Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k5k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG.A THR 189.A O.A no hydrogen 3.167 N/A SER 3.A OG.A THR 189.A O.B no hydrogen 3.202 N/A VAL 10.A N THR 48.A O no hydrogen 2.776 N/A SER 12.A N.A ARG 50.A O.A no hydrogen 3.129 N/A SER 12.A N.A ARG 50.A O.B no hydrogen 3.132 N/A SER 12.A N.B ARG 50.A O.A no hydrogen 3.144 N/A SER 12.A N.B ARG 50.A O.B no hydrogen 3.147 N/A SER 12.A OG.A ASP 55.A OD2 no hydrogen 2.496 N/A SER 12.A OG.B ASP 55.A OD2 no hydrogen 3.171 N/A GLN 13.A N LEU 16.A O no hydrogen 2.801 N/A LEU 16.A N GLN 13.A O no hydrogen 3.230 N/A LEU 17.A N.A THR 56.A O no hydrogen 2.799 N/A LEU 17.A N.B THR 56.A O no hydrogen 2.796 N/A LEU 19.A N ARG 58.A O no hydrogen 2.903 N/A LEU 21.A N.A THR 60.A O no hydrogen 3.041 N/A LEU 21.A N.B THR 60.A O no hydrogen 2.837 N/A SER 22.A OG.A GLU 62.A OE1 no hydrogen 2.455 N/A SER 22.A OG.B THR 24.A OG1.B no hydrogen 2.469 N/A SER 22.A OG.B GLU 62.A OE1 no hydrogen 3.488 N/A ALA 23.A N GLU 62.A O no hydrogen 2.855 N/A THR 24.A N.A THR 39.A O no hydrogen 2.985 N/A THR 24.A N.B THR 39.A O no hydrogen 2.969 N/A THR 26.A N.A LEU 37.A O.A no hydrogen 2.639 N/A THR 26.A N.A LEU 37.A O.B no hydrogen 2.648 N/A THR 26.A N.A LEU 37.A O.C no hydrogen 2.645 N/A THR 26.A N.B LEU 37.A O.A no hydrogen 2.666 N/A THR 26.A N.B LEU 37.A O.B no hydrogen 2.674 N/A THR 26.A N.B LEU 37.A O.C no hydrogen 2.673 N/A THR 26.A N.C LEU 37.A O.A no hydrogen 2.637 N/A THR 26.A N.C LEU 37.A O.B no hydrogen 2.645 N/A THR 26.A N.C LEU 37.A O.C no hydrogen 2.644 N/A THR 26.A OG1.A THR 24.A O.A no hydrogen 2.964 N/A THR 26.A OG1.A THR 24.A O.B no hydrogen 2.936 N/A THR 26.A OG1.A THR 39.A OG1 no hydrogen 2.700 N/A THR 26.A OG1.B THR 39.A OG1 no hydrogen 3.386 N/A THR 26.A OG1.C THR 24.A O.A no hydrogen 3.414 N/A THR 26.A OG1.C THR 24.A O.B no hydrogen 3.388 N/A THR 26.A OG1.C THR 39.A OG1 no hydrogen 3.026 N/A LEU 28.A N.A ALA 35.A O no hydrogen 2.797 N/A LEU 28.A N.B ALA 35.A O no hydrogen 2.833 N/A ILE 30.A N.A GLN 33.A O.A no hydrogen 2.736 N/A ILE 30.A N.A GLN 33.A O.B no hydrogen 2.687 N/A ILE 30.A N.A GLN 33.A O.C no hydrogen 2.694 N/A ILE 30.A N.B GLN 33.A O.A no hydrogen 2.738 N/A ILE 30.A N.B GLN 33.A O.B no hydrogen 2.692 N/A ILE 30.A N.B GLN 33.A O.C no hydrogen 2.698 N/A GLN 33.A N.A ILE 30.A O.A no hydrogen 3.011 N/A GLN 33.A N.A ILE 30.A O.B no hydrogen 3.090 N/A GLN 33.A N.B ILE 30.A O.A no hydrogen 3.009 N/A GLN 33.A N.B ILE 30.A O.B no hydrogen 3.088 N/A GLN 33.A N.C ILE 30.A O.A no hydrogen 3.007 N/A GLN 33.A N.C ILE 30.A O.B no hydrogen 3.086 N/A ALA 35.A N LEU 28.A O.A no hydrogen 2.985 N/A ALA 35.A N LEU 28.A O.B no hydrogen 2.960 N/A THR 36.A N GLY 161.A O no hydrogen 2.792 N/A LEU 37.A N.A THR 26.A O.A no hydrogen 2.954 N/A LEU 37.A N.A THR 26.A O.B no hydrogen 2.930 N/A LEU 37.A N.A THR 26.A O.C no hydrogen 3.086 N/A LEU 37.A N.B THR 26.A O.A no hydrogen 2.953 N/A LEU 37.A N.B THR 26.A O.B no hydrogen 2.929 N/A LEU 37.A N.B THR 26.A O.C no hydrogen 3.086 N/A LEU 37.A N.C THR 26.A O.A no hydrogen 2.963 N/A LEU 37.A N.C THR 26.A O.B no hydrogen 2.940 N/A LEU 37.A N.C THR 26.A O.C no hydrogen 3.094 N/A LEU 38.A N ALA 125.A O no hydrogen 3.015 N/A THR 39.A N THR 24.A O.A no hydrogen 3.020 N/A THR 39.A N THR 24.A O.B no hydrogen 2.996 N/A THR 39.A OG1 THR 26.A OG1.A no hydrogen 2.700 N/A THR 39.A OG1 THR 