Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 THR 2.A O no hydrogen 2.889 N/A SER 5.A N GLU 57.A OE1 no hydrogen 2.967 N/A SER 5.A OG CYS 62.A O no hydrogen 2.631 N/A ALA 8.A N SER 5.A OG no hydrogen 3.178 N/A HIS 9.A N SER 5.A O no hydrogen 2.648 N/A ARG 10.A N GLU 6.A O no hydrogen 2.643 N/A ARG 10.A NH1 ASP 254.A OD2 no hydrogen 2.712 N/A PHE 11.A N ILE 7.A O no hydrogen 2.679 N/A ASN 12.A N ALA 8.A O no hydrogen 2.493 N/A ASP 13.A N HIS 9.A O no hydrogen 2.711 N/A LEU 14.A N ARG 10.A O no hydrogen 2.687 N/A GLY 15.A N PHE 11.A O no hydrogen 2.711 N/A LYS 17.A NZ GLU 158.A OE1 no hydrogen 3.019 N/A LYS 17.A NZ GLU 158.A OE2 no hydrogen 3.313 N/A PHE 19.A N GLY 15.A O no hydrogen 2.739 N/A LYS 20.A N GLU 16.A O no hydrogen 2.627 N/A LYS 20.A NZ ASN 44.A OD1 no hydrogen 2.456 N/A GLY 21.A N LYS 17.A O no hydrogen 2.676 N/A LEU 22.A N HIS 18.A O no hydrogen 2.633 N/A VAL 23.A N PHE 19.A O no hydrogen 2.693 N/A LEU 24.A N LYS 20.A O no hydrogen 2.611 N/A VAL 25.A N GLY 21.A O no hydrogen 2.793 N/A ALA 26.A N LEU 22.A O no hydrogen 2.474 N/A PHE 27.A N VAL 23.A O no hydrogen 2.720 N/A SER 28.A N LEU 24.A O no hydrogen 2.640 N/A SER 28.A OG LEU 24.A O no hydrogen 2.726 N/A GLN 29.A N VAL 25.A O no hydrogen 2.790 N/A GLN 29.A NE2 HIS 145.A O no hydrogen 3.023 N/A GLN 29.A NE2 PHE 148.A O no hydrogen 2.951 N/A TYR 30.A N ALA 26.A O no hydrogen 2.894 N/A TYR 30.A OH ASN 99.A OD1 no hydrogen 2.394 N/A LEU 31.A N PHE 27.A O no hydrogen 2.665 N/A GLN 32.A NE2 ASP 107.A O no hydrogen 2.648 N/A GLN 32.A NE2 ARG 143.A O no hydrogen 2.407 N/A CYS 34.A SG ASP 38.A OD2.B no hydrogen 3.590 N/A CYS 34.A SG TYR 84.A OH no hydrogen 3.344 N/A HIS 39.A N PRO 35.A O no hydrogen 3.144 N/A VAL 40.A N PHE 36.A O no hydrogen 2.798 N/A LYS 41.A N GLU 37.A O no hydrogen 2.780 N/A LEU 42.A N ASP 38.A O no hydrogen 3.017 N/A VAL 43.A N HIS 39.A O no hydrogen 2.723 N/A ASN 44.A N VAL 40.A O no hydrogen 2.718 N/A GLU 45.A N LYS 41.A O no hydrogen 2.786 N/A VAL 46.A N LEU 42.A O no hydrogen 2.799 N/A THR 47.A N VAL 43.A O no hydrogen 2.635 N/A THR 47.A OG1 VAL 43.A O no hydrogen 2.435 N/A GLU 48.A N ASN 44.A O no hydrogen 2.435 N/A PHE 49.A N GLU 45.A O no hydrogen 2.805 N/A ALA 50.A N VAL 46.A O no hydrogen 2.632 N/A LYS 51.A N THR 47.A O no hydrogen 2.673 N/A LYS 51.A NZ GLU 16.A OE2 no hydrogen 2.703 N/A LYS 52.A N GLU 48.A O no hydrogen 2.837 N/A CYS 53.A N PHE 49.A O no hydrogen 2.787 N/A CYS 53.A SG PHE 49.A O no hydrogen 2.935 N/A ALA 54.A N ALA 50.A O no hydrogen 2.601 N/A ALA 55.A N LYS 51.A O no hydrogen 3.022 N/A ALA 55.A N LYS 52.A O no hydrogen 2.904 N/A ASP 56.A N LYS 52.A O no hydrogen 2.715 N/A SER 58.A N ASP 56.A OD1 no hydrogen 3.078 