1.55! K(o=-2.2!,f=0.73) USER MOD Single : A 1 PHE N :NH3+ -178:sc= 0.0332 (180deg=0.0265) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 4 GLN : amide:sc= -0.925 K(o=-0.92,f=0.088) USER MOD Single : A 5 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-1.2) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 10 HIS : no HD1:sc= -0.0355 X(o=-0.035,f=-0.075) 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 180:sc=-0.000666 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0487 X(o=-0.049,f=-0.07) USER MOD Single : A 45 SER OG : rot 21:sc= 0.00506 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -7.66! C(o=-7.7!,f=-6.6!) USER MOD Single : A 55 TYR OH : rot 30:sc= -0.593 USER MOD Single : A 57 ASN : amide:sc= -2.95! C(o=-3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 119.642 90.635 39.076 1.00 0.00 N ATOM 2 CA PHE A 1 120.291 91.100 40.307 1.00 0.00 C ATOM 3 C PHE A 1 119.315 91.951 41.140 1.00 0.00 C ATOM 4 O PHE A 1 118.904 92.992 40.690 1.00 0.00 O ATOM 5 CB PHE A 1 121.614 91.858 39.928 1.00 0.00 C ATOM 6 CG PHE A 1 121.460 93.307 39.417 1.00 0.00 C ATOM 7 CD1 PHE A 1 120.857 93.599 38.182 1.00 0.00 C ATOM 8 CD2 PHE A 1 122.019 94.358 40.169 1.00 0.00 C ATOM 9 CE1 PHE A 1 120.815 94.937 37.711 1.00 0.00 C ATOM 10 CE2 PHE A 1 121.964 95.686 39.706 1.00 0.00 C ATOM 11 CZ PHE A 1 121.369 95.973 38.479 1.00 0.00 C ATOM 0 H1 PHE A 1 120.302 90.034 38.541 1.00 0.00 H new ATOM 0 H2 PHE A 1 118.792 90.086 39.318 1.00 0.00 H new ATOM 0 H3 PHE A 1 119.371 91.454 38.495 1.00 0.00 H new ATOM 0 HA PHE A 1 120.566 90.257 40.940 1.00 0.00 H new ATOM 0 HB2 PHE A 1 122.261 91.873 40.805 1.00 0.00 H new ATOM 0 HB3 PHE A 1 122.130 91.280 39.162 1.00 0.00 H new ATOM 0 HD1 PHE A 1 120.425 92.805 37.591 1.00 0.00 H new ATOM 0 HD2 PHE A 1 122.496 94.142 41.114 1.00 0.00 H new ATOM 0 HE1 PHE A 1 120.356 95.159 36.759 1.00 0.00 H new ATOM 0 HE2 PHE A 1 122.383 96.483 40.302 1.00 0.00 H new ATOM 0 HZ PHE A 1 121.334 96.991 38.120 1.00 0.00 H new ATOM 23 N VAL A 2 118.956 91.506 42.376 1.00 0.00 N ATOM 24 CA VAL A 2 118.069 92.333 43.251 1.00 0.00 C ATOM 25 C VAL A 2 118.456 92.143 44.715 1.00 0.00 C ATOM 26 O VAL A 2 117.954 91.262 45.383 1.00 0.00 O ATOM 27 CB VAL A 2 116.623 91.891 43.063 1.00 0.00 C ATOM 28 CG1 VAL A 2 115.718 92.718 43.978 1.00 0.00 C ATOM 29 CG2 VAL A 2 116.215 92.101 41.606 1.00 0.00 C ATOM 0 H VAL A 2 119.251 90.617 42.779 1.00 0.00 H new ATOM 0 HA VAL A 2 118.180 93.383 42.979 1.00 0.00 H new ATOM 0 HB VAL A 2 116.525 90.835 43.316 1.00 0.00 H new ATOM 0 HG11 VAL A 2 114.683 92.404 43.846 1.00 0.00 H new ATOM 0 HG12 VAL A 2 116.014 92.566 45.016 1.00 0.00 H new ATOM 0 HG13 VAL A 2 115.812 93.774 43.725 1.00 0.00 H new ATOM 0 HG21 VAL A 2 115.181 91.786 41.469 1.00 0.00 H new ATOM 0 HG22 VAL A 2 116.309 93.156 41.350 1.00 0.00 H new ATOM 0 HG23 VAL A 2 116.863 91.511 40.958 1.00 0.00 H new ATOM 39 N ASN A 3 119.337 92.970 45.218 1.00 0.00 N ATOM 40 CA ASN A 3 119.765 92.857 46.644 1.00 0.00 C ATOM 41 C ASN A 3 119.922 91.387 47.032 1.00 0.00 C ATOM 42 O ASN A 3 119.369 90.942 48.015 1.00 0.00 O ATOM 43 CB ASN A 3 118.716 93.513 47.551 1.00 0.00 C ATOM 44 CG ASN A 3 118.101 94.715 46.835 1.00 0.00 C ATOM 45 OD1 ASN A 3 116.946 94.688 46.462 1.00 0.00 O ATOM 46 ND2 ASN A 3 118.830 95.774 46.627 1.00 0.00 N ATOM 0 H ASN A 3 119.782 93.725 44.696 1.00 0.00 H new ATOM 0 HA ASN A 3 120.723 93.363 46.765 1.00 0.00 H new ATOM 0 HB2 ASN A 3 117.939 92.792 47.806 1.00 0.00 H new ATOM 0 HB3 ASN A 3 119.176 93.830 48.487 1.00 0.00 H new ATOM 0 HD21 ASN A 3 118.431 96.582 46.150 1.00 0.00 H new ATOM 0 HD22 ASN A 3 119.800 95.795 46.941 1.00 0.00 H new ATOM 53 N GLN A 4 120.659 90.632 46.264 1.00 0.00 N ATOM 54 CA GLN A 4 120.849 89.181 46.586 1.00 0.00 C ATOM 55 C GLN A 4 122.334 88.812 46.488 1.00 0.00 C ATOM 56 O GLN A 4 123.122 89.513 45.885 1.00 0.00 O ATOM 57 CB GLN A 4 120.034 88.336 45.603 1.00 0.00 C ATOM 58 CG GLN A 4 120.635 88.452 44.198 1.00 0.00 C ATOM 59 CD GLN A 4 119.613 87.978 43.163 1.00 0.00 C ATOM 60 OE1 GLN A 4 119.879 87.070 42.400 1.00 0.00 O ATOM 61 NE2 GLN A 4 118.446 88.559 43.102 1.00 0.00 N ATOM 0 H GLN A 4 121.141 90.954 45.425 1.00 0.00 H new ATOM 0 HA GLN A 4 120.507 88.987 47.603 1.00 0.00 H new ATOM 0 HB2 GLN A 4 120.029 87.294 45.922 1.00 0.00 H new ATOM 0 HB3 GLN A 4 118.997 88.671 45.594 1.00 0.00 H new ATOM 0 HG2 GLN A 4 120.919 89.485 43.997 1.00 0.00 H new ATOM 0 HG3 GLN A 4 121.543 87.852 44.129 1.00 0.00 H new ATOM 0 HE21 GLN A 4 118.222 89.321 43.742 1.00 0.00 H new ATOM 0 HE22 GLN A 4 117.758 88.251 42.415 1.00 0.00 H new ATOM 70 N HIS A 5 122.717 87.718 47.092 1.00 0.00 N ATOM 71 CA HIS A 5 124.147 87.294 47.061 1.00 0.00 C ATOM 72 C HIS A 5 124.673 87.301 45.623 1.00 0.00 C ATOM 73 O HIS A 5 124.127 86.665 44.745 1.00 0.00 O ATOM 74 CB HIS A 5 124.272 85.885 47.648 1.00 0.00 C ATOM 75 CG HIS A 5 123.599 84.888 46.740 1.00 0.00 C ATOM 76 ND1 HIS A 5 124.062 83.588 46.600 1.00 0.00 N ATOM 77 CD2 HIS A 5 122.499 84.985 45.923 1.00 0.00 C ATOM 78 CE1 HIS A 5 123.252 82.959 45.729 1.00 0.00 C ATOM 79 NE2 HIS A 5 122.286 83.767 45.288 1.00 0.00 N ATOM 0 H HIS A 5 122.096 87.096 47.609 1.00 0.00 H new ATOM 0 HA HIS A 5 124.738 87.993 47.653 1.00 0.00 H new ATOM 0 HB2 HIS A 5 125.323 85.625 47.771 1.00 0.00 H new ATOM 0 HB3 HIS A 5 123.817 85.853 48.638 1.00 0.00 H new ATOM 0 HD2 HIS A 5 121.894 85.870 45.794 1.00 0.00 H new ATOM 0 HE1 HIS A 5 123.369 81.929 45.425 1.00 0.00 H new ATOM 0 HE2 HIS A 5 121.546 83.539 44.624 1.00 0.00 H new ATOM 88 N LEU A 6 125.748 88.012 45.388 1.00 0.00 N ATOM 89 CA LEU A 6 126.349 88.077 44.018 1.00 0.00 C ATOM 90 C LEU A 6 127.867 87.863 44.142 1.00 0.00 C ATOM 91 O LEU A 6 128.580 88.712 44.640 1.00 0.00 O ATOM 92 CB LEU A 6 126.050 89.475 43.410 1.00 0.00 C ATOM 93 CG LEU A 6 125.153 89.391 42.158 1.00 0.00 C ATOM 94 CD1 LEU A 6 123.889 88.544 42.428 1.00 0.00 C ATOM 95 CD2 LEU A 6 124.740 90.819 41.761 1.00 0.00 C ATOM 0 H LEU A 6 126.241 88.557 46.095 1.00 0.00 H new ATOM 0 HA LEU A 6 125.928 87.308 43.370 1.00 0.00 H new ATOM 0 HB2 LEU A 6 125.564 90.099 44.161 1.00 0.00 H new ATOM 0 HB3 LEU A 6 126.989 89.963 43.149 1.00 0.00 H new ATOM 0 HG LEU A 6 125.711 88.911 41.354 1.00 0.00 H new ATOM 0 HD11 LEU A 6 123.278 