26.A OG1.B no hydrogen 3.386 N/A THR 39.A OG1 THR 26.A OG1.C no hydrogen 3.026 N/A GLY 41.A N SER 22.A O.A no hydrogen 3.334 N/A GLY 41.A N SER 22.A O.B no hydrogen 3.068 N/A SER 43.A N TYR 40.A O no hydrogen 3.468 N/A SER 43.A OG PRO 45.A O no hydrogen 2.726 N/A GLY 46.A N LEU 128.A O.A no hydrogen 2.711 N/A GLY 46.A N LEU 128.A O.B no hydrogen 2.733 N/A THR 48.A N LYS 8.A O.A no hydrogen 2.831 N/A THR 48.A N LYS 8.A O.B no hydrogen 2.828 N/A LEU 49.A N ALA 130.A O no hydrogen 2.909 N/A ARG 50.A N.A VAL 10.A O no hydrogen 2.899 N/A ARG 50.A N.B VAL 10.A O no hydrogen 2.902 N/A ARG 50.A NH1.A GLU 134.A OE1.A no hydrogen 3.010 N/A ARG 50.A NH1.A GLU 134.A OE2.B no hydrogen 3.176 N/A ARG 50.A NH1.B GLU 134.A OE1.A no hydrogen 3.504 N/A ARG 50.A NH2.A GLU 148.A OE2 no hydrogen 3.064 N/A ARG 50.A NH2.B GLU 148.A OE2 no hydrogen 2.490 N/A VAL 51.A N VAL 132.A O no hydrogen 2.879 N/A ARG 52.A N.A ASP 55.A OD2 no hydrogen 2.846 N/A ARG 52.A N.B ASP 55.A OD2 no hydrogen 2.854 N/A ARG 52.A NH2.A GLU 134.A OE2.A no hydrogen 2.784 N/A ARG 54.A N.A VAL 101.A O no hydrogen 2.804 N/A ARG 54.A N.B VAL 101.A O no hydrogen 2.803 N/A ASP 55.A N ARG 52.A O.A no hydrogen 3.140 N/A ASP 55.A N ARG 52.A O.B no hydrogen 3.027 N/A THR 56.A N GLY 15.A O no hydrogen 2.856 N/A VAL 57.A N PHE 99.A O no hydrogen 2.816 N/A ARG 58.A N LEU 17.A O.A no hydrogen 2.723 N/A ARG 58.A N LEU 17.A O.B no hydrogen 2.708 N/A ARG 58.A NE GLU 98.A OE2 no hydrogen 2.982 N/A ARG 58.A NH2 GLU 98.A OE1 no hydrogen 3.017 N/A LEU 59.A N.A TYR 97.A O no hydrogen 2.838 N/A LEU 59.A N.B TYR 97.A O no hydrogen 2.839 N/A THR 60.A N LEU 19.A O no hydrogen 2.976 N/A THR 60.A OG1 THR 96.A OG1 no hydrogen 2.604 N/A LEU 61.A N TRP 95.A O no hydrogen 2.763 N/A GLU 62.A N LEU 21.A O.A no hydrogen 2.780 N/A GLU 62.A N LEU 21.A O.B no hydrogen 2.911 N/A ASN 63.A N GLU 93.A O no hydrogen 2.823 N/A ASN 63.A ND2 GLU 67.A O no hydrogen 3.000 N/A ASN 63.A ND2 ILE 89.A O no hydrogen 2.830 N/A ARG 64.A N ALA 23.A O no hydrogen 2.838 N/A ARG 64.A NH1 GLU 62.A OE2 no hydrogen 2.702 N/A LEU 65.A N ASN 63.A OD1 no hydrogen 3.001 N/A THR 69.A N ILE 89.A O no hydrogen 3.173 N/A THR 69.A OG1 ASN 70.A O no hydrogen 3.523 N/A THR 69.A OG1 GLN 122.A OE1 no hydrogen 2.793 N/A ASN 70.A ND2 PRO 85.A O no hydrogen 3.538 N/A ASN 70.A ND2 LEU 87.A O no hydrogen 2.710 N/A ASN 70.A ND2 HIS 114.A O no hydrogen 3.135 N/A LEU 71.A N.A TYR 97.A OH no hydrogen 3.115 N/A LEU 71.A N.B TYR 97.A OH no hydrogen 3.119 N/A HIS 72.A N.A HIS 112.A O no hydrogen 2.826 N/A HIS 72.A N.B HIS 112.A O no hydrogen 2.830 N/A HIS 72.A ND1.A ASP 83.A OD1 no hydrogen 2.627 N/A HIS 72.A ND1.B ASP 83.A OD1 no hydrogen 2.863 N/A HIS 72.A NE2.A HIS 373.A NE2 no hydrogen 3.053 N/A HIS 72.A NE2.B HIS 373.A NE2 no hydrogen 2.968 N/A TRP 73.A N ASP 83.A OD1 no hydrogen 2.862 N/A HIS 74.A N TRP 110.A O no hydrogen 2.745 N/A HIS 74.A NE2 ASP 396.A OD1 no hydrogen 2.743 N/A LEU 76.A N.A TRP 73.A O no hydrogen 3.210 N/A LEU 76.A N.B TRP 73.A O no hydrogen 3.209 N/A ILE 78.A N.A LEU 76.A O.A no hydrogen 2.824 N/A ILE 78.A N.A LEU 76.A O.B no hydrogen 2.846 N/A ILE 78.A N.B LEU 76.A O.A no hydrogen 2.822 N/A ILE 78.A N.B LEU 76.A O.B no hydrogen 2.845 N/A LYS 81.A N SER 79.A OG no hydrogen 2.963 N/A VAL 82.A N SER 79.A O no hydrogen 2.924 N/A ASP 83.A N SER 79.A O no hydrogen 2.926 N/A PHE 86.A N ASP 84.A OD1 no hydrogen 2.908 