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 2.646 N/A ALA 59.A N ASP 56.A O no hydrogen 2.828 N/A CYS 62.A N ALA 59.A O no hydrogen 2.997 N/A CYS 62.A SG ASP 56.A O no hydrogen 3.675 N/A CYS 62.A SG GLU 60.A O no hydrogen 3.912 N/A LYS 64.A N ASN 61.A O no hydrogen 3.216 N/A SER 65.A OG THR 68.A OG1 no hydrogen 2.855 N/A LEU 66.A N GLU 6.A OE2 no hydrogen 2.909 N/A HIS 67.A NE2 HIS 246.A O no hydrogen 2.940 N/A THR 68.A N SER 65.A OG no hydrogen 2.888 N/A THR 68.A OG1 SER 65.A OG no hydrogen 2.855 N/A LEU 69.A N SER 65.A O no hydrogen 2.970 N/A PHE 70.A N LEU 66.A O no hydrogen 2.612 N/A GLY 71.A N HIS 67.A O no hydrogen 2.591 N/A ASP 72.A N THR 68.A O no hydrogen 2.553 N/A LYS 73.A N LEU 69.A O no hydrogen 2.810 N/A LEU 74.A N PHE 70.A O no hydrogen 2.754 N/A CYS 75.A N GLY 71.A O no hydrogen 2.797 N/A CYS 75.A SG GLY 71.A O no hydrogen 2.940 N/A THR 76.A N LYS 73.A O no hydrogen 2.803 N/A THR 76.A OG1 LYS 73.A O no hydrogen 2.445 N/A VAL 77.A N LEU 74.A O no hydrogen 2.834 N/A THR 79.A OG1 THR 83.A OG1 no hydrogen 2.240 N/A THR 83.A N THR 79.A O no hydrogen 2.432 N/A THR 83.A OG1 THR 79.A O no hydrogen 3.097 N/A THR 83.A OG1 THR 79.A OG1 no hydrogen 2.240 N/A TYR 84.A N LEU 80.A O no hydrogen 2.755 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.489 N/A ALA 88.A N TYR 84.A O no hydrogen 3.197 N/A ASP 89.A N GLU 86.A O no hydrogen 2.915 N/A CYS 91.A N LEU 87.A O no hydrogen 2.973 N/A CYS 91.A SG LEU 87.A O no hydrogen 3.823 N/A GLU 92.A N ASP 89.A O no hydrogen 2.905 N/A LYS 93.A N CYS 90.A O no hydrogen 2.655 N/A LYS 93.A NZ ASP 89.A O no hydrogen 3.277 N/A LYS 93.A NZ ASP 89.A OD1 no hydrogen 2.932 N/A LYS 93.A NZ ASP 89.A OD2 no hydrogen 3.330 N/A ARG 98.A N GLN 94.A O no hydrogen 2.638 N/A ARG 98.A NE GLU 95.A OE2 no hydrogen 2.934 N/A ARG 98.A NH1 ASP 72.A OD1 no hydrogen 2.687 N/A ARG 98.A NH2 HIS 67.A O no hydrogen 3.300 N/A ARG 98.A NH2 THR 68.A O no hydrogen 2.687 N/A ARG 98.A NH2 ASP 72.A OD1 no hydrogen 2.978 N/A ARG 98.A NH2 GLU 95.A OE2 no hydrogen 2.980 N/A ASN 99.A N GLU 95.A OE1 no hydrogen 2.803 N/A ASN 99.A ND2 HIS 246.A O no hydrogen 2.720 N/A GLU 100.A N PRO 96.A O no hydrogen 2.902 N/A CYS 101.A N GLU 97.A O no hydrogen 2.984 N/A CYS 101.A N ARG 98.A O no hydrogen 3.002 N/A PHE 102.A N ARG 98.A O no hydrogen 2.840 N/A LEU 103.A N ASN 99.A O no hydrogen 2.621 N/A THR 104.A N GLU 100.A O no hydrogen 3.144 N/A THR 104.A OG1 GLU 100.A O no hydrogen 2.727 N/A HIS 105.A N CYS 101.A O no hydrogen 2.943 N/A LYS 106.A N LEU 103.A O no hydrogen 2.559 N/A LYS 106.A NZ PRO 146.A O no hydrogen 2.686 N/A ASP 107.A N GLN 32.A OE1 no hydrogen 2.526 N/A HIS 109.A N ASP 107.A OD1 no hydrogen 2.763 N/A LYS 