88.504 41.526 1.00 0.00 H new ATOM 0 HD12 LEU A 6 124.182 87.533 42.712 1.00 0.00 H new ATOM 0 HD13 LEU A 6 123.314 88.996 43.236 1.00 0.00 H new ATOM 0 HD21 LEU A 6 124.104 90.781 40.876 1.00 0.00 H new ATOM 0 HD22 LEU A 6 124.192 91.281 42.582 1.00 0.00 H new ATOM 0 HD23 LEU A 6 125.631 91.408 41.543 1.00 0.00 H new ATOM 107 N CYS A 7 128.360 86.734 43.688 1.00 0.00 N ATOM 108 CA CYS A 7 129.831 86.447 43.766 1.00 0.00 C ATOM 109 C CYS A 7 130.360 86.186 42.353 1.00 0.00 C ATOM 110 O CYS A 7 129.632 86.272 41.386 1.00 0.00 O ATOM 111 CB CYS A 7 130.065 85.209 44.636 1.00 0.00 C ATOM 112 SG CYS A 7 129.272 85.447 46.246 1.00 0.00 S ATOM 0 H CYS A 7 127.803 85.993 43.263 1.00 0.00 H new ATOM 0 HA CYS A 7 130.352 87.298 44.205 1.00 0.00 H new ATOM 0 HB2 CYS A 7 129.659 84.324 44.146 1.00 0.00 H new ATOM 0 HB3 CYS A 7 131.134 85.039 44.766 1.00 0.00 H new ATOM 117 N GLY A 8 131.622 85.874 42.219 1.00 0.00 N ATOM 118 CA GLY A 8 132.182 85.620 40.857 1.00 0.00 C ATOM 119 C GLY A 8 131.754 86.754 39.922 1.00 0.00 C ATOM 120 O GLY A 8 131.538 87.869 40.353 1.00 0.00 O ATOM 0 H GLY A 8 132.286 85.784 42.988 1.00 0.00 H new ATOM 0 HA2 GLY A 8 133.269 85.560 40.902 1.00 0.00 H new ATOM 0 HA3 GLY A 8 131.825 84.663 40.476 1.00 0.00 H new ATOM 124 N SER A 9 131.617 86.487 38.651 1.00 0.00 N ATOM 125 CA SER A 9 131.192 87.571 37.721 1.00 0.00 C ATOM 126 C SER A 9 129.685 87.798 37.870 1.00 0.00 C ATOM 127 O SER A 9 129.157 88.792 37.417 1.00 0.00 O ATOM 128 CB SER A 9 131.536 87.200 36.279 1.00 0.00 C ATOM 129 OG SER A 9 131.280 85.818 36.069 1.00 0.00 O ATOM 0 H SER A 9 131.779 85.576 38.221 1.00 0.00 H new ATOM 0 HA SER A 9 131.722 88.490 37.970 1.00 0.00 H new ATOM 0 HB2 SER A 9 130.944 87.799 35.587 1.00 0.00 H new ATOM 0 HB3 SER A 9 132.584 87.421 36.076 1.00 0.00 H new ATOM 0 HG SER A 9 131.499 85.582 35.144 1.00 0.00 H new ATOM 135 N HIS A 10 128.977 86.911 38.533 1.00 0.00 N ATOM 136 CA HIS A 10 127.512 87.152 38.722 1.00 0.00 C ATOM 137 C HIS A 10 127.381 88.554 39.293 1.00 0.00 C ATOM 138 O HIS A 10 126.395 89.241 39.115 1.00 0.00 O ATOM 139 CB HIS A 10 126.926 86.137 39.708 1.00 0.00 C ATOM 140 CG HIS A 10 127.177 84.743 39.202 1.00 0.00 C ATOM 141 ND1 HIS A 10 126.943 84.381 37.883 1.00 0.00 N ATOM 142 CD2 HIS A 10 127.644 83.611 39.825 1.00 0.00 C ATOM 143 CE1 HIS A 10 127.269 83.081 37.755 1.00 0.00 C ATOM 144 NE2 HIS A 10 127.700 82.568 38.909 1.00 0.00 N ATOM 0 H HIS A 10 129.341 86.050 38.942 1.00 0.00 H new ATOM 0 HA HIS A 10 126.974 87.048 37.780 1.00 0.00 H new ATOM 0 HB2 HIS A 10 127.379 86.266 40.691 1.00 0.00 H new ATOM 0 HB3 HIS A 10 125.856 86.305 39.826 1.00 0.00 H new ATOM 0 HD2 HIS A 10 127.924 83.543 40.866 1.00 0.00 H new ATOM 0 HE1 HIS A 10 127.191 82.523 36.834 1.00 0.00 H new ATOM 0 HE2 HIS A 10 128.006 81.611 39.082 1.00 0.00 H new ATOM 153 N LEU A 11 128.425 88.987 39.943 1.00 0.00 N ATOM 154 CA LEU A 11 128.467 90.335 40.501 1.00 0.00 C ATOM 155 C LEU A 11 128.840 91.273 39.360 1.00 0.00 C ATOM 156 O LEU A 11 128.185 92.265 39.106 1.00 0.00 O ATOM 157 CB LEU A 11 129.538 90.347 41.578 1.00 0.00 C ATOM 158 CG LEU A 11 129.858 91.773 41.987 1.00 0.00 C ATOM 159 CD1 LEU A 11 128.571 92.543 42.295 1.00 0.00 C ATOM 160 CD2 LEU A 11 130.770 91.753 43.217 1.00 0.00 C ATOM 0 H LEU A 11 129.267 88.434 40.107 1.00 0.00 H new ATOM 0 HA LEU A 11 127.517 90.644 40.936 1.00 0.00 H new ATOM 0 HB2 LEU A 11 129.198 89.781 42.445 1.00 0.00 H new ATOM 0 HB3 LEU A 11 130.439 89.856 41.210 1.00 0.00 H new ATOM 0 HG LEU A 11 130.368 92.276 41.165 1.00 0.00 H new ATOM 0 HD11 LEU A 11 128.819 93.564 42.587 1.00 0.00 H new ATOM 0 HD12 LEU A 11 127.938 92.563 41.408 1.00 0.00 H new ATOM 0 HD13 LEU A 11 128.039 92.052 43.110 1.00 0.00 H new ATOM 0 HD21 LEU A 11 131.002 92.776 43.514 1.00 0.00 H new ATOM 0 HD22 LEU A 11 130.264 91.243 44.037 1.00 0.00 H new ATOM 0 HD23 LEU A 11 131.694 91.226 42.977 1.00 0.00 H new ATOM 172 N VAL A 12 129.882 90.935 38.642 1.00 0.00 N ATOM 173 CA VAL A 12 130.301 91.770 37.483 1.00 0.00 C ATOM 174 C VAL A 12 129.085 92.100 36.659 1.00 0.00 C ATOM 175 O VAL A 12 128.904 93.211 36.206 1.00 0.00 O ATOM 176 CB VAL A 12 131.237 90.971 36.563 1.00 0.00 C ATOM 177 CG1 VAL A 12 131.312 91.659 35.180 1.00 0.00 C ATOM 178 CG2 VAL A 12 132.622 90.877 37.189 1.00 0.00 C ATOM 0 H VAL A 12 130.461 90.112 38.812 1.00 0.00 H new ATOM 0 HA VAL A 12 130.798 92.662 37.864 1.00 0.00 H new ATOM 0 HB VAL A 12 130.847 89.961 36.434 1.00 0.00 H new ATOM 0 HG11 VAL A 12 131.976 91.092 34.527 1.00 0.00 H new ATOM 0 HG12 VAL A 12 130.316 91.698 34.739 1.00 0.00 H new ATOM 0 HG13 VAL A 12 131.697 92.672 35.298 1.00 0.00 H new ATOM 0 HG21 VAL A 12 133.281 90.309 36.532 1.00 0.00 H new ATOM 0 HG22 VAL A 12 133.026 91.879 37.330 1.00 0.00 H new ATOM 0 HG23 VAL A 12 132.552 90.375 38.154 1.00 0.00 H new ATOM 188 N GLU A 13 128.290 91.118 36.398 1.00 0.00 N ATOM 189 CA GLU A 13 127.136 91.347 35.542 1.00 0.00 C ATOM 190 C GLU A 13 126.410 92.586 36.000 1.00 0.00 C ATOM 191 O GLU A 13 126.289 93.544 35.278 1.00 0.00 O ATOM 192 CB GLU A 13 126.196 90.167 35.613 1.00 0.00 C ATOM 193 CG GLU A 13 125.294 90.180 34.381 1.00 0.00 C ATOM 194 CD GLU A 13 124.135 89.202 34.577 1.00 0.00 C ATOM 195 OE1 GLU A 13 124.169 88.459 35.544 1.00 0.00 O ATOM 196 OE2 GLU A 13 123.232 89.212 33.757 1.00 0.00 O1- ATOM 0 H GLU A 13 128.398 90.165 36.746 1.00 0.00 H new ATOM 0 HA GLU A 13 127.476 91.475 34.514 1.00 0.00 H new ATOM 0 HB2 GLU A 13 126.762 89.236 35.657 1.00 0.00 H new ATOM 0 HB3 GLU A 13 125.595 90.218 36.521 1.00 0.00 H new ATOM 0 HG2 GLU A 13 124.909 91.185 34.