N/A LEU 87.A N ASP 84.A O no hydrogen 3.453 N/A ILE 89.A N THR 69.A O no hydrogen 2.828 N/A GLY 92.A N ASN 63.A O no hydrogen 2.707 N/A GLU 93.A N PRO 90.A O.A no hydrogen 3.056 N/A GLU 93.A N PRO 90.A O.B no hydrogen 3.066 N/A TRP 95.A N LEU 61.A O no hydrogen 3.046 N/A THR 96.A OG1 THR 60.A OG1 no hydrogen 2.604 N/A TYR 97.A N LEU 59.A O.A no hydrogen 2.786 N/A TYR 97.A N LEU 59.A O.B no hydrogen 2.784 N/A PHE 99.A N VAL 57.A O no hydrogen 3.069 N/A VAL 101.A N ASP 55.A O no hydrogen 2.834 N/A GLY 107.A N VAL 133.A O no hydrogen 3.226 N/A THR 108.A OG1 GLU 247.A OE2 no hydrogen 2.920 N/A PHE 109.A N LEU 131.A O.A no hydrogen 2.757 N/A PHE 109.A N LEU 131.A O.B no hydrogen 2.739 N/A TRP 110.A N HIS 74.A O no hydrogen 3.451 N/A TYR 111.A N GLY 129.A O no hydrogen 2.815 N/A TYR 111.A OH PRO 47.A O no hydrogen 2.641 N/A HIS 112.A N HIS 72.A O.A no hydrogen 3.310 N/A HIS 112.A ND1 PRO 113.A O no hydrogen 2.596 N/A HIS 114.A N ASN 70.A OD1 no hydrogen 2.750 N/A HIS 114.A NE2 HIS 421.A NE2 no hydrogen 3.276 N/A HIS 116.A ND1 GLU 428.A OE2.B no hydrogen 2.880 N/A GLY 117.A N ASP 429.A OD1 no hydrogen 2.830 N/A ARG 118.A N LEU 115.A O no hydrogen 2.915 N/A VAL 119.A N ASP 429.A OD1 no hydrogen 3.187 N/A ALA 120.A N ASP 429.A OD2 no hydrogen 2.741 N/A GLN 122.A N ARG 118.A O no hydrogen 3.207 N/A GLN 122.A NE2 PRO 68.A O no hydrogen 2.944 N/A LEU 123.A N.A VAL 119.A O no hydrogen 2.819 N/A LEU 123.A N.B VAL 119.A O no hydrogen 2.813 N/A PHE 124.A N ALA 120.A O no hydrogen 2.978 N/A ALA 125.A N PRO 121.A O no hydrogen 3.025 N/A GLY 126.A N LEU 123.A O.A no hydrogen 3.234 N/A GLY 126.A N LEU 123.A O.B no hydrogen 3.076 N/A LEU 127.A N GLN 122.A O no hydrogen 3.387 N/A LEU 128.A N.A GLY 126.A O no hydrogen 3.097 N/A GLY 129.A N TYR 111.A O no hydrogen 3.067 N/A LEU 131.A N.A PHE 109.A O no hydrogen 2.898 N/A LEU 131.A N.B PHE 109.A O no hydrogen 2.895 N/A VAL 132.A N LEU 49.A O no hydrogen 2.716 N/A VAL 133.A N GLY 107.A O no hydrogen 2.886 N/A GLU 134.A N.A VAL 51.A O no hydrogen 2.783 N/A GLU 134.A N.B VAL 51.A O no hydrogen 2.780 N/A SER 135.A N.A ASP 138.A OD2 no hydrogen 2.980 N/A SER 135.A N.B ASP 138.A OD2 no hydrogen 2.974 N/A LEU 137.A N SER 135.A OG.A no hydrogen 3.131 N/A LEU 137.A N SER 135.A OG.B no hydrogen 2.947 N/A ASP 138.A N SER 135.A O.A no hydrogen 2.875 N/A ASP 138.A N SER 135.A O.B no hydrogen 2.776 N/A ALA 139.A N SER 136.A O no hydrogen 3.064 N/A ILE 140.A N LEU 137.A O no hydrogen 3.168 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.642 N/A LEU 143.A N ILE 140.A O no hydrogen 3.006 N/A ARG 144.A N ILE 140.A O no hydrogen 2.780 N/A GLU 145.A N PRO 141.A O no hydrogen 2.972 N/A ALA 146.A N LEU 143.A O no hydrogen 3.029 N/A GLU 147.A N THR 196.A O no hydrogen 2.962 N/A HIS 149.A N ARG 198.A O no hydrogen 2.947 N/A HIS 149.A ND1 GLU 6.A OE2 no hydrogen 2.565 N/A HIS 149.A NE2 GLU 147.A OE2 no hydrogen 2.622 N/A LEU 150.A N GLU 6.A OE1 no hydrogen 2.836 N/A LEU 151.A N.A ARG 200.A O.A no hydrogen 2.744 N/A LEU 151.A N.A ARG 200.A O.B no hydrogen 2.739 N/A LEU 151.A N.B ARG 200.A O.A no hydrogen 2.752 N/A LEU 151.A N.B ARG 200.A O.B no hydrogen 2.746 N/A VAL 152.A N ASN 183.A OD1 no hydrogen 2.706 N/A LEU 153.A N LEU 202.A O no hydrogen 2.675 N/A LYS 154.A N.A LEU 181.A O no hydrogen 3.317 N/A LYS 154.A N.B LEU 181.A O no hydrogen 3.317 N/A LYS 154.A NZ.A PHE 124.A O no hydrogen 