116.A NZ GLU 118.A OE1 no hydrogen 2.982 N/A GLU 118.A N GLN 122.A OE1 no hydrogen 2.447 N/A GLN 122.A N GLU 118.A O no hydrogen 2.832 N/A CYS 123.A N PRO 119.A O no hydrogen 2.636 N/A ALA 124.A N ASP 120.A O no hydrogen 2.864 N/A ALA 125.A N ALA 121.A O no hydrogen 2.866 N/A PHE 126.A N GLN 122.A O no hydrogen 2.782 N/A GLN 127.A N CYS 123.A O no hydrogen 2.731 N/A GLN 127.A N ALA 124.A O no hydrogen 3.026 N/A GLU 128.A N ALA 124.A O no hydrogen 2.702 N/A ASP 129.A N ALA 125.A O no hydrogen 2.887 N/A LYS 132.A N ASP 129.A OD1 no hydrogen 3.065 N/A LYS 132.A NZ.A GLU 128.A OE2 no hydrogen 2.615 N/A PHE 133.A N ASP 129.A O no hydrogen 2.736 N/A LEU 134.A N PRO 130.A O no hydrogen 2.807 N/A GLY 135.A N ASP 131.A O no hydrogen 2.831 N/A LYS 136.A N LYS 132.A O no hydrogen 2.582 N/A LYS 136.A NZ GLU 140.A OE2 no hydrogen 2.757 N/A TYR 137.A N PHE 133.A O no hydrogen 2.962 N/A LEU 138.A N LEU 134.A O no hydrogen 2.721 N/A TYR 139.A N GLY 135.A O no hydrogen 2.738 N/A TYR 139.A OH CYS 34.A O no hydrogen 2.218 N/A GLU 140.A N LYS 136.A O no hydrogen 2.494 N/A VAL 141.A N TYR 137.A O no hydrogen 2.737 N/A ALA 142.A N LEU 138.A O no hydrogen 2.561 N/A ARG 143.A N TYR 139.A O no hydrogen 2.799 N/A ARG 143.A NE GLU 140.A OE1 no hydrogen 2.717 N/A ARG 143.A NH1 GLN 32.A O no hydrogen 2.539 N/A ARG 143.A NH2 GLU 140.A OE1 no hydrogen 3.087 N/A ARG 144.A N GLU 140.A O no hydrogen 3.219 N/A ARG 144.A NE PRO 113.A O no hydrogen 3.106 N/A ARG 144.A NH1 GLU 140.A O no hydrogen 2.681 N/A ARG 144.A NH1 GLU 140.A OE1 no hydrogen 2.374 N/A ARG 144.A NH2 PRO 113.A O no hydrogen 2.511 N/A HIS 145.A N VAL 141.A O no hydrogen 2.672 N/A HIS 145.A N ALA 142.A O no hydrogen 3.069 N/A PHE 148.A N HIS 145.A O no hydrogen 2.569 N/A LEU 153.A N TYR 149.A O no hydrogen 2.852 N/A LEU 153.A N GLY 150.A O no hydrogen 2.489 N/A LEU 154.A N GLY 150.A O no hydrogen 2.991 N/A PHE 155.A N PRO 151.A O no hydrogen 2.947 N/A HIS 156.A N GLU 152.A O no hydrogen 2.629 N/A HIS 156.A ND1 GLU 159.A OE2 no hydrogen 2.387 N/A ALA 157.A N LEU 153.A O no hydrogen 2.657 N/A GLU 158.A N LEU 154.A O no hydrogen 3.041 N/A GLU 159.A N PHE 155.A O no hydrogen 3.112 N/A TYR 160.A N HIS 156.A O no hydrogen 2.688 N/A LYS 161.A N ALA 157.A O no hydrogen 2.597 N/A ALA 162.A N GLU 158.A O no hydrogen 2.395 N/A ASP 163.A N GLU 159.A O no hydrogen 2.468 N/A PHE 164.A N TYR 160.A O no hydrogen 2.987 N/A THR 165.A N LYS 161.A O no hydrogen 2.608 N/A THR 165.A OG1 LYS 161.A O no hydrogen 2.687 N/A GLU 166.A N ALA 162.A O no hydrogen 2.741 N/A CYS 167.A N ASP 163.A O no hydrogen 2.671 N/A CYS 167.A SG ASP 163.A O no hydrogen 3.226 N/A CYS 168.A N PHE 164.A O no hydrogen 2.792 N/A CYS 168.A SG PHE 