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 125.868 89.905 33.496 1.00 0.00 H new ATOM 203 N ALA A 14 125.960 92.572 37.221 1.00 0.00 N ATOM 204 CA ALA A 14 125.244 93.744 37.764 1.00 0.00 C ATOM 205 C ALA A 14 126.013 94.992 37.383 1.00 0.00 C ATOM 206 O ALA A 14 125.528 95.822 36.650 1.00 0.00 O ATOM 207 CB ALA A 14 125.196 93.627 39.286 1.00 0.00 C ATOM 0 H ALA A 14 126.061 91.790 37.868 1.00 0.00 H new ATOM 0 HA ALA A 14 124.230 93.793 37.366 1.00 0.00 H new ATOM 0 HB1 ALA A 14 124.670 94.487 39.701 1.00 0.00 H new ATOM 0 HB2 ALA A 14 124.673 92.712 39.564 1.00 0.00 H new ATOM 0 HB3 ALA A 14 126.212 93.598 39.681 1.00 0.00 H new ATOM 213 N LEU A 15 127.228 95.097 37.833 1.00 0.00 N ATOM 214 CA LEU A 15 128.055 96.273 37.469 1.00 0.00 C ATOM 215 C LEU A 15 127.919 96.524 35.967 1.00 0.00 C ATOM 216 O LEU A 15 127.722 97.637 35.531 1.00 0.00 O ATOM 217 CB LEU A 15 129.518 95.969 37.797 1.00 0.00 C ATOM 218 CG LEU A 15 129.712 95.921 39.320 1.00 0.00 C ATOM 219 CD1 LEU A 15 130.879 94.992 39.669 1.00 0.00 C ATOM 220 CD2 LEU A 15 130.003 97.335 39.854 1.00 0.00 C ATOM 0 H LEU A 15 127.685 94.416 38.439 1.00 0.00 H new ATOM 0 HA LEU A 15 127.726 97.152 38.024 1.00 0.00 H new ATOM 0 HB2 LEU A 15 129.809 95.016 37.354 1.00 0.00 H new ATOM 0 HB3 LEU A 15 130.164 96.733 37.363 1.00 0.00 H new ATOM 0 HG LEU A 15 128.800 95.541 39.781 1.00 0.00 H new ATOM 0 HD11 LEU A 15 131.010 94.963 40.751 1.00 0.00 H new ATOM 0 HD12 LEU A 15 130.667 93.988 39.302 1.00 0.00 H new ATOM 0 HD13 LEU A 15 131.792 95.363 39.203 1.00 0.00 H new ATOM 0 HD21 LEU A 15 130.140 97.295 40.935 1.00 0.00 H new ATOM 0 HD22 LEU A 15 130.910 97.721 39.388 1.00 0.00 H new ATOM 0 HD23 LEU A 15 129.166 97.992 39.618 1.00 0.00 H new ATOM 232 N TYR A 16 127.999 95.486 35.175 1.00 0.00 N ATOM 233 CA TYR A 16 127.847 95.668 33.710 1.00 0.00 C ATOM 234 C TYR A 16 126.488 96.339 33.481 1.00 0.00 C ATOM 235 O TYR A 16 126.372 97.322 32.776 1.00 0.00 O ATOM 236 CB TYR A 16 127.962 94.277 33.004 1.00 0.00 C ATOM 237 CG TYR A 16 126.859 93.995 31.991 1.00 0.00 C ATOM 238 CD1 TYR A 16 126.214 92.755 31.971 1.00 0.00 C ATOM 239 CD2 TYR A 16 126.518 94.951 31.053 1.00 0.00 C ATOM 240 CE1 TYR A 16 125.229 92.483 31.014 1.00 0.00 C ATOM 241 CE2 TYR A 16 125.535 94.696 30.099 1.00 0.00 C ATOM 242 CZ TYR A 16 124.887 93.458 30.076 1.00 0.00 C ATOM 243 OH TYR A 16 123.918 93.200 29.129 1.00 0.00 O ATOM 0 H TYR A 16 128.162 94.527 35.482 1.00 0.00 H new ATOM 0 HA TYR A 16 128.628 96.299 33.285 1.00 0.00 H new ATOM 0 HB2 TYR A 16 128.926 94.217 32.500 1.00 0.00 H new ATOM 0 HB3 TYR A 16 127.950 93.495 33.763 1.00 0.00 H new ATOM 0 HD1 TYR A 16 126.477 92.002 32.699 1.00 0.00 H new ATOM 0 HD2 TYR A 16 127.020 95.907 31.060 1.00 0.00 H new ATOM 0 HE1 TYR A 16 124.736 91.522 31.002 1.00 0.00 H new ATOM 0 HE2 TYR A 16 125.274 95.455 29.377 1.00 0.00 H new ATOM 0 HH TYR A 16 123.803 93.987 28.556 1.00 0.00 H new ATOM 253 N LEU A 17 125.465 95.806 34.070 1.00 0.00 N ATOM 254 CA LEU A 17 124.105 96.385 33.891 1.00 0.00 C ATOM 255 C LEU A 17 124.097 97.861 34.241 1.00 0.00 C ATOM 256 O LEU A 17 123.782 98.714 33.435 1.00 0.00 O ATOM 257 CB LEU A 17 123.129 95.700 34.841 1.00 0.00 C ATOM 258 CG LEU A 17 123.287 94.199 34.733 1.00 0.00 C ATOM 259 CD1 LEU A 17 122.250 93.495 35.614 1.00 0.00 C ATOM 260 CD2 LEU A 17 123.134 93.738 33.292 1.00 0.00 C ATOM 0 H LEU A 17 125.508 94.986 34.675 1.00 0.00 H new ATOM 0 HA LEU A 17 123.818 96.241 32.849 1.00 0.00 H new ATOM 0 HB2 LEU A 17 123.315 96.023 35.865 1.00 0.00 H new ATOM 0 HB3 LEU A 17 122.106 95.987 34.597 1.00 0.00 H new ATOM 0 HG LEU A 17 124.289 93.939 35.075 1.00 0.00 H new ATOM 0 HD11 LEU A 17 122.373 92.415 35.529 1.00 0.00 H new ATOM 0 HD12 LEU A 17 122.391 93.795 36.652 1.00 0.00 H new ATOM 0 HD13 LEU A 17 121.247 93.773 35.289 1.00 0.00 H new ATOM 0 HD21 LEU A 17 123.252 92.656 33.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 122.145 94.013 32.925 1.00 0.00 H new ATOM 0 HD23 LEU A 17 123.895 94.215 32.675 1.00 0.00 H new ATOM 272 N VAL A 18 124.392 98.152 35.469 1.00 0.00 N ATOM 273 CA VAL A 18 124.354 99.545 35.941 1.00 0.00 C ATOM 274 C VAL A 18 125.432 100.378 35.224 1.00 0.00 C ATOM 275 O VAL A 18 125.227 101.536 34.920 1.00 0.00 O ATOM 276 CB VAL A 18 124.509 99.556 37.496 1.00 0.00 C ATOM 277 CG1 VAL A 18 124.603 98.131 38.057 1.00 0.00 C ATOM 278 CG2 VAL A 18 125.743 100.353 37.932 1.00 0.00 C ATOM 0 H VAL A 18 124.662 97.467 36.175 1.00 0.00 H new ATOM 0 HA VAL A 18 123.397 100.007 35.699 1.00 0.00 H new ATOM 0 HB VAL A 18 123.618 100.039 37.897 1.00 0.00 H new ATOM 0 HG11 VAL A 18 124.710 98.173 39.141 1.00 0.00 H new ATOM 0 HG12 VAL A 18 123.698 97.580 37.803 1.00 0.00 H new ATOM 0 HG13 VAL A 18 125.468 97.627 37.626 1.00 0.00 H new ATOM 0 HG21 VAL A 18 125.819 100.339 39.019 1.00 0.00 H new ATOM 0 HG22 VAL A 18 126.637 99.904 37.500 1.00 0.00 H new ATOM 0 HG23 VAL A 18 125.651 101.383 37.588 1.00 0.00 H new ATOM 288 N CYS A 19 126.574 99.811 34.961 1.00 0.00 N ATOM 289 CA CYS A 19 127.647 100.591 34.276 1.00 0.00 C ATOM 290 C CYS A 19 127.383 100.633 32.770 1.00 0.00 C ATOM 291 O CYS A 19 127.856 101.507 32.072 1.00 0.00 O ATOM 292 CB CYS A 19 128.999 99.921 34.525 1.00 0.00 C ATOM 293 SG CYS A 19 130.338 100.907 33.793 1.00 0.00 S ATOM 0 H CYS A 19 126.813 98.846 35.188 1.00 0.00 H new ATOM 0 HA CYS A 19 127.655 101.607 34.671 1.00 0.00 H new ATOM 0 HB2 CYS A 19 129.165 99.809 35.596 1.00 0.00 H new ATOM 0 HB3 CYS A 19 129.000 98.919 34.096 1.00 0.00 H new ATOM 298 N GLY A 20 126.633 99.697 32.260 1.00 0.00 N ATOM 299 CA GLY A 20 126.346 99.687 30.798 1.00 0.00 C ATOM 300 C GLY A 20 127.628 99.367 30.024 1.00 0.00 C ATOM 301 O GLY A 20 128.467 98.613 30.474 1.00 0.00 O ATOM 0 H GLY A 20 126.206 98.938 32.792 1.00 0.00 H new ATOM 0 HA2 GLY A 20 125.579 98.946 30.573 1.00 0.00 H new ATOM 0 HA3 GLY A 20 125.954 100.656 30.488 1.00 0.00 H new ATOM 305 N GLU A 21 127.787 99.938 28.859 1.00 0.00 N ATOM 306 CA GLU A 21 129.011 99.673 28.045 1.00 0.00 C ATOM 307 C GLU A 21 130.141 100.585 28.524 1.00 0.00 C ATOM 308 O GLU A 21 131.300 100.368 28.234 1.00 0.00 O ATOM 309 CB GLU A 21 128.705 99.949 26.562 1.00 0.00 C ATOM 310 CG GLU A 21 127.229 99.630 26.275 1.00 0.00 C ATOM 311 CD GLU A 21 126.355 100.842 26.617 1.00 0.00 C ATOM 312 OE1 GLU A 21 125.548 100.727 27.524 1.00 0.00 O ATOM 313 OE2 GLU A 21 126.509 101.861 25.965 1.00 0.00 O1- ATOM 0 H GLU A 21 127.118 100.580 28.434 1.00 0.00 H new ATOM 0 HA GLU A 21 129.316 98.633 28.160 1.00 0.00 H new ATOM 0 HB2 GLU A 21 128.916 100.992 26.324 1.00 0.00 H new ATOM 0 HB3 GLU A 21 129.350 99.341 25.927 1.00 0.00 H new ATOM 0 HG2 GLU A 21 127.103 99.365 25.225 1.00 0.00 H new ATOM 0 HG3 GLU A 21 126.914 98.767 26.862 1.00 0.00 H new ATOM 320 N ARG A 22 129.796 101.611 29.244 1.00 0.00 N ATOM 321 CA ARG A 22 130.825 102.566 29.750 1.00 0.00 C ATOM 322 C ARG A 22 132.016 101.804 30.336 1.00 0.00 C ATOM 