2.984 N/A LYS 154.A NZ.A ASP 155.A O no hydrogen 2.565 N/A LYS 154.A NZ.B ALA 204.A O no hydrogen 2.780 N/A LYS 154.A NZ.B ASN 206.A OD1 no hydrogen 3.313 N/A LEU 156.A N LEU 179.A O no hydrogen 2.855 N/A GLN 159.A N ARG 162.A O no hydrogen 2.787 N/A ARG 162.A N GLN 159.A O no hydrogen 3.243 N/A ALA 164.A N ALA 157.A O no hydrogen 2.821 N/A HIS 166.A NE2 GLU 426.A OE2 no hydrogen 2.463 N/A THR 167.A N ASP 170.A OD2 no hydrogen 2.827 N/A ASP 170.A N THR 167.A OG1 no hydrogen 3.100 N/A TRP 171.A N THR 167.A O no hydrogen 3.171 N/A MET 172.A N PRO 168.A O no hydrogen 3.290 N/A MET 172.A N MET 169.A O no hydrogen 3.111 N/A ASN 173.A N MET 169.A O no hydrogen 2.926 N/A ASN 173.A ND2 MET 270.A O.A no hydrogen 2.804 N/A ASN 173.A ND2 MET 270.A O.B no hydrogen 2.852 N/A GLY 174.A N ASP 170.A O no hydrogen 2.707 N/A LYS 175.A N GLU 426.A OE2 no hydrogen 3.076 N/A LYS 175.A NZ PRO 165.A O.A no hydrogen 3.144 N/A LYS 175.A NZ PRO 165.A O.B no hydrogen 3.156 N/A LYS 175.A NZ ASP 170.A OD2 no hydrogen 2.628 N/A GLY 177.A N ASP 155.A OD2 no hydrogen 2.740 N/A LEU 179.A N LEU 156.A O no hydrogen 2.840 N/A LEU 181.A N LYS 154.A O.A no hydrogen 3.306 N/A LEU 181.A N LYS 154.A O.B no hydrogen 3.280 N/A VAL 182.A N ALA 185.A O no hydrogen 2.944 N/A ASN 183.A N VAL 152.A O no hydrogen 2.887 N/A ASN 183.A ND2 PRO 5.A O no hydrogen 2.835 N/A ASN 183.A ND2 LEU 150.A O no hydrogen 2.893 N/A ALA 185.A N VAL 182.A O no hydrogen 2.918 N/A THR 189.A OG1.B SER 3.A OG.A no hydrogen 3.281 N/A LEU 190.A N.A TYR 294.A O no hydrogen 2.686 N/A LEU 190.A N.B TYR 294.A O no hydrogen 2.752 N/A ALA 192.A N ILE 296.A O.A no hydrogen 2.880 N/A ALA 192.A N ILE 296.A O.B no hydrogen 2.899 N/A GLN 193.A N GLU 147.A OE1 no hydrogen 2.783 N/A LYS 194.A N.A GLU 147.A OE1 no hydrogen 3.160 N/A LYS 194.A N.B GLU 147.A OE1 no hydrogen 3.159 N/A LYS 194.A NZ.A GLU 145.A O no hydrogen 3.274 N/A LYS 194.A NZ.B GLU 145.A O no hydrogen 3.334 N/A LEU 197.A N VAL 250.A O no hydrogen 2.787 N/A ARG 198.A N GLU 147.A O no hydrogen 2.773 N/A ARG 198.A NE GLU 247.A OE1 no hydrogen 3.129 N/A ARG 198.A NH1 ASP 138.A OD1 no hydrogen 2.747 N/A ARG 198.A NH2 ASP 138.A OD1 no hydrogen 2.810 N/A ARG 198.A NH2 GLU 247.A OE1 no hydrogen 2.877 N/A LEU 199.A N VAL 248.A O no hydrogen 2.830 N/A ARG 200.A N.A HIS 149.A O no hydrogen 2.847 N/A ARG 200.A N.B HIS 149.A O no hydrogen 2.844 N/A ARG 200.A NE.A GLU 148.A OE2 no hydrogen 2.815 N/A ARG 200.A NE.B GLU 148.A OE2 no hydrogen 2.824 N/A ARG 200.A NH1.A GLU 148.A OE2 no hydrogen 3.310 N/A ARG 200.A NH1.B GLU 148.A OE2 no hydrogen 3.530 N/A LEU 201.A N ALA 246.A O no hydrogen 2.637 N/A LEU 202.A N LEU 151.A O.A no hydrogen 2.955 N/A LEU 202.A N LEU 151.A O.B no hydrogen 3.004 N/A ASN 203.A N GLU 244.A O no hydrogen 3.057 N/A ASN 203.A ND2 ARG 208.A O no hydrogen 2.950 N/A ASN 203.A ND2 LEU 240.A O.A no hydrogen 2.913 N/A ASN 203.A ND2 LEU 240.A O.B no hydrogen 2.893 N/A ALA 204.A N LEU 153.A O no hydrogen 2.913 N/A SER 205.A N ASN 203.A OD1 no hydrogen 2.894 N/A SER 205.A OG LEU 153.A O no hydrogen 3.284 N/A SER 205.A OG ASP 155.A OD1 no hydrogen 3.259 N/A SER 205.A OG ASN 203.A OD1 no hydrogen 3.278 N/A SER 205.A OG TYR 210.A OH no hydrogen 2.663 N/A ASN 206.A ND2 ALA 120.A O no hydrogen 2.802 N/A ASN 206.A ND2 GLU 426.A OE2 no hydrogen 2.994 N/A ARG 208.A NE ASP 155.A OD2 no hydrogen 2.894 N/A ARG 208.A NH2 GLY 177.A O