164.A O no hydrogen 2.983 N/A LYS 173.A NZ CYS 168.A O no hydrogen 3.440 N/A CYS 176.A N ASP 172.A O no hydrogen 2.768 N/A LEU 177.A N LYS 173.A O no hydrogen 3.152 N/A ILE 178.A N LEU 174.A O no hydrogen 2.545 N/A LEU 181.A N LEU 177.A O no hydrogen 2.651 N/A ASP 182.A N ILE 178.A O no hydrogen 2.554 N/A ALA 183.A N PRO 179.A O no hydrogen 2.702 N/A LEU 184.A N LYS 180.A O no hydrogen 2.685 N/A LYS 185.A N LEU 181.A O no hydrogen 2.709 N/A LYS 185.A NZ LEU 115.A O no hydrogen 3.466 N/A GLU 186.A N ASP 182.A O no hydrogen 2.970 N/A ARG 187.A N ALA 183.A O no hydrogen 2.601 N/A ILE 188.A N LEU 184.A O no hydrogen 2.509 N/A LEU 189.A N LYS 185.A O no hydrogen 2.605 N/A LEU 190.A N GLU 186.A O no hydrogen 2.809 N/A SER 191.A N ARG 187.A O no hydrogen 2.756 N/A SER 192.A N ILE 188.A O no hydrogen 2.672 N/A SER 192.A OG HIS 145.A ND1 no hydrogen 3.344 N/A ALA 193.A N LEU 189.A O no hydrogen 2.779 N/A LYS 194.A N LEU 190.A O no hydrogen 2.648 N/A LYS 194.A NZ GLU 291.A OE1 no hydrogen 2.681 N/A LYS 194.A NZ GLU 291.A OE2 no hydrogen 2.943 N/A GLU 195.A N SER 191.A O no hydrogen 2.677 N/A ARG 196.A N SER 192.A O no hydrogen 2.559 N/A ARG 196.A NE ASP 108.A OD1 no hydrogen 2.636 N/A ARG 196.A NH1 ARG 196.A O no hydrogen 3.380 N/A ARG 196.A NH2 ASP 108.A OD2 no hydrogen 2.685 N/A LEU 197.A N ALA 193.A O no hydrogen 2.920 N/A LYS 198.A N LYS 194.A O no hydrogen 2.990 N/A CYS 199.A N GLU 195.A O no hydrogen 2.729 N/A CYS 199.A SG GLU 195.A O no hydrogen 3.283 N/A SER 200.A N ARG 196.A O no hydrogen 2.569 N/A SER 200.A OG ARG 196.A O no hydrogen 2.572 N/A SER 200.A OG ASN 457.A OD1 no hydrogen 2.802 N/A SER 201.A N LEU 197.A O no hydrogen 2.664 N/A SER 201.A OG LEU 197.A O no hydrogen 2.559 N/A PHE 202.A N LYS 198.A O no hydrogen 2.986 N/A GLN 203.A N CYS 199.A O no hydrogen 2.741 N/A GLN 203.A NE2 GLU 464.A OE2 no hydrogen 2.775 N/A ASN 204.A N SER 200.A O no hydrogen 2.643 N/A PHE 205.A N SER 201.A O no hydrogen 2.828 N/A GLY 206.A N PHE 202.A O no hydrogen 3.040 N/A ALA 209.A N GLY 206.A O no hydrogen 2.976 N/A VAL 210.A N GLY 206.A O no hydrogen 3.097 N/A LYS 211.A N GLU 207.A O no hydrogen 2.514 N/A ALA 212.A N ARG 208.A O no hydrogen 2.930 N/A TRP 213.A N ALA 209.A O no hydrogen 2.731 N/A SER 214.A N VAL 210.A O no hydrogen 2.776 N/A SER 214.A OG VAL 210.A O no hydrogen 2.981 N/A VAL 215.A N LYS 211.A O no hydrogen 2.503 N/A ALA 216.A N ALA 212.A O no hydrogen 2.817 N/A ARG 217.A N TRP 213.A O no hydrogen 2.774 N/A ARG 217.A NH1 GLN 220.A OE1 no hydrogen 2.777 N/A ARG 217.A NH1 GLU 294.A OE2 no hydrogen 2.571 N/A ARG 217.A NH2 GLU 294.A OE2 no hydrogen 2.935 N/A LEU 218.A N SER 214.A O no hydrogen 2.535 N/A SER 219.A N VAL 215.A O no