323 O ARG A 22 133.060 102.371 30.590 1.00 0.00 O ATOM 324 CB ARG A 22 130.203 103.439 30.843 1.00 0.00 C ATOM 325 CG ARG A 22 129.005 104.198 30.272 1.00 0.00 C ATOM 326 CD ARG A 22 128.302 104.958 31.397 1.00 0.00 C ATOM 327 NE ARG A 22 126.992 105.469 30.906 1.00 0.00 N ATOM 328 CZ ARG A 22 126.954 106.433 30.027 1.00 0.00 C ATOM 329 NH1 ARG A 22 125.807 106.877 29.593 1.00 0.00 N1+ ATOM 330 NH2 ARG A 22 128.066 106.956 29.585 1.00 0.00 N ATOM 0 H ARG A 22 128.836 101.834 29.508 1.00 0.00 H new ATOM 0 HA ARG A 22 131.172 103.186 28.923 1.00 0.00 H new ATOM 0 HB2 ARG A 22 129.887 102.819 31.682 1.00 0.00 H new ATOM 0 HB3 ARG A 22 130.943 104.142 31.226 1.00 0.00 H new ATOM 0 HG2 ARG A 22 129.335 104.893 29.500 1.00 0.00 H new ATOM 0 HG3 ARG A 22 128.311 103.502 29.799 1.00 0.00 H new ATOM 0 HD2 ARG A 22 128.151 104.302 32.254 1.00 0.00 H new ATOM 0 HD3 ARG A 22 128.924 105.787 31.735 1.00 0.00 H new ATOM 0 HE ARG A 22 126.124 105.065 31.257 1.00 0.00 H new ATOM 0 HH11 ARG A 22 124.938 106.471 29.941 1.00 0.00 H new ATOM 0 HH12 ARG A 22 125.779 107.630 28.906 1.00 0.00 H new ATOM 0 HH21 ARG A 22 128.963 106.611 29.927 1.00 0.00 H new ATOM 0 HH22 ARG A 22 128.038 107.709 28.898 1.00 0.00 H new ATOM 344 N GLY A 23 131.873 100.526 30.561 1.00 0.00 N ATOM 345 CA GLY A 23 133.003 99.744 31.139 1.00 0.00 C ATOM 346 C GLY A 23 133.027 99.952 32.647 1.00 0.00 C ATOM 347 O GLY A 23 132.956 101.064 33.132 1.00 0.00 O ATOM 0 H GLY A 23 131.026 99.991 30.370 1.00 0.00 H new ATOM 0 HA2 GLY A 23 132.887 98.685 30.906 1.00 0.00 H new ATOM 0 HA3 GLY A 23 133.947 100.065 30.699 1.00 0.00 H new ATOM 351 N PHE A 24 133.107 98.883 33.392 1.00 0.00 N ATOM 352 CA PHE A 24 133.118 98.980 34.880 1.00 0.00 C ATOM 353 C PHE A 24 134.455 98.459 35.410 1.00 0.00 C ATOM 354 O PHE A 24 135.075 97.596 34.821 1.00 0.00 O ATOM 355 CB PHE A 24 131.978 98.118 35.408 1.00 0.00 C ATOM 356 CG PHE A 24 132.055 96.767 34.762 1.00 0.00 C ATOM 357 CD1 PHE A 24 132.790 95.778 35.374 1.00 0.00 C ATOM 358 CD2 PHE A 24 131.397 96.509 33.558 1.00 0.00 C ATOM 359 CE1 PHE A 24 132.888 94.515 34.791 1.00 0.00 C ATOM 360 CE2 PHE A 24 131.494 95.236 32.973 1.00 0.00 C ATOM 361 CZ PHE A 24 132.240 94.247 33.591 1.00 0.00 C ATOM 0 H PHE A 24 133.166 97.932 33.027 1.00 0.00 H new ATOM 0 HA PHE A 24 132.992 100.013 35.204 1.00 0.00 H new ATOM 0 HB2 PHE A 24 132.047 98.023 36.492 1.00 0.00 H new ATOM 0 HB3 PHE A 24 131.018 98.587 35.190 1.00 0.00 H new ATOM 0 HD1 PHE A 24 133.292 95.980 36.308 1.00 0.00 H new ATOM 0 HD2 PHE A 24 130.817 97.284 33.079 1.00 0.00 H new ATOM 0 HE1 PHE A 24 133.469 93.743 35.273 1.00 0.00 H new ATOM 0 HE2 PHE A 24 130.987 95.029 32.042 1.00 0.00 H new ATOM 0 HZ PHE A 24 132.318 93.268 33.141 1.00 0.00 H new ATOM 371 N PHE A 25 134.912 98.984 36.516 1.00 0.00 N ATOM 372 CA PHE A 25 136.219 98.529 37.078 1.00 0.00 C ATOM 373 C PHE A 25 136.011 97.286 37.949 1.00 0.00 C ATOM 374 O PHE A 25 135.347 97.330 38.965 1.00 0.00 O ATOM 375 CB PHE A 25 136.823 99.654 37.927 1.00 0.00 C ATOM 376 CG PHE A 25 138.282 99.385 38.164 1.00 0.00 C ATOM 377 CD1 PHE A 25 139.242 100.118 37.470 1.00 0.00 C ATOM 378 CD2 PHE A 25 138.673 98.409 39.085 1.00 0.00 C ATOM 379 CE1 PHE A 25 140.592 99.882 37.692 1.00 0.00 C ATOM 380 CE2 PHE A 25 140.031 98.168 39.309 1.00 0.00 C ATOM 381 CZ PHE A 25 140.994 98.907 38.612 1.00 0.00 C ATOM 0 H PHE A 25 134.437 99.708 37.055 1.00 0.00 H new ATOM 0 HA PHE A 25 136.895 98.280 36.260 1.00 0.00 H new ATOM 0 HB2 PHE A 25 136.698 100.611 37.421 1.00 0.00 H new ATOM 0 HB3 PHE A 25 136.298 99.726 38.879 1.00 0.00 H new ATOM 0 HD1 PHE A 25 138.936 100.871 36.759 1.00 0.00 H new ATOM 0 HD2 PHE A 25 137.927 97.842 39.622 1.00 0.00 H new ATOM 0 HE1 PHE A 25 141.334 100.452 37.153 1.00 0.00 H new ATOM 0 HE2 PHE A 25 140.337 97.413 40.018 1.00 0.00 H new ATOM 0 HZ PHE A 25 142.045 98.725 38.784 1.00 0.00 H new ATOM 391 N TYR A 26 136.585 96.180 37.559 1.00 0.00 N ATOM 392 CA TYR A 26 136.440 94.932 38.363 1.00 0.00 C ATOM 393 C TYR A 26 137.543 93.951 37.965 1.00 0.00 C ATOM 394 O TYR A 26 137.767 92.953 38.622 1.00 0.00 O ATOM 395 CB TYR A 26 135.072 94.295 38.098 1.00 0.00 C ATOM 396 CG TYR A 26 134.840 93.183 39.091 1.00 0.00 C ATOM 397 CD1 TYR A 26 134.340 93.476 40.364 1.00 0.00 C ATOM 398 CD2 TYR A 26 135.127 91.858 38.739 1.00 0.00 C ATOM 399 CE1 TYR A 26 134.124 92.447 41.285 1.00 0.00 C ATOM 400 CE2 TYR A 26 134.911 90.827 39.661 1.00 0.00 C ATOM 401 CZ TYR A 26 134.409 91.121 40.935 1.00 0.00 C ATOM 402 OH TYR A 26 134.194 90.106 41.844 1.00 0.00 O ATOM 0 H TYR A 26 137.150 96.087 36.715 1.00 0.00 H new ATOM 0 HA TYR A 26 136.521 95.173 39.423 1.00 0.00 H new ATOM 0 HB2 TYR A 26 134.286 95.045 38.184 1.00 0.00 H new ATOM 0 HB3 TYR A 26 135.030 93.905 37.081 1.00 0.00 H new ATOM 0 HD1 TYR A 26 134.121 94.498 40.636 1.00 0.00 H new ATOM 0 HD2 TYR A 26 135.515 91.632 37.757 1.00 0.00 H new ATOM 0 HE1 TYR A 26 133.737 92.675 42.267 1.00 0.00 H new ATOM 0 HE2 TYR A 26 135.131 89.805 39.390 1.00 0.00 H new ATOM 0 HH TYR A 26 134.442 89.248 41.441 1.00 0.00 H new ATOM 412 N THR A 27 138.237 94.230 36.896 1.00 0.00 N ATOM 413 CA THR A 27 139.330 93.320 36.454 1.00 0.00 C ATOM 414 C THR A 27 138.767 91.918 36.211 1.00 0.00 C ATOM 415 O THR A 27 137.685 91.751 35.684 1.00 0.00 O ATOM 416 CB THR A 27 140.417 93.266 37.539 1.00 0.00 C ATOM 417 OG1 THR A 27 140.553 94.552 38.129 1.00 0.00 O ATOM 418 CG2 THR A 27 141.756 92.843 36.924 1.00 0.00 C ATOM 0 H THR A 27 138.093 95.051 36.308 1.00 0.00 H new ATOM 0 HA THR A 27 139.764 93.694 35.526 1.00 0.00 H new ATOM 0 HB THR A 27 140.130 92.538 38.298 1.00 0.00 H new ATOM 0 HG1 THR A 27 141.244 94.522 38.823 1.00 0.00 H new ATOM 0 HG21 THR A 27 142.519 92.808 37.702 1.00 0.00 H new ATOM 0 HG22 THR A 27 141.653 91.856 36.472 1.00 0.00 H new ATOM 0 HG23 THR A 27 142.049 93.563 36.160 1.00 0.00 H new ATOM 426 N ASP A 28 139.505 90.912 36.592 1.00 0.00 N ATOM 427 CA ASP A 28 139.058 89.507 36.397 1.00 0.00 C ATOM 428 C ASP A 28 138.565 88.969 37.753 1.00 0.00 C ATOM 429 O ASP A 28 138.814 89.563 38.783 1.00 0.00 O ATOM 430 CB ASP A 28 140.275 88.699 35.887 1.00 0.00 C ATOM 431 CG ASP A 28 140.072 88.268 34.427 1.00 0.00 C ATOM 432 OD1 ASP A 28 140.513 87.183 34.083 1.00 0.00 O ATOM 433 OD2 