no hydrogen 2.929 N/A TYR 209.A OH ASN 399.A OD1 no hydrogen 2.647 N/A TYR 210.A N LEU 240.A O.A no hydrogen 3.143 N/A TYR 210.A N LEU 240.A O.B no hydrogen 3.154 N/A TYR 210.A OH SER 205.A OG no hydrogen 2.663 N/A ARG 211.A NE GLU 237.A OE1 no hydrogen 3.176 N/A ARG 211.A NE GLU 237.A OE2 no hydrogen 2.961 N/A ARG 211.A NH1 PRO 264.A O no hydrogen 2.895 N/A ARG 211.A NH2 GLU 237.A OE1 no hydrogen 2.978 N/A LEU 212.A N LEU 238.A O no hydrogen 2.849 N/A ALA 213.A N GLN 261.A O no hydrogen 3.076 N/A GLN 215.A N LEU 259.A O.A no hydrogen 2.852 N/A GLN 215.A N LEU 259.A O.B no hydrogen 3.030 N/A HIS 217.A N LEU 214.A O no hydrogen 3.066 N/A HIS 217.A ND1 GLN 215.A O no hydrogen 2.725 N/A LEU 219.A N VAL 235.A O no hydrogen 2.875 N/A TYR 220.A N LEU 249.A O no hydrogen 3.002 N/A TYR 220.A OH GLU 234.A OE1.A no hydrogen 2.898 N/A TYR 220.A OH GLU 234.A OE1.B no hydrogen 2.762 N/A LEU 221.A N LEU 233.A O no hydrogen 2.868 N/A ILE 222.A N GLU 247.A O no hydrogen 2.877 N/A ALA 223.A N GLU 247.A O no hydrogen 3.293 N/A ALA 224.A N GLY 227.A O no hydrogen 2.946 N/A GLY 226.A N TRP 394.A O no hydrogen 2.906 N/A LEU 229.A N ILE 222.A O no hydrogen 2.871 N/A LEU 233.A N LEU 221.A O no hydrogen 2.975 N/A VAL 235.A N LEU 219.A O no hydrogen 2.855 N/A LEU 238.A N LEU 212.A O no hydrogen 2.950 N/A LEU 240.A N.A TYR 210.A O no hydrogen 2.917 N/A LEU 240.A N.B TYR 210.A O no hydrogen 2.919 N/A ALA 241.A N GLU 244.A OE1 no hydrogen 2.767 N/A GLY 243.A N ASN 203.A O no hydrogen 2.868 N/A GLU 244.A N ALA 241.A O no hydrogen 2.990 N/A ARG 245.A N ASP 225.A OD1 no hydrogen 2.874 N/A ARG 245.A NE THR 108.A O no hydrogen 2.727 N/A ARG 245.A NH1 THR 108.A O no hydrogen 3.533 N/A ARG 245.A NH1 ASP 396.A OD2 no hydrogen 2.792 N/A ARG 245.A NH2 GLY 243.A O no hydrogen 2.936 N/A ARG 245.A NH2 ASP 396.A OD1 no hydrogen 2.800 N/A ARG 245.A NH2 ASP 396.A OD2 no hydrogen 3.442 N/A ALA 246.A N LEU 201.A O no hydrogen 3.061 N/A GLU 247.A N ALA 223.A O no hydrogen 2.918 N/A VAL 248.A N LEU 199.A O no hydrogen 2.939 N/A LEU 249.A N TYR 220.A O no hydrogen 2.768 N/A VAL 250.A N LEU 197.A O no hydrogen 2.785 N/A ARG 251.A NE LEU 304.A O.A no hydrogen 3.140 N/A ARG 251.A NE LEU 304.A O.B no hydrogen 3.116 N/A ARG 251.A NH1 LEU 304.A O.A no hydrogen 3.021 N/A ARG 251.A NH1 LEU 304.A O.B no hydrogen 2.920 N/A LEU 252.A N ALA 195.A O no hydrogen 2.633 N/A LYS 254.A NZ ASP 216.A OD2 no hydrogen 2.573 N/A PHE 258.A N LEU 295.A O.A no hydrogen 2.764 N/A PHE 258.A N LEU 295.A O.B no hydrogen 2.700 N/A LEU 259.A N.A GLN 215.A OE1 no hydrogen 2.977 N/A LEU 259.A N.B GLN 215.A OE1 no hydrogen 3.000 N/A LEU 260.A N LEU 293.A O no hydrogen 3.061 N/A GLN 261.A N ALA 213.A O no hydrogen 2.888 N/A ALA 262.A N GLU 290.A O no hydrogen 2.703 N/A LEU 263.A N.A ARG 211.A O no hydrogen 2.833 N/A LEU 263.A N.B ARG 211.A O no hydrogen 2.833 N/A TYR 265.A N SER 287.A OG no hydrogen 3.219 N/A TYR 265.A OH ASP 369.A OD2 no hydrogen 2.488 N/A ARG 267.A NE GLU 176.A OE2 no hydrogen 2.748 N/A ARG 267.A NH1 ASN 173.A O no hydrogen 2.780 N/A ARG 267.A NH2 ASN 173.A O no hydrogen 3.120 N/A ARG 267.A NH2 GLY 174.A O no hydrogen 3.254 N/A ARG 267.A NH2 GLU 176.A OE2 no hydrogen 2.815 N/A GLY 268.A N ASP 266.A OD1 no hydrogen 2.921 N/A MET 270.A N.A ASN 173.A OD1 no hydrogen 2.904 N/A MET 270.A N.B ASN 173.A OD1 no hydrogen 2.914 N/A GLY 271.A N MET 282.A O.A no hydrogen 