hydrogen 2.695 N/A SER 219.A OG VAL 215.A O no hydrogen 2.285 N/A GLN 220.A N ALA 216.A O no hydrogen 2.969 N/A GLN 220.A NE2 HIS 337.A O no hydrogen 2.741 N/A GLN 220.A NE2 TYR 340.A O no hydrogen 2.508 N/A LYS 221.A N ARG 217.A O no hydrogen 2.936 N/A LYS 221.A NZ VAL 292.A O no hydrogen 2.841 N/A PHE 222.A N LEU 218.A O no hydrogen 2.652 N/A PHE 222.A N SER 219.A O no hydrogen 3.198 N/A ALA 225.A N PHE 222.A O no hydrogen 2.750 N/A GLU 229.A N ASP 226.A OD2 no hydrogen 2.710 N/A VAL 230.A N ASP 226.A O no hydrogen 2.787 N/A SER 231.A N PHE 227.A O no hydrogen 2.586 N/A SER 231.A OG PHE 227.A O no hydrogen 2.558 N/A LYS 232.A N ALA 228.A O no hydrogen 2.716 N/A LYS 232.A NZ ASP 236.A OD2 no hydrogen 2.622 N/A ILE 233.A N GLU 229.A O no hydrogen 2.755 N/A VAL 234.A N VAL 230.A O no hydrogen 2.539 N/A THR 235.A N SER 231.A O no hydrogen 2.749 N/A THR 235.A OG1 SER 231.A O no hydrogen 2.876 N/A ASP 236.A N LYS 232.A O no hydrogen 2.934 N/A LEU 237.A N ILE 233.A O no hydrogen 2.573 N/A THR 238.A N VAL 234.A O no hydrogen 2.631 N/A THR 238.A OG1 VAL 234.A O no hydrogen 2.490 N/A LYS 239.A N THR 235.A O no hydrogen 2.847 N/A LYS 239.A NZ GLU 243.A OE2 no hydrogen 2.564 N/A LYS 239.A NZ GLU 251.A OE2 no hydrogen 3.555 N/A LYS 239.A NZ ASP 255.A OD2 no hydrogen 2.672 N/A VAL 240.A N ASP 236.A O no hydrogen 2.909 N/A HIS 241.A N LEU 237.A O no hydrogen 2.840 N/A HIS 241.A ND1 GLU 195.A OE2 no hydrogen 2.432 N/A LYS 242.A N THR 238.A O no hydrogen 2.602 N/A LYS 242.A NZ GLU 207.A OE2 no hydrogen 3.089 N/A GLU 243.A N LYS 239.A O no hydrogen 2.723 N/A CYS 244.A N VAL 240.A O no hydrogen 2.844 N/A CYS 245.A N HIS 241.A O no hydrogen 2.599 N/A CYS 245.A SG GLU 195.A OE2 no hydrogen 3.696 N/A CYS 245.A SG HIS 241.A O no hydrogen 2.798 N/A HIS 246.A N LYS 242.A O no hydrogen 2.758 N/A GLY 247.A N CYS 244.A O no hydrogen 2.697 N/A ASP 248.A N GLU 243.A O no hydrogen 2.512 N/A CYS 252.A N ASP 248.A O no hydrogen 2.780 N/A CYS 252.A SG VAL 240.A O no hydrogen 3.094 N/A ALA 253.A N LEU 249.A O no hydrogen 2.636 N/A ASP 254.A N LEU 250.A O no hydrogen 2.826 N/A ASP 255.A N GLU 251.A O no hydrogen 2.691 N/A ARG 256.A N CYS 252.A O no hydrogen 2.781 N/A ARG 256.A NH2 GLU 152.A OE2 no hydrogen 2.665 N/A ALA 257.A N ALA 253.A O no hydrogen 2.795 N/A ASP 258.A N ASP 254.A O no hydrogen 2.829 N/A LEU 259.A N ASP 255.A O no hydrogen 2.748 N/A ALA 260.A N ARG 256.A O no hydrogen 2.711 N/A LYS 261.A N ALA 257.A O no hydrogen 2.831 N/A TYR 262.A N ASP 258.A O no hydrogen 2.666 N/A TYR 262.A OH GLU 229.A OE2 no hydrogen 2.252 N/A ILE 263.A N LEU 259.A O no hydrogen 2.624 N/A CYS 264.A N ALA 260.A O no hydrogen 2.770 N/A CYS 264.A SG ALA 260.A O no hydrogen 