ASP A 28 139.478 89.030 33.683 1.00 0.00 O1- ATOM 0 H ASP A 28 140.417 91.009 37.039 1.00 0.00 H new ATOM 0 HA ASP A 28 138.246 89.430 35.674 1.00 0.00 H new ATOM 0 HB2 ASP A 28 141.179 89.303 35.970 1.00 0.00 H new ATOM 0 HB3 ASP A 28 140.421 87.819 36.513 1.00 0.00 H new ATOM 438 N PRO A 29 137.883 87.828 37.735 1.00 0.00 N ATOM 439 CA PRO A 29 137.350 87.183 38.965 1.00 0.00 C ATOM 440 C PRO A 29 138.467 86.542 39.744 1.00 0.00 C ATOM 441 O PRO A 29 138.341 86.251 40.911 1.00 0.00 O ATOM 442 CB PRO A 29 136.430 86.085 38.445 1.00 0.00 C ATOM 443 CG PRO A 29 137.047 85.699 37.151 1.00 0.00 C ATOM 444 CD PRO A 29 137.559 87.011 36.542 1.00 0.00 C ATOM 0 HA PRO A 29 136.851 87.899 39.618 1.00 0.00 H new ATOM 0 HB2 PRO A 29 136.382 85.242 39.134 1.00 0.00 H new ATOM 0 HB3 PRO A 29 135.410 86.446 38.311 1.00 0.00 H new ATOM 0 HG2 PRO A 29 137.861 84.990 37.299 1.00 0.00 H new ATOM 0 HG3 PRO A 29 136.320 85.218 36.496 1.00 0.00 H new ATOM 0 HD2 PRO A 29 138.435 86.850 35.913 1.00 0.00 H new ATOM 0 HD3 PRO A 29 136.803 87.489 35.919 1.00 0.00 H new ATOM 452 N THR A 30 139.562 86.297 39.090 1.00 0.00 N ATOM 453 CA THR A 30 140.686 85.653 39.788 1.00 0.00 C ATOM 454 C THR A 30 141.840 86.645 39.943 1.00 0.00 C ATOM 455 O THR A 30 141.661 87.737 40.438 1.00 0.00 O ATOM 456 CB THR A 30 141.120 84.407 39.012 1.00 0.00 C ATOM 457 OG1 THR A 30 140.355 84.298 37.817 1.00 0.00 O ATOM 458 CG2 THR A 30 140.867 83.186 39.888 1.00 0.00 C ATOM 0 H THR A 30 139.721 86.516 38.107 1.00 0.00 H new ATOM 0 HA THR A 30 140.375 85.344 40.786 1.00 0.00 H new ATOM 0 HB THR A 30 142.177 84.475 38.753 1.00 0.00 H new ATOM 0 HG1 THR A 30 140.635 83.501 37.321 1.00 0.00 H new ATOM 0 HG21 THR A 30 141.170 82.286 39.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 141.444 83.273 40.809 1.00 0.00 H new ATOM 0 HG23 THR A 30 139.806 83.125 40.129 1.00 0.00 H new ATOM 466 N GLU A 31 143.022 86.276 39.561 1.00 0.00 N ATOM 467 CA GLU A 31 144.160 87.203 39.734 1.00 0.00 C ATOM 468 C GLU A 31 144.293 87.495 41.212 1.00 0.00 C ATOM 469 O GLU A 31 145.101 86.904 41.897 1.00 0.00 O ATOM 470 CB GLU A 31 143.896 88.506 38.997 1.00 0.00 C ATOM 471 CG GLU A 31 144.936 88.688 37.899 1.00 0.00 C ATOM 472 CD GLU A 31 144.872 90.127 37.405 1.00 0.00 C ATOM 473 OE1 GLU A 31 145.190 90.353 36.251 1.00 0.00 O ATOM 474 OE2 GLU A 31 144.488 90.977 38.191 1.00 0.00 O1- ATOM 0 H GLU A 31 143.248 85.376 39.138 1.00 0.00 H new ATOM 0 HA GLU A 31 145.069 86.753 39.335 1.00 0.00 H new ATOM 0 HB2 GLU A 31 142.895 88.496 38.566 1.00 0.00 H new ATOM 0 HB3 GLU A 31 143.936 89.344 39.693 1.00 0.00 H new ATOM 0 HG2 GLU A 31 145.932 88.462 38.280 1.00 0.00 H new ATOM 0 HG3 GLU A 31 144.745 87.997 37.078 1.00 0.00 H new ATOM 481 N GLU A 32 143.494 88.389 41.722 1.00 0.00 N ATOM 482 CA GLU A 32 143.597 88.682 43.166 1.00 0.00 C ATOM 483 C GLU A 32 142.322 89.325 43.714 1.00 0.00 C ATOM 484 O GLU A 32 141.548 89.940 43.002 1.00 0.00 O ATOM 485 CB GLU A 32 144.787 89.594 43.455 1.00 0.00 C ATOM 486 CG GLU A 32 145.295 90.343 42.209 1.00 0.00 C ATOM 487 CD GLU A 32 146.721 90.801 42.551 1.00 0.00 C ATOM 488 OE1 GLU A 32 147.118 90.549 43.675 1.00 0.00 O ATOM 489 OE2 GLU A 32 147.393 91.377 41.706 1.00 0.00 O1- ATOM 0 H GLU A 32 142.789 88.917 41.208 1.00 0.00 H new ATOM 0 HA GLU A 32 143.742 87.725 43.668 1.00 0.00 H new ATOM 0 HB2 GLU A 32 144.503 90.320 44.217 1.00 0.00 H new ATOM 0 HB3 GLU A 32 145.600 88.999 43.870 1.00 0.00 H new ATOM 0 HG2 GLU A 32 145.292 89.694 41.334 1.00 0.00 H new ATOM 0 HG3 GLU A 32 144.656 91.195 41.976 1.00 0.00 H new ATOM 496 N GLY A 33 142.124 89.158 44.999 1.00 0.00 N ATOM 497 CA GLY A 33 140.926 89.703 45.702 1.00 0.00 C ATOM 498 C GLY A 33 140.537 91.072 45.146 1.00 0.00 C ATOM 499 O GLY A 33 141.210 92.051 45.378 1.00 0.00 O ATOM 0 H GLY A 33 142.766 88.649 45.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 140.090 89.012 45.592 1.00 0.00 H new ATOM 0 HA3 GLY A 33 141.133 89.786 46.769 1.00 0.00 H new ATOM 503 N PRO A 34 139.442 91.135 44.438 1.00 0.00 N ATOM 504 CA PRO A 34 138.908 92.394 43.829 1.00 0.00 C ATOM 505 C PRO A 34 138.817 93.553 44.834 1.00 0.00 C ATOM 506 O PRO A 34 139.230 93.433 45.975 1.00 0.00 O ATOM 507 CB PRO A 34 137.506 91.983 43.356 1.00 0.00 C ATOM 508 CG PRO A 34 137.227 90.718 44.081 1.00 0.00 C ATOM 509 CD PRO A 34 138.554 90.018 44.136 1.00 0.00 C ATOM 0 HA PRO A 34 139.556 92.767 43.036 1.00 0.00 H new ATOM 0 HB2 PRO A 34 136.767 92.748 43.593 1.00 0.00 H new ATOM 0 HB3 PRO A 34 137.478 91.836 42.276 1.00 0.00 H new ATOM 0 HG2 PRO A 34 136.838 90.911 45.081 1.00 0.00 H new ATOM 0 HG3 PRO A 34 136.482 90.117 43.559 1.00 0.00 H new ATOM 0 HD2 PRO A 34 138.583 89.248 44.907 1.00 0.00 H new ATOM 0 HD3 PRO A 34 138.805 89.534 43.192 1.00 0.00 H new ATOM 517 N ARG A 35 138.290 94.677 44.402 1.00 0.00 N ATOM 518 CA ARG A 35 138.171 95.882 45.289 1.00 0.00 C ATOM 519 C ARG A 35 138.274 95.510 46.788 1.00 0.00 C ATOM 520 O ARG A 35 138.767 96.299 47.571 1.00 0.00 O ATOM 521 CB ARG A 35 136.841 96.608 45.006 1.00 0.00 C ATOM 522 CG ARG A 35 136.621 97.733 46.030 1.00 0.00 C ATOM 523 CD ARG A 35 136.415 99.074 45.306 1.00 0.00 C ATOM 524 NE ARG A 35 137.717 99.536 44.718 1.00 0.00 N ATOM 525 CZ ARG A 35 137.936 100.814 44.508 1.00 0.00 C ATOM 526 NH1 ARG A 35 139.052 101.214 43.945 1.00 0.00 N1+ ATOM 527 NH2 ARG A 35 137.049 101.693 44.874 1.00 0.00 N ATOM 0 H ARG A 35 137.932 94.812 43.457 1.00 0.00 H new ATOM 0 HA ARG A 35 139.005 96.547 45.064 1.00 0.00 H new ATOM 0 HB2 ARG A 35 136.852 97.021 43.998 1.00 0.00 H new ATOM 0 HB3 ARG A 35 136.015 95.899 45.051 1.00 0.00 H new ATOM 0 HG2 ARG A 35 135.752 97.508 46.648 1.00 0.00 H new ATOM 0 HG3 ARG A 35 137.479 97.800 46.698 1.00 0.00 H new ATOM 0 HD2 ARG A 35 135.669 98.963 44.519 1.00 0.00 H new ATOM 0 HD3 ARG A 35 136.035 99.820 46.003 1.00 0.00 H new ATOM 0 HE ARG A 35 138.436 98.853 44.480 1.00 0.00 H new ATOM 0 HH11 ARG A 35 139.757 100.531 43.667 1.00 0.00 H new ATOM 0 HH12 ARG A 35 139.215 102.208 43.785 1.00 0.00 H new ATOM 0 HH21 ARG A 35 136.185 101.389 45.323 1.00 0.00 H new ATOM 0 HH22 ARG A 35 137.218 102.686 44.712 1.00 0.00 H new ATOM 541 N ARG A 36 137.826 94.337 47.207 1.00 0.00 N ATOM 542 CA ARG A 36 137.928 93.971 48.669 1.00 0.00 C ATOM 543 C ARG A 36 136.916 94.798 49.424 1.00 0.00 C ATOM 544 O ARG A 36 137.108 95.206 50.557 1.00 0.00 O ATOM 545 CB ARG A 36 139.325 94.318 49.180 1.00 0.00 C ATOM 546 CG ARG A 36 139.943 93.111 49.885 1.00 0.00 C ATOM 547 CD ARG A 36 140.960 92.456 48.959 1.00 0.00 C ATOM 548 NE ARG A 36 142.311 93.088 49.128 1.00 0.00 N ATOM 549 CZ ARG A 36 143.366 92.409 48.771 1.00 0.00 C ATOM 550 NH1 ARG A 36 144.567 92.928 48.831 1.00 0.00 N1+ ATOM 551 NH2 ARG A 36 143.211 91.192 48.352 1.00 0.00 N ATOM 0 H ARG A 36 137.401 93.628 46.610 1.00 0.00 H new ATOM 0 HA ARG A 36 137.743 92.906 48.808 1.00 0.00 H new ATOM 0 HB2 ARG A 36 139.958 94.626 48.