2.618 N/A GLY 271.A N MET 282.A O.B no hydrogen 2.608 N/A GLY 271.A N MET 282.A O.C no hydrogen 2.603 N/A MET 273.A N HIS 280.A O no hydrogen 3.044 N/A GLY 276.A N ASP 274.A OD1 no hydrogen 3.356 N/A HIS 280.A N MET 273.A O no hydrogen 2.937 N/A HIS 280.A ND1 MET 278.A O no hydrogen 3.078 N/A MET 282.A N.A GLY 271.A O no hydrogen 2.862 N/A MET 282.A N.B GLY 271.A O no hydrogen 2.860 N/A MET 282.A N.C GLY 271.A O no hydrogen 2.862 N/A GLN 284.A N ALA 269.A O no hydrogen 2.812 N/A GLN 284.A NE2 MET 270.A O.A no hydrogen 3.096 N/A GLN 284.A NE2 MET 270.A O.B no hydrogen 3.379 N/A SER 287.A N TYR 265.A O no hydrogen 2.924 N/A SER 287.A OG TYR 265.A O no hydrogen 3.385 N/A GLU 290.A N ALA 262.A O no hydrogen 2.991 N/A LEU 292.A N LEU 260.A O no hydrogen 2.652 N/A LEU 293.A N LEU 260.A O no hydrogen 3.397 N/A TYR 294.A N PRO 188.A O no hydrogen 2.972 N/A LEU 295.A N.A PHE 258.A O no hydrogen 2.775 N/A LEU 295.A N.B PHE 258.A O no hydrogen 2.773 N/A ILE 296.A N.A LEU 190.A O.A no hydrogen 2.811 N/A ILE 296.A N.A LEU 190.A O.B no hydrogen 3.010 N/A ILE 296.A N.B LEU 190.A O.A no hydrogen 2.887 N/A ILE 296.A N.B LEU 190.A O.B no hydrogen 3.091 N/A ALA 297.A N GLY 256.A O no hydrogen 2.977 N/A LYS 299.A NZ GLU 255.A OE1 no hydrogen 3.420 N/A ASN 300.A N.A GLU 255.A OE1 no hydrogen 2.628 N/A ASN 300.A N.B GLU 255.A OE1 no hydrogen 2.623 N/A LYS 302.A NZ.A ASN 300.A OD1.B no hydrogen 1.930 N/A LYS 302.A NZ.A PRO 301.A O no hydrogen 3.377 N/A LEU 304.A N.A THR 196.A OG1 no hydrogen 3.066 N/A LEU 304.A N.B THR 196.A OG1 no hydrogen 3.023 N/A LEU 310.A N GLU 230.A O no hydrogen 2.881 N/A SER 311.A N.A LEU 229.A O no hydrogen 3.303 N/A SER 311.A N.B LEU 229.A O no hydrogen 3.302 N/A PHE 313.A N GLU 230.A OE2 no hydrogen 2.650 N/A VAL 320.A N VAL 357.A O no hydrogen 2.812 N/A ARG 323.A N.A VAL 359.A O no hydrogen 2.697 N/A ARG 323.A N.B VAL 359.A O no hydrogen 2.699 N/A ARG 323.A NE.A GLU 358.A OE1 no hydrogen 2.980 N/A ARG 323.A NE.B GLU 358.A OE1 no hydrogen 2.918 N/A ARG 323.A NH2.A LYS 351.A O.A no hydrogen 2.567 N/A ARG 323.A NH2.A LYS 351.A O.B no hydrogen 2.715 N/A ARG 323.A NH2.A GLU 358.A OE2 no hydrogen 2.946 N/A ARG 323.A NH2.B LYS 351.A O.A no hydrogen 2.559 N/A ARG 323.A NH2.B LYS 351.A O.B no hydrogen 2.706 N/A ARG 323.A NH2.B GLU 358.A OE2 no hydrogen 2.933 N/A ARG 324.A NE.B GLU 361.A OE1 no hydrogen 3.137 N/A ARG 324.A NH2.A GLU 363.A OE1 no hydrogen 2.507 N/A ARG 324.A NH2.B GLU 361.A OE1 no hydrogen 2.667 N/A LEU 325.A N.A GLU 361.A O no hydrogen 2.815 N/A LEU 325.A N.B GLU 361.A O no hydrogen 2.785 N/A VAL 326.A N.A ASN 339.A OD1 no hydrogen 2.826 N/A VAL 326.A N.B ASN 339.A OD1 no hydrogen 2.879 N/A LEU 327.A N GLU 363.A O no hydrogen 2.744 N/A THR 328.A N.A PHE 337.A O no hydrogen 3.141 N/A THR 328.A N.B PHE 337.A O no hydrogen 3.131 N/A ASP 330.A N ARG 335.A O no hydrogen 2.784 N/A ALA 333.A N ASP 330.A O no hydrogen 3.180 N/A ALA 334.A N MET 331.A O no hydrogen 2.900 N/A ARG 335.A N ASP 330.A O no hydrogen 3.153 N/A ARG 335.A NH2 ARG 430.A O no hydrogen 3.317 N/A PHE 337.A N THR 328.A O.A no hydrogen 3.066 N/A PHE 337.A N THR 328.A O.B no hydrogen 2.820 N/A ILE 338.A N GLN 341.A O no hydrogen 2.965 N/A ASN 339.A N VAL 326.A O.A no hydrogen 2.707 N/A ASN 339.A N VAL 326.A O.B no hydrogen 2.716 N/A ASN 339.A N VAL 326.A O.C no hydrogen 2.716 N/A ASN 339.A ND2 ARG 324.A O.A no hydrogen 3.178 N/A