3.224 N/A GLU 265.A N LYS 261.A O no hydrogen 2.605 N/A HIS 266.A N TYR 262.A O no hydrogen 2.933 N/A HIS 266.A N ILE 263.A O no hydrogen 2.868 N/A GLN 267.A N CYS 264.A O no hydrogen 3.442 N/A SER 269.A N HIS 266.A O no hydrogen 2.692 N/A SER 269.A OG GLU 229.A OE1 no hydrogen 3.034 N/A SER 269.A OG HIS 266.A O no hydrogen 2.802 N/A ILE 270.A N GLN 267.A O no hydrogen 2.752 N/A SER 271.A N GLN 267.A O no hydrogen 2.706 N/A GLY 272.A N ASP 295.A OD2 no hydrogen 3.188 N/A LYS 273.A N SER 271.A OG no hydrogen 3.019 N/A LEU 274.A N SER 271.A O no hydrogen 3.255 N/A LYS 275.A N GLY 272.A O no hydrogen 3.272 N/A CYS 277.A SG LYS 273.A O no hydrogen 3.771 N/A CYS 278.A N LEU 274.A O no hydrogen 2.554 N/A CYS 278.A SG LEU 274.A O no hydrogen 3.151 N/A ASP 279.A N LYS 275.A O no hydrogen 3.007 N/A ASP 279.A N ALA 276.A O no hydrogen 3.334 N/A LYS 280.A N CYS 277.A O no hydrogen 2.907 N/A LYS 285.A N PRO 281.A O no hydrogen 2.699 N/A SER 286.A N LEU 282.A O no hydrogen 2.984 N/A SER 286.A OG LEU 282.A O no hydrogen 3.519 N/A HIS 287.A N LEU 283.A O no hydrogen 2.731 N/A HIS 287.A ND1 GLU 152.A OE1 no hydrogen 2.505 N/A HIS 287.A ND1 GLU 152.A OE2 no hydrogen 3.145 N/A CYS 288.A N GLN 284.A O no hydrogen 2.527 N/A ILE 289.A N LYS 285.A O no hydrogen 2.613 N/A ALA 290.A N SER 286.A O no hydrogen 2.641 N/A GLU 291.A N HIS 287.A O no hydrogen 2.797 N/A GLU 291.A N CYS 288.A O no hydrogen 3.109 N/A VAL 292.A N ILE 289.A O no hydrogen 2.993 N/A ASP 295.A N LYS 221.A O no hydrogen 2.780 N/A LEU 301.A N PRO 298.A O no hydrogen 3.378 N/A PHE 308.A N LEU 304.A O no hydrogen 2.844 N/A ALA 309.A N ALA 305.A O no hydrogen 2.662 N/A GLU 310.A N ALA 305.A O no hydrogen 2.596 N/A GLU 313.A N ASP 311.A OD1 no hydrogen 2.527 N/A ILE 314.A N ASP 311.A O no hydrogen 3.463 N/A HIS 317.A N GLU 313.A O no hydrogen 2.797 N/A HIS 317.A NE2 ASP 311.A OD2 no hydrogen 3.219 N/A TYR 318.A N ILE 314.A O no hydrogen 2.466 N/A TYR 318.A OH GLU 357.A OE2 no hydrogen 2.514 N/A LYS 319.A N CYS 315.A O no hydrogen 2.619 N/A ASP 320.A N LYS 316.A O no hydrogen 2.789 N/A ALA 321.A N HIS 317.A O no hydrogen 2.748 N/A LYS 322.A NZ TYR 318.A OH no hydrogen 3.012 N/A LYS 322.A NZ GLU 353.A OE2 no hydrogen 2.576 N/A VAL 324.A N ALA 321.A O no hydrogen 2.959 N/A PHE 325.A N ALA 321.A O no hydrogen 2.632 N/A LEU 326.A N LYS 322.A O no hydrogen 2.671 N/A GLY 327.A N ASP 323.A O no hydrogen 2.690 N/A THR 328.A N VAL 324.A O no hydrogen 2.544 N/A THR 328.A OG1 VAL 324.A O no hydrogen 2.222 N/A PHE 329.A N PHE 325.A O no hydrogen 2.711 N/A LEU 330.A N LEU 326.A O no hydrogen 2.572 N/A TYR 331.A N GLY 327.A O no hydrogen 2.566 N/A TYR 331.A OH ALA 225.A O no hydrogen 2.260 N/A GLU 332.A