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 139.270 95.161 49.868 1.00 0.00 H new ATOM 0 HG2 ARG A 36 140.425 93.423 50.811 1.00 0.00 H new ATOM 0 HG3 ARG A 36 139.166 92.396 50.156 1.00 0.00 H new ATOM 0 HD2 ARG A 36 141.022 91.389 49.174 1.00 0.00 H new ATOM 0 HD3 ARG A 36 140.633 92.554 47.924 1.00 0.00 H new ATOM 0 HE ARG A 36 142.402 94.028 49.514 1.00 0.00 H new ATOM 0 HH11 ARG A 36 144.693 93.884 49.163 1.00 0.00 H new ATOM 0 HH12 ARG A 36 145.376 92.376 48.546 1.00 0.00 H new ATOM 0 HH21 ARG A 36 142.278 90.783 48.306 1.00 0.00 H new ATOM 0 HH22 ARG A 36 144.022 90.643 48.068 1.00 0.00 H new ATOM 565 N GLY A 37 135.859 95.080 48.772 1.00 0.00 N ATOM 566 CA GLY A 37 134.805 95.948 49.380 1.00 0.00 C ATOM 567 C GLY A 37 133.441 95.487 48.878 1.00 0.00 C ATOM 568 O GLY A 37 132.597 95.042 49.631 1.00 0.00 O ATOM 0 H GLY A 37 135.656 94.752 47.828 1.00 0.00 H new ATOM 0 HA2 GLY A 37 134.847 95.888 50.468 1.00 0.00 H new ATOM 0 HA3 GLY A 37 134.973 96.991 49.112 1.00 0.00 H new ATOM 572 N ILE A 38 133.235 95.588 47.601 1.00 0.00 N ATOM 573 CA ILE A 38 131.946 95.161 46.996 1.00 0.00 C ATOM 574 C ILE A 38 131.801 93.645 47.110 1.00 0.00 C ATOM 575 O ILE A 38 130.732 93.114 47.328 1.00 0.00 O ATOM 576 CB ILE A 38 131.987 95.542 45.517 1.00 0.00 C ATOM 577 CG1 ILE A 38 130.596 95.392 44.899 1.00 0.00 C ATOM 578 CG2 ILE A 38 132.996 94.643 44.775 1.00 0.00 C ATOM 579 CD1 ILE A 38 130.689 95.594 43.382 1.00 0.00 C ATOM 0 H ILE A 38 133.917 95.955 46.937 1.00 0.00 H new ATOM 0 HA ILE A 38 131.109 95.639 47.505 1.00 0.00 H new ATOM 0 HB ILE A 38 132.302 96.581 45.425 1.00 0.00 H new ATOM 0 HG12 ILE A 38 130.192 94.405 45.121 1.00 0.00 H new ATOM 0 HG13 ILE A 38 129.912 96.122 45.333 1.00 0.00 H new ATOM 0 HG21 ILE A 38 133.022 94.918 43.721 1.00 0.00 H new ATOM 0 HG22 ILE A 38 133.987 94.774 45.209 1.00 0.00 H new ATOM 0 HG23 ILE A 38 132.693 93.600 44.870 1.00 0.00 H new ATOM 0 HD11 ILE A 38 129.699 95.487 42.939 1.00 0.00 H new ATOM 0 HD12 ILE A 38 131.076 96.591 43.171 1.00 0.00 H new ATOM 0 HD13 ILE A 38 131.359 94.847 42.956 1.00 0.00 H new ATOM 591 N VAL A 39 132.884 92.956 46.912 1.00 0.00 N ATOM 592 CA VAL A 39 132.870 91.484 46.945 1.00 0.00 C ATOM 593 C VAL A 39 132.652 90.977 48.369 1.00 0.00 C ATOM 594 O VAL A 39 131.687 90.304 48.657 1.00 0.00 O ATOM 595 CB VAL A 39 134.238 91.036 46.440 1.00 0.00 C ATOM 596 CG1 VAL A 39 134.443 89.550 46.714 1.00 0.00 C ATOM 597 CG2 VAL A 39 134.349 91.319 44.939 1.00 0.00 C ATOM 0 H VAL A 39 133.798 93.368 46.724 1.00 0.00 H new ATOM 0 HA VAL A 39 132.061 91.088 46.331 1.00 0.00 H new ATOM 0 HB VAL A 39 135.013 91.593 46.967 1.00 0.00 H new ATOM 0 HG11 VAL A 39 135.423 89.244 46.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 134.382 89.366 47.787 1.00 0.00 H new ATOM 0 HG13 VAL A 39 133.670 88.976 46.203 1.00 0.00 H new ATOM 0 HG21 VAL A 39 135.327 90.998 44.580 1.00 0.00 H new ATOM 0 HG22 VAL A 39 133.570 90.773 44.407 1.00 0.00 H new ATOM 0 HG23 VAL A 39 134.229 92.388 44.760 1.00 0.00 H new ATOM 607 N GLU A 40 133.548 91.286 49.253 1.00 0.00 N ATOM 608 CA GLU A 40 133.401 90.804 50.648 1.00 0.00 C ATOM 609 C GLU A 40 132.057 91.272 51.218 1.00 0.00 C ATOM 610 O GLU A 40 131.546 90.709 52.163 1.00 0.00 O ATOM 611 CB GLU A 40 134.560 91.348 51.498 1.00 0.00 C ATOM 612 CG GLU A 40 135.814 91.508 50.633 1.00 0.00 C ATOM 613 CD GLU A 40 137.035 91.703 51.536 1.00 0.00 C ATOM 614 OE1 GLU A 40 137.664 90.711 51.870 1.00 0.00 O ATOM 615 OE2 GLU A 40 137.317 92.838 51.880 1.00 0.00 O1- ATOM 0 H GLU A 40 134.377 91.852 49.072 1.00 0.00 H new ATOM 0 HA GLU A 40 133.427 89.714 50.665 1.00 0.00 H new ATOM 0 HB2 GLU A 40 134.283 92.308 51.933 1.00 0.00 H new ATOM 0 HB3 GLU A 40 134.764 90.670 52.327 1.00 0.00 H new ATOM 0 HG2 GLU A 40 135.950 90.628 50.004 1.00 0.00 H new ATOM 0 HG3 GLU A 40 135.702 92.362 49.965 1.00 0.00 H new ATOM 622 N GLN A 41 131.487 92.306 50.658 1.00 0.00 N ATOM 623 CA GLN A 41 130.181 92.818 51.176 1.00 0.00 C ATOM 624 C GLN A 41 129.010 92.209 50.392 1.00 0.00 C ATOM 625 O GLN A 41 128.053 91.734 50.968 1.00 0.00 O ATOM 626 CB GLN A 41 130.144 94.342 51.036 1.00 0.00 C ATOM 627 CG GLN A 41 128.861 94.884 51.672 1.00 0.00 C ATOM 628 CD GLN A 41 128.989 96.395 51.872 1.00 0.00 C ATOM 629 OE1 GLN A 41 128.313 96.967 52.704 1.00 0.00 O ATOM 630 NE2 GLN A 41 129.831 97.069 51.139 1.00 0.00 N ATOM 0 H GLN A 41 131.868 92.820 49.864 1.00 0.00 H new ATOM 0 HA GLN A 41 130.086 92.535 52.224 1.00 0.00 H new ATOM 0 HB2 GLN A 41 131.016 94.783 51.519 1.00 0.00 H new ATOM 0 HB3 GLN A 41 130.187 94.622 49.983 1.00 0.00 H new ATOM 0 HG2 GLN A 41 128.005 94.662 51.035 1.00 0.00 H new ATOM 0 HG3 GLN A 41 128.682 94.394 52.629 1.00 0.00 H new ATOM 0 HE21 GLN A 41 130.398 96.588 50.441 1.00 0.00 H new ATOM 0 HE22 GLN A 41 129.923 98.077 51.264 1.00 0.00 H new ATOM 639 N CYS A 42 129.059 92.238 49.086 1.00 0.00 N ATOM 640 CA CYS A 42 127.924 91.681 48.290 1.00 0.00 C ATOM 641 C CYS A 42 128.012 90.151 48.202 1.00 0.00 C ATOM 642 O CYS A 42 127.005 89.477 48.095 1.00 0.00 O ATOM 643 CB CYS A 42 127.931 92.284 46.875 1.00 0.00 C ATOM 644 SG CYS A 42 126.239 92.264 46.218 1.00 0.00 S ATOM 0 H CYS A 42 129.830 92.620 48.538 1.00 0.00 H new ATOM 0 HA CYS A 42 126.994 91.944 48.793 1.00 0.00 H new ATOM 0 HB2 CYS A 42 128.313 93.305 46.902 1.00 0.00 H new ATOM 0 HB3 CYS A 42 128.594 91.713 46.225 1.00 0.00 H new ATOM 649 N CYS A 43 129.190 89.588 48.233 1.00 0.00 N ATOM 650 CA CYS A 43 129.291 88.100 48.137 1.00 0.00 C ATOM 651 C CYS A 43 128.959 87.471 49.494 1.00 0.00 C ATOM 652 O CYS A 43 128.155 86.564 49.583 1.00 0.00 O ATOM 