ASN 339.A ND2 ARG 324.A O.B no hydrogen 3.094 N/A GLN 341.A N ILE 338.A O no hydrogen 3.073 N/A PHE 343.A N GLY 431.A O no hydrogen 2.868 N/A ARG 346.A N ASP 344.A OD1 no hydrogen 3.005 N/A ARG 346.A NH2 ASP 344.A OD2 no hydrogen 3.358 N/A ARG 347.A N ASP 344.A O no hydrogen 2.979 N/A ARG 347.A NE ASP 349.A OD1 no hydrogen 2.727 N/A ARG 347.A NH1 VAL 342.A O.A no hydrogen 3.118 N/A ARG 347.A NH1 VAL 342.A O.B no hydrogen 3.078 N/A ARG 347.A NH2 VAL 342.A O.A no hydrogen 2.769 N/A ARG 347.A NH2 VAL 342.A O.B no hydrogen 2.854 N/A ARG 347.A NH2 ASP 349.A OD1 no hydrogen 3.387 N/A ASP 349.A N VAL 435.A O no hydrogen 2.853 N/A LEU 350.A N.A VAL 435.A O no hydrogen 3.084 N/A LEU 350.A N.B VAL 435.A O no hydrogen 3.072 N/A LYS 351.A NZ.A GLU 437.A OE1 no hydrogen 3.067 N/A LYS 351.A NZ.B GLY 352.A O no hydrogen 3.144 N/A GLY 352.A N GLU 437.A O no hydrogen 2.849 N/A ALA 354.A N GLY 439.A OXT no hydrogen 2.843 N/A GLN 355.A N LEU 412.A O no hydrogen 2.680 N/A GLN 355.A NE2 ARG 413.A O no hydrogen 3.314 N/A THR 356.A N GLN 353.A O no hydrogen 3.218 N/A THR 356.A OG1 GLN 353.A O no hydrogen 2.660 N/A GLU 358.A N VAL 410.A O no hydrogen 2.901 N/A VAL 359.A N VAL 321.A O no hydrogen 2.842 N/A TRP 360.A N LEU 408.A O no hydrogen 2.840 N/A TRP 360.A NE1 GLU 358.A OE1 no hydrogen 2.742 N/A GLU 361.A N ARG 323.A O.A no hydrogen 2.736 N/A GLU 361.A N ARG 323.A O.B no hydrogen 2.824 N/A VAL 362.A N ALA 406.A O no hydrogen 2.951 N/A GLU 363.A N LEU 325.A O.A no hydrogen 2.886 N/A GLU 363.A N LEU 325.A O.B no hydrogen 2.730 N/A ASN 364.A N GLU 404.A O no hydrogen 2.886 N/A ASN 364.A ND2 MET 368.A O no hydrogen 2.741 N/A ASN 364.A ND2 LEU 400.A O.A no hydrogen 2.949 N/A ASN 364.A ND2 LEU 400.A O.B no hydrogen 2.910 N/A GLN 365.A N LEU 327.A O no hydrogen 2.904 N/A GLN 365.A NE2 GLU 363.A OE2 no hydrogen 3.011 N/A GLY 366.A N ASN 364.A OD1 no hydrogen 2.821 N/A ASP 367.A N GLU 329.A OE1.A no hydrogen 3.144 N/A ASP 367.A N GLU 329.A OE1.B no hydrogen 2.538 N/A MET 368.A N GLU 329.A OE2.A no hydrogen 2.941 N/A ASP 369.A N ARG 267.A O no hydrogen 2.890 N/A HIS 370.A N LEU 400.A O.A no hydrogen 2.994 N/A HIS 370.A N LEU 400.A O.B no hydrogen 3.007 N/A HIS 370.A NE2 GLU 329.A OE2.A no hydrogen 2.696 N/A HIS 370.A NE2 GLU 329.A OE2.B no hydrogen 2.788 N/A PHE 372.A N VAL 398.A O no hydrogen 2.888 N/A HIS 373.A N HIS 421.A O no hydrogen 2.774 N/A HIS 373.A ND1 ASP 396.A O no hydrogen 2.556 N/A HIS 373.A NE2 HIS 72.A NE2.A no hydrogen 3.053 N/A HIS 373.A NE2 HIS 72.A NE2.B no hydrogen 2.968 N/A LEU 374.A N ASP 396.A O no hydrogen 3.179 N/A HIS 375.A N VAL 419.A O no hydrogen 3.118 N/A HIS 375.A NE2 HIS 421.A NE2 no hydrogen 2.956 N/A HIS 377.A N HIS 375.A O no hydrogen 2.696 N/A PHE 379.A N LYS 395.A O no hydrogen 2.771 N/A GLN 380.A N LEU 409.A O.A no hydrogen 2.951 N/A GLN 380.A N LEU 409.A O.B no hydrogen 2.998 N/A LEU 382.A N ARG 407.A O.A no hydrogen 2.797 N/A LEU 382.A N ARG 407.A O.B no hydrogen 2.783 N/A SER 383.A N ARG 407.A O.A no hydrogen 3.486 N/A VAL 384.A N ARG 387.A O no hydrogen 3.165 N/A GLY 385.A N VAL 405.A O no hydrogen 2.801 N/A ARG 387.A N VAL 384.A O no hydrogen 3.026 N/A ARG 387.A NH1 GLU 404.A OE2 no hydrogen 3.311 N/A ARG 387.A NH2 GLU 404.A OE2 no hydrogen 3.199 N/A PHE 389.A N LEU 382.A O no hydrogen 2.964 N/A ARG 392.A NE GLU 230.A OE1 no hydrogen 3.029 N/A ARG 392.A NH1 GLU 230.A OE1 no hydrogen 