N THR 328.A O no hydrogen 2.568 N/A TYR 333.A N PHE 329.A O no hydrogen 2.608 N/A SER 334.A N LEU 330.A O no hydrogen 2.659 N/A SER 334.A OG LEU 330.A O no hydrogen 2.409 N/A ARG 335.A N TYR 331.A O no hydrogen 2.773 N/A ARG 335.A NE PRO 223.A O no hydrogen 2.587 N/A ARG 335.A NH1 GLU 332.A OE1 no hydrogen 2.537 N/A ARG 335.A NH2 PRO 223.A O no hydrogen 2.532 N/A ARG 336.A NE GLU 332.A O no hydrogen 3.047 N/A ARG 336.A NH1 PRO 302.A O no hydrogen 2.570 N/A ARG 336.A NH2 PRO 302.A O no hydrogen 2.698 N/A ARG 336.A NH2 GLU 332.A OE1 no hydrogen 3.419 N/A HIS 337.A N SER 334.A O no hydrogen 2.739 N/A HIS 337.A ND1 ASP 339.A OD1 no hydrogen 2.666 N/A TYR 340.A N HIS 337.A O no hydrogen 2.935 N/A SER 341.A OG GLU 449.A OE2 no hydrogen 2.340 N/A VAL 342.A N ASN 450.A OD1 no hydrogen 2.964 N/A LEU 344.A N SER 341.A OG no hydrogen 2.706 N/A LEU 345.A N SER 341.A O no hydrogen 2.927 N/A LEU 346.A N VAL 342.A O no hydrogen 2.735 N/A ARG 347.A N SER 343.A O no hydrogen 2.708 N/A ARG 347.A NH1 SER 343.A OG.A no hydrogen 3.267 N/A ARG 347.A NH1 GLU 449.A OE1 no hydrogen 2.954 N/A ARG 347.A NH1 ALA 481.A O no hydrogen 2.664 N/A ARG 347.A NH2 GLU 449.A OE1 no hydrogen 2.710 N/A ARG 347.A NH2 GLU 449.A OE2 no hydrogen 2.845 N/A ILE 348.A N LEU 344.A O no hydrogen 2.670 N/A ALA 349.A N LEU 345.A O no hydrogen 2.658 N/A LYS 350.A N LEU 346.A O no hydrogen 2.867 N/A THR 351.A N ARG 347.A O no hydrogen 2.760 N/A THR 351.A OG1 ARG 347.A O no hydrogen 2.934 N/A TYR 352.A N ILE 348.A O no hydrogen 2.595 N/A TYR 352.A OH PHE 308.A O no hydrogen 2.581 N/A GLU 353.A N ALA 349.A O no hydrogen 2.699 N/A ALA 354.A N LYS 350.A O no hydrogen 2.579 N/A THR 355.A N THR 351.A O no hydrogen 2.583 N/A THR 355.A OG1 THR 351.A O no hydrogen 2.628 N/A LEU 356.A N TYR 352.A O no hydrogen 2.794 N/A GLU 357.A N GLU 353.A O no hydrogen 2.554 N/A LYS 358.A N ALA 354.A O no hydrogen 2.589 N/A CYS 359.A N THR 355.A O no hydrogen 2.583 N/A CYS 359.A SG THR 355.A O no hydrogen 2.955 N/A CYS 360.A N LEU 356.A O no hydrogen 2.726 N/A CYS 360.A SG LEU 356.A O no hydrogen 3.189 N/A ALA 361.A N LYS 358.A O no hydrogen 3.070 N/A GLU 362.A N CYS 359.A O no hydrogen 3.043 N/A ALA 367.A N ASP 364.A OD1 no hydrogen 2.662 N/A CYS 368.A N ASP 364.A O no hydrogen 3.232 N/A CYS 368.A SG GLU 362.A OE1 no hydrogen 3.327 N/A TYR 369.A N PRO 365.A O no hydrogen 2.701 N/A TYR 369.A OH ASP 311.A O no hydrogen 2.665 N/A ARG 370.A N PRO 366.A O no hydrogen 2.681 N/A ARG 370.A NH1 ARG 370.A O no hydrogen 3.508 N/A THR 371.A OG1 CYS 368.A O no hydrogen 3.227 N/A VAL 372.A N TYR 369.A O no hydrogen 2.709 N/A ASP 374.A N THR 371.A O no hydrogen 2.955 N/A GLN 375.A N VAL 372.A O no hydrogen 3.194 