653 CB CYS A 43 130.706 87.696 47.706 1.00 0.00 C ATOM 654 SG CYS A 43 130.793 85.898 47.499 1.00 0.00 S ATOM 0 H CYS A 43 130.077 90.085 48.319 1.00 0.00 H new ATOM 0 HA CYS A 43 128.580 87.742 47.392 1.00 0.00 H new ATOM 0 HB2 CYS A 43 130.967 88.192 46.771 1.00 0.00 H new ATOM 0 HB3 CYS A 43 131.430 88.021 48.453 1.00 0.00 H new ATOM 659 N HIS A 44 129.563 87.942 50.552 1.00 0.00 N ATOM 660 CA HIS A 44 129.266 87.363 51.896 1.00 0.00 C ATOM 661 C HIS A 44 127.969 87.970 52.434 1.00 0.00 C ATOM 662 O HIS A 44 127.307 87.396 53.275 1.00 0.00 O ATOM 663 CB HIS A 44 130.410 87.680 52.860 1.00 0.00 C ATOM 664 CG HIS A 44 130.091 87.116 54.217 1.00 0.00 C ATOM 665 ND1 HIS A 44 129.896 85.757 54.425 1.00 0.00 N ATOM 666 CD2 HIS A 44 129.924 87.711 55.444 1.00 0.00 C ATOM 667 CE1 HIS A 44 129.628 85.582 55.733 1.00 0.00 C ATOM 668 NE2 HIS A 44 129.632 86.738 56.394 1.00 0.00 N ATOM 0 H HIS A 44 130.246 88.699 50.545 1.00 0.00 H new ATOM 0 HA HIS A 44 129.158 86.282 51.807 1.00 0.00 H new ATOM 0 HB2 HIS A 44 131.342 87.255 52.488 1.00 0.00 H new ATOM 0 HB3 HIS A 44 130.555 88.758 52.927 1.00 0.00 H new ATOM 0 HD2 HIS A 44 130.007 88.770 55.640 1.00 0.00 H new ATOM 0 HE1 HIS A 44 129.434 84.623 56.190 1.00 0.00 H new ATOM 0 HE2 HIS A 44 129.457 86.880 57.389 1.00 0.00 H new ATOM 677 N SER A 45 127.602 89.132 51.956 1.00 0.00 N ATOM 678 CA SER A 45 126.345 89.790 52.432 1.00 0.00 C ATOM 679 C SER A 45 125.637 90.436 51.235 1.00 0.00 C ATOM 680 O SER A 45 126.033 90.258 50.101 1.00 0.00 O ATOM 681 CB SER A 45 126.699 90.857 53.477 1.00 0.00 C ATOM 682 OG SER A 45 126.789 90.244 54.757 1.00 0.00 O ATOM 0 H SER A 45 128.121 89.657 51.252 1.00 0.00 H new ATOM 0 HA SER A 45 125.682 89.054 52.887 1.00 0.00 H new ATOM 0 HB2 SER A 45 127.645 91.334 53.221 1.00 0.00 H new ATOM 0 HB3 SER A 45 125.940 91.639 53.487 1.00 0.00 H new ATOM 0 HG SER A 45 126.941 89.282 54.649 1.00 0.00 H new ATOM 688 N ILE A 46 124.589 91.179 51.477 1.00 0.00 N ATOM 689 CA ILE A 46 123.856 91.828 50.347 1.00 0.00 C ATOM 690 C ILE A 46 124.524 93.172 50.032 1.00 0.00 C ATOM 691 O ILE A 46 125.341 93.659 50.788 1.00 0.00 O ATOM 692 CB ILE A 46 122.384 92.079 50.740 1.00 0.00 C ATOM 693 CG1 ILE A 46 121.751 90.812 51.379 1.00 0.00 C ATOM 694 CG2 ILE A 46 121.587 92.496 49.497 1.00 0.00 C ATOM 695 CD1 ILE A 46 121.062 89.930 50.328 1.00 0.00 C ATOM 0 H ILE A 46 124.209 91.365 52.405 1.00 0.00 H new ATOM 0 HA ILE A 46 123.886 91.173 49.476 1.00 0.00 H new ATOM 0 HB ILE A 46 122.354 92.879 51.480 1.00 0.00 H new ATOM 0 HG12 ILE A 46 122.524 90.236 51.887 1.00 0.00 H new ATOM 0 HG13 ILE A 46 121.026 91.110 52.136 1.00 0.00 H new ATOM 0 HG21 ILE A 46 120.548 92.673 49.774 1.00 0.00 H new ATOM 0 HG22 ILE A 46 122.013 93.409 49.081 1.00 0.00 H new ATOM 0 HG23 ILE A 46 121.634 91.702 48.752 1.00 0.00 H new ATOM 0 HD11 ILE A 46 120.632 89.054 50.814 1.00 0.00 H new ATOM 0 HD12 ILE A 46 120.271 90.498 49.838 1.00 0.00 H new ATOM 0 HD13 ILE A 46 121.793 89.611 49.585 1.00 0.00 H new ATOM 707 N CYS A 47 124.177 93.783 48.928 1.00 0.00 N ATOM 708 CA CYS A 47 124.786 95.105 48.577 1.00 0.00 C ATOM 709 C CYS A 47 123.776 95.929 47.774 1.00 0.00 C ATOM 710 O CYS A 47 122.816 95.406 47.244 1.00 0.00 O ATOM 711 CB CYS A 47 126.066 94.888 47.764 1.00 0.00 C ATOM 712 SG CYS A 47 125.667 94.205 46.133 1.00 0.00 S ATOM 0 H CYS A 47 123.500 93.426 48.254 1.00 0.00 H new ATOM 0 HA CYS A 47 125.042 95.645 49.488 1.00 0.00 H new ATOM 0 HB2 CYS A 47 126.597 95.833 47.650 1.00 0.00 H new ATOM 0 HB3 CYS A 47 126.733 94.210 48.297 1.00 0.00 H new ATOM 717 N SER A 48 123.969 97.222 47.705 1.00 0.00 N ATOM 718 CA SER A 48 123.003 98.092 46.965 1.00 0.00 C ATOM 719 C SER A 48 123.405 98.234 45.493 1.00 0.00 C ATOM 720 O SER A 48 124.519 97.959 45.100 1.00 0.00 O ATOM 721 CB SER A 48 122.973 99.481 47.626 1.00 0.00 C ATOM 722 OG SER A 48 121.643 99.986 47.586 1.00 0.00 O ATOM 0 H SER A 48 124.755 97.714 48.130 1.00 0.00 H new ATOM 0 HA SER A 48 122.016 97.632 47.005 1.00 0.00 H new ATOM 0 HB2 SER A 48 123.319 99.414 48.657 1.00 0.00 H new ATOM 0 HB3 SER A 48 123.649 100.160 47.106 1.00 0.00 H new ATOM 0 HG SER A 48 121.616 100.870 48.007 1.00 0.00 H new ATOM 728 N LEU A 49 122.494 98.704 44.692 1.00 0.00 N ATOM 729 CA LEU A 49 122.772 98.932 43.263 1.00 0.00 C ATOM 730 C LEU A 49 123.459 100.289 43.173 1.00 0.00 C ATOM 731 O LEU A 49 124.371 100.512 42.400 1.00 0.00 O ATOM 732 CB LEU A 49 121.416 98.897 42.517 1.00 0.00 C ATOM 733 CG LEU A 49 121.341 99.940 41.398 1.00 0.00 C ATOM 734 CD1 LEU A 49 122.434 99.684 40.347 1.00 0.00 C ATOM 735 CD2 LEU A 49 119.964 99.847 40.748 1.00 0.00 C ATOM 0 H LEU A 49 121.546 98.944 44.982 1.00 0.00 H new ATOM 0 HA LEU A 49 123.419 98.180 42.811 1.00 0.00 H new ATOM 0 HB2 LEU A 49 121.261 97.904 42.096 1.00 0.00 H new ATOM 0 HB3 LEU A 49 120.608 99.071 43.228 1.00 0.00 H new ATOM 0 HG LEU A 49 121.498 100.936 41.813 1.00 0.00 H new ATOM 0 HD11 LEU A 49 122.365 100.435 39.560 1.00 0.00 H new ATOM 0 HD12 LEU A 49 123.414 99.743 40.820 1.00 0.00 H new ATOM 0 HD13 LEU A 49 122.299 98.692 39.915 1.00 0.00 H new ATOM 0 HD21 LEU A 49 119.889 100.583 39.947 1.00 0.00 H new ATOM 0 HD22 LEU A 49 119.822 98.847 40.337 1.00 0.00 H new ATOM 0 HD23 LEU A 49 119.195 100.045 41.495 1.00 0.00 H new ATOM 747 N GLU A 50 123.021 101.183 43.997 1.00 0.00 N ATOM 748 CA GLU A 50 123.607 102.539 44.036 1.00 0.00 C ATOM 749 C GLU A 50 125.082 102.404 44.324 1.00 0.00 C ATOM 750 O GLU A 50 125.898 103.234 43.977 1.00 0.00 O ATOM 751 CB GLU A 50 122.926 103.285 45.167 1.00 0.00 C ATOM 752 CG GLU A 50 121.428 103.355 44.882 1.00 0.00 C ATOM 753 CD GLU A 50 120.778 104.403 45.787 1.00 0.00 C ATOM 754 OE1 GLU A 50 120.050 105.233 45.270 1.00 0.00 O ATOM 755 OE2 GLU A 50 121.020 104.357 46.982 1.00 0.00 O1- ATOM 0 H GLU A 50 122.263 101.028 44.662 1.00 0.00 H new ATOM 0 HA GLU A 50 123.471 103.072 43.095 1.00 0.00 H new ATOM 0 HB2 GLU A 50 123.106 102.778 46.115 1.00 0.00 H new ATOM 0 HB3 GLU A 50 123.340 104.289 45.259 1.00 0.00 H new ATOM 0 HG2 GLU A 50 121.259 103.609 43.836 1.00 0.00 H new ATOM 0 HG3 GLU A 50 120.970 102.380 45.051 1.00 0.00 H new ATOM 762 N GLN A 51 125.400 101.344 44.968 1.00 0.00 N ATOM 763 CA GLN A 51 126.809 101.061 45.333 1.00 0.00 C ATOM 764 C GLN