3.484 N/A ARG 392.A NH1 GLU 230.A OE2 no hydrogen 2.865 N/A LYS 395.A N PHE 379.A O no hydrogen 2.781 N/A LYS 395.A NZ ASP 225.A OD1 no hydrogen 3.318 N/A LYS 395.A NZ ASP 225.A OD2 no hydrogen 2.710 N/A LYS 395.A NZ GLU 244.A OE2 no hydrogen 2.894 N/A LYS 395.A NZ VAL 397.A O no hydrogen 2.793 N/A ASP 396.A N ASP 225.A OD2 no hydrogen 2.975 N/A VAL 397.A N ASP 225.A OD2 no hydrogen 3.020 N/A VAL 398.A N PHE 372.A O no hydrogen 2.888 N/A ASN 399.A ND2 ASP 369.A OD2 no hydrogen 2.943 N/A LEU 400.A N.A HIS 370.A O no hydrogen 3.065 N/A LEU 400.A N.B HIS 370.A O no hydrogen 3.059 N/A LYS 401.A N.A GLU 404.A OE1 no hydrogen 2.869 N/A LYS 401.A N.B GLU 404.A OE1 no hydrogen 2.872 N/A LYS 401.A NZ.A TYR 265.A OH no hydrogen 3.236 N/A LYS 401.A NZ.A ASP 266.A O no hydrogen 2.996 N/A LYS 401.A NZ.A ASP 369.A OD1 no hydrogen 2.941 N/A LYS 401.A NZ.B TYR 265.A OH no hydrogen 3.184 N/A LYS 401.A NZ.B ASP 266.A O no hydrogen 3.150 N/A LYS 401.A NZ.B ASP 369.A OD1 no hydrogen 3.046 N/A GLY 403.A N ASN 364.A O no hydrogen 2.758 N/A GLU 404.A N LYS 401.A O.A no hydrogen 2.923 N/A GLU 404.A N LYS 401.A O.B no hydrogen 2.980 N/A ALA 406.A N VAL 362.A O no hydrogen 2.846 N/A ARG 407.A N.A SER 383.A O no hydrogen 2.853 N/A ARG 407.A N.B SER 383.A O no hydrogen 2.861 N/A ARG 407.A NH1.A SER 383.A OG no hydrogen 2.849 N/A LEU 408.A N TRP 360.A O no hydrogen 2.794 N/A LEU 409.A N.A GLN 380.A O no hydrogen 2.818 N/A LEU 409.A N.B GLN 380.A O no hydrogen 2.825 N/A VAL 410.A N GLU 358.A O no hydrogen 2.628 N/A LEU 412.A N THR 356.A O no hydrogen 2.874 N/A ARG 413.A N HIS 377.A ND1 no hydrogen 2.898 N/A GLY 416.A N VAL 438.A O no hydrogen 2.885 N/A ARG 417.A NE.B GLU 437.A OE2 no hydrogen 2.565 N/A THR 418.A N LEU 436.A O no hydrogen 2.826 N/A VAL 419.A N THR 418.A OG1 no hydrogen 2.841 N/A PHE 420.A N GLY 434.A O no hydrogen 3.049 N/A HIS 421.A N HIS 373.A O no hydrogen 2.845 N/A HIS 421.A ND1 CYS 422.A O no hydrogen 2.769 N/A HIS 421.A NE2 HIS 375.A NE2 no hydrogen 2.956 N/A CYS 422.A N MET 432.A O.A no hydrogen 3.128 N/A CYS 422.A N MET 432.A O.B no hydrogen 3.157 N/A CYS 422.A SG HIS 370.A ND1 no hydrogen 3.738 N/A CYS 422.A SG PRO 371.A O no hydrogen 3.998 N/A CYS 422.A SG HIS 427.A ND1 no hydrogen 3.822 N/A HIS 423.A N PRO 371.A O no hydrogen 2.629 N/A HIS 423.A ND1 HIS 423.A O no hydrogen 2.768 N/A GLU 426.A N GLU 426.A OE1 no hydrogen 2.695 N/A HIS 427.A N ILE 424.A O no hydrogen 2.797 N/A HIS 427.A NE2 MET 172.A O no hydrogen 2.828 N/A GLU 428.A N.A ILE 424.A O no hydrogen 3.300 N/A GLU 428.A N.B ILE 424.A O no hydrogen 3.308 N/A ASP 429.A N VAL 425.A O no hydrogen 2.856 N/A ARG 430.A N GLU 426.A O no hydrogen 2.931 N/A ARG 430.A NE ALA 334.A O no hydrogen 2.651 N/A ARG 430.A NH2 ALA 333.A O no hydrogen 3.031 N/A ARG 430.A NH2 ALA 334.A O no hydrogen 3.259 N/A GLY 431.A N GLU 428.A O.A no hydrogen 3.117 N/A GLY 431.A N GLU 428.A O.B no hydrogen 2.991 N/A MET 432.A N.A HIS 427.A O no hydrogen 2.910 N/A MET 432.A N.B HIS 427.A O no hydrogen 2.884 N/A MET 433.A N GLY 431.A O no hydrogen 2.872 N/A GLY 434.A N PHE 420.A O no hydrogen 2.867 N/A VAL 435.A N ASP 349.A OD2 no hydrogen 2.906 N/A LEU 436.A N THR 418.A O no hydrogen 2.862 N/A GLU 437.A N LEU 350.A O.A no hydrogen 2.769 N/A GLU 437.A N LEU 350.A O.B no hydrogen 2.762 N/A VAL 438.A N GLY 416.A O no hydrogen 2.979 N/A GLY 439.A N GLY 352.A O no hydrogen 2.888 N/A