A 51 127.575 100.565 44.098 1.00 0.00 C ATOM 765 O GLN A 51 128.779 100.666 44.034 1.00 0.00 O ATOM 766 CB GLN A 51 126.825 99.997 46.436 1.00 0.00 C ATOM 767 CG GLN A 51 128.246 99.463 46.633 1.00 0.00 C ATOM 768 CD GLN A 51 128.322 98.688 47.946 1.00 0.00 C ATOM 769 OE1 GLN A 51 129.385 98.266 48.357 1.00 0.00 O ATOM 770 NE2 GLN A 51 127.232 98.480 48.622 1.00 0.00 N ATOM 0 H GLN A 51 124.732 100.635 45.270 1.00 0.00 H new ATOM 0 HA GLN A 51 127.293 101.968 45.696 1.00 0.00 H new ATOM 0 HB2 GLN A 51 126.456 100.424 47.369 1.00 0.00 H new ATOM 0 HB3 GLN A 51 126.154 99.179 46.173 1.00 0.00 H new ATOM 0 HG2 GLN A 51 128.521 98.816 45.800 1.00 0.00 H new ATOM 0 HG3 GLN A 51 128.958 100.288 46.644 1.00 0.00 H new ATOM 0 HE21 GLN A 51 126.341 98.835 48.275 1.00 0.00 H new ATOM 0 HE22 GLN A 51 127.267 97.962 49.500 1.00 0.00 H new ATOM 779 N LEU A 52 126.891 100.040 43.111 1.00 0.00 N ATOM 780 CA LEU A 52 127.590 99.563 41.887 1.00 0.00 C ATOM 781 C LEU A 52 127.772 100.754 40.945 1.00 0.00 C ATOM 782 O LEU A 52 128.684 100.816 40.153 1.00 0.00 O ATOM 783 CB LEU A 52 126.690 98.551 41.165 1.00 0.00 C ATOM 784 CG LEU A 52 126.212 97.453 42.089 1.00 0.00 C ATOM 785 CD1 LEU A 52 125.218 96.592 41.312 1.00 0.00 C ATOM 786 CD2 LEU A 52 127.375 96.591 42.517 1.00 0.00 C ATOM 0 H LEU A 52 125.878 99.923 43.104 1.00 0.00 H new ATOM 0 HA LEU A 52 128.546 99.114 42.156 1.00 0.00 H new ATOM 0 HB2 LEU A 52 125.829 99.069 40.743 1.00 0.00 H new ATOM 0 HB3 LEU A 52 127.237 98.110 40.332 1.00 0.00 H new ATOM 0 HG LEU A 52 125.750 97.887 42.976 1.00 0.00 H new ATOM 0 HD11 LEU A 52 124.854 95.789 41.953 1.00 0.00 H new ATOM 0 HD12 LEU A 52 124.378 97.207 40.989 1.00 0.00 H new ATOM 0 HD13 LEU A 52 125.711 96.164 40.439 1.00 0.00 H new ATOM 0 HD21 LEU A 52 127.019 95.804 43.182 1.00 0.00 H new ATOM 0 HD22 LEU A 52 127.838 96.142 41.638 1.00 0.00 H new ATOM 0 HD23 LEU A 52 128.109 97.204 43.040 1.00 0.00 H new ATOM 798 N GLU A 53 126.856 101.674 41.001 1.00 0.00 N ATOM 799 CA GLU A 53 126.898 102.838 40.097 1.00 0.00 C ATOM 800 C GLU A 53 128.136 103.698 40.365 1.00 0.00 C ATOM 801 O GLU A 53 128.553 104.465 39.522 1.00 0.00 O ATOM 802 CB GLU A 53 125.601 103.632 40.318 1.00 0.00 C ATOM 803 CG GLU A 53 124.562 103.251 39.254 1.00 0.00 C ATOM 804 CD GLU A 53 123.280 104.053 39.477 1.00 0.00 C ATOM 805 OE1 GLU A 53 123.334 105.025 40.212 1.00 0.00 O ATOM 806 OE2 GLU A 53 122.266 103.682 38.910 1.00 0.00 O1- ATOM 0 H GLU A 53 126.068 101.663 41.649 1.00 0.00 H new ATOM 0 HA GLU A 53 126.969 102.516 39.058 1.00 0.00 H new ATOM 0 HB2 GLU A 53 125.206 103.428 41.313 1.00 0.00 H new ATOM 0 HB3 GLU A 53 125.807 104.701 40.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 124.958 103.449 38.258 1.00 0.00 H new ATOM 0 HG3 GLU A 53 124.348 102.183 39.306 1.00 0.00 H new ATOM 813 N ASN A 54 128.742 103.567 41.507 1.00 0.00 N ATOM 814 CA ASN A 54 129.966 104.373 41.781 1.00 0.00 C ATOM 815 C ASN A 54 131.170 103.598 41.254 1.00 0.00 C ATOM 816 O ASN A 54 132.281 104.089 41.211 1.00 0.00 O ATOM 817 CB ASN A 54 130.103 104.633 43.283 1.00 0.00 C ATOM 818 CG ASN A 54 130.462 103.354 44.026 1.00 0.00 C ATOM 819 OD1 ASN A 54 131.563 102.851 43.903 1.00 0.00 O ATOM 820 ND2 ASN A 54 129.576 102.813 44.811 1.00 0.00 N ATOM 0 H ASN A 54 128.449 102.943 42.259 1.00 0.00 H new ATOM 0 HA ASN A 54 129.903 105.341 41.283 1.00 0.00 H new ATOM 0 HB2 ASN A 54 130.871 105.387 43.457 1.00 0.00 H new ATOM 0 HB3 ASN A 54 129.168 105.035 43.673 1.00 0.00 H new ATOM 0 HD21 ASN A 54 129.803 101.963 45.327 1.00 0.00 H new ATOM 0 HD22 ASN A 54 128.655 103.239 44.910 1.00 0.00 H new ATOM 827 N TYR A 55 130.942 102.376 40.855 1.00 0.00 N ATOM 828 CA TYR A 55 132.053 101.529 40.328 1.00 0.00 C ATOM 829 C TYR A 55 132.243 101.831 38.841 1.00 0.00 C ATOM 830 O TYR A 55 133.324 101.707 38.300 1.00 0.00 O ATOM 831 CB TYR A 55 131.729 100.038 40.508 1.00 0.00 C ATOM 832 CG TYR A 55 131.901 99.679 41.949 1.00 0.00 C ATOM 833 CD1 TYR A 55 131.231 100.396 42.925 1.00 0.00 C ATOM 834 CD2 TYR A 55 132.764 98.665 42.303 1.00 0.00 C ATOM 835 CE1 TYR A 55 131.430 100.103 44.263 1.00 0.00 C ATOM 836 CE2 TYR A 55 132.960 98.359 43.641 1.00 0.00 C ATOM 837 CZ TYR A 55 132.296 99.081 44.630 1.00 0.00 C ATOM 838 OH TYR A 55 132.501 98.796 45.966 1.00 0.00 O ATOM 0 H TYR A 55 130.028 101.924 40.871 1.00 0.00 H new ATOM 0 HA TYR A 55 132.965 101.755 40.880 1.00 0.00 H new ATOM 0 HB2 TYR A 55 130.708 99.832 40.187 1.00 0.00 H new ATOM 0 HB3 TYR A 55 132.387 99.431 39.886 1.00 0.00 H new ATOM 0 HD1 TYR A 55 130.551 101.186 42.642 1.00 0.00 H new ATOM 0 HD2 TYR A 55 133.287 98.109 41.539 1.00 0.00 H new ATOM 0 HE1 TYR A 55 130.911 100.670 45.022 1.00 0.00 H new ATOM 0 HE2 TYR A 55 133.630 97.558 43.917 1.00 0.00 H new ATOM 0 HH TYR A 55 131.692 99.013 46.475 1.00 0.00 H new ATOM 848 N CYS A 56 131.190 102.228 38.177 1.00 0.00 N ATOM 849 CA CYS A 56 131.286 102.543 36.725 1.00 0.00 C ATOM 850 C CYS A 56 132.124 103.800 36.527 1.00 0.00 C ATOM 851 O CYS A 56 131.738 104.889 36.900 1.00 0.00 O ATOM 852 CB CYS A 56 129.898 102.776 36.152 1.00 0.00 C ATOM 853 SG CYS A 56 129.984 102.822 34.345 1.00 0.00 S ATOM 0 H CYS A 56 130.262 102.348 38.583 1.00 0.00 H new ATOM 0 HA CYS A 56 131.755 101.703 36.212 1.00 0.00 H new ATOM 0 HB2 CYS A 56 129.223 101.982 36.473 1.00 0.00 H new ATOM 0 HB3 CYS A 56 129.491 103.714 36.530 1.00 0.00 H new ATOM 858 N ASN A 57 133.266 103.645 35.947 1.00 0.00 N ATOM 859 CA ASN A 57 134.157 104.816 35.711 1.00 0.00 C ATOM 860 C ASN A 57 134.344 105.585 37.019 1.00 0.00 C ATOM 861 O ASN A 57 134.646 104.953 38.018 1.00 0.00 O ATOM 862 CB ASN A 57 133.528 105.738 34.664 1.00 0.00 C ATOM 863 CG ASN A 57 133.062 104.910 33.463 1.00 0.00 C ATOM 864 OD1 ASN A 57 132.626 103.787 33.616 1.00 0.00 O ATOM 865 ND2 ASN A 57 133.137 105.422 32.266 1.00 0.00 N ATOM 866 OXT ASN A 57 134.180 106.794 37.000 1.00 0.00 O ATOM 0 H ASN A 57 133.633 102.751 35.619 1.00 0.00 H new ATOM 0 HA ASN A 57 135.125 104.467 35.351 1.00 0.00 H new ATOM 0 HB2 ASN A 57 132.684 106.275 35.098 1.00 0.00 H new ATOM 0 HB3 ASN A 57 134.252 106.487 34.343 1.00 0.00 H new ATOM 0 HD21 ASN A 57 132.830 104.879 31.459 1.00 0.00 H new ATOM 0 HD22 ASN A 57 133.503 106.365 32.137 1.00 0.00 H new TER 873 ASN A 57