N/A GLN 375.A NE2 THR 371.A O no hydrogen 2.858 N/A PHE 376.A N PHE 373.A O no hydrogen 2.948 N/A THR 377.A OG1 ASP 374.A O no hydrogen 3.161 N/A VAL 380.A N PHE 376.A O no hydrogen 2.714 N/A GLU 381.A N THR 377.A O no hydrogen 2.766 N/A GLU 382.A N PRO 378.A O no hydrogen 3.122 N/A LYS 384.A N VAL 380.A O no hydrogen 3.059 N/A SER 385.A N GLU 381.A O no hydrogen 2.764 N/A SER 385.A OG GLU 382.A O no hydrogen 3.358 N/A LEU 386.A N GLU 382.A O no hydrogen 2.913 N/A VAL 387.A N PRO 383.A O no hydrogen 2.829 N/A LYS 388.A N LYS 384.A O no hydrogen 2.951 N/A LYS 388.A NZ ASP 392.A OD1 no hydrogen 2.965 N/A LYS 388.A NZ ASP 392.A OD2 no hydrogen 2.956 N/A LYS 389.A N SER 385.A O no hydrogen 2.695 N/A ASN 390.A N LEU 386.A O no hydrogen 2.817 N/A CYS 391.A N VAL 387.A O no hydrogen 2.671 N/A CYS 391.A SG VAL 387.A O no hydrogen 3.202 N/A ASP 392.A N LYS 388.A O no hydrogen 2.595 N/A LEU 393.A N LYS 389.A O no hydrogen 2.991 N/A PHE 394.A N ASN 390.A O no hydrogen 2.704 N/A GLU 395.A N CYS 391.A O no hydrogen 2.587 N/A GLU 396.A N ASP 392.A O no hydrogen 2.750 N/A VAL 397.A N LEU 393.A O no hydrogen 2.687 N/A VAL 397.A N PHE 394.A O no hydrogen 3.161 N/A GLY 398.A N PHE 394.A O no hydrogen 2.498 N/A TYR 400.A OH SER 551.A OG no hydrogen 2.986 N/A PHE 402.A N GLY 398.A O no hydrogen 2.856 N/A GLN 403.A N GLU 399.A O no hydrogen 2.637 N/A GLN 403.A NE2 ARG 427.A O no hydrogen 2.777 N/A ASN 404.A N TYR 400.A O no hydrogen 2.578 N/A ALA 405.A N ASP 401.A O no hydrogen 2.753 N/A LEU 406.A N PHE 402.A O no hydrogen 2.688 N/A ILE 407.A N GLN 403.A O no hydrogen 2.581 N/A VAL 408.A N ASN 404.A O no hydrogen 2.751 N/A ARG 409.A N ALA 405.A O no hydrogen 2.699 N/A ARG 409.A NH1 ASN 390.A OD1 no hydrogen 2.742 N/A ARG 409.A NH2 ASN 390.A OD1 no hydrogen 3.455 N/A TYR 410.A N LEU 406.A O no hydrogen 2.637 N/A THR 411.A N ILE 407.A O no hydrogen 2.609 N/A THR 411.A OG1 ILE 407.A O no hydrogen 2.352 N/A LYS 412.A N VAL 408.A O no hydrogen 2.802 N/A LYS 412.A NZ PRO 536.A O no hydrogen 2.811 N/A LYS 412.A NZ ALA 538.A O no hydrogen 2.455 N/A LYS 413.A N ARG 409.A O no hydrogen 3.096 N/A LYS 413.A NZ PHE 487.A O no hydrogen 2.681 N/A LYS 413.A NZ SER 488.A O no hydrogen 2.983 N/A LYS 413.A NZ LEU 490.A O no hydrogen 2.625 N/A ALA 414.A N THR 411.A O no hydrogen 3.211 N/A GLN 416.A N GLN 416.A OE1 no hydrogen 2.671 N/A GLN 416.A NE2 ASP 493.A OD1 no hydrogen 3.434 N/A VAL 417.A N ALA 414.A O no hydrogen 2.864 N/A SER 418.A OG THR 421.A OG1 no hydrogen 2.759 N/A THR 419.A OG1 GLU 530.A OE2 no hydrogen 2.365 N/A THR 421.A N SER 418.A OG no hydrogen 3.076 N/A THR 421.A OG1 SER 418.A OG no hydrogen 2.759 N/A LEU 422.A N SER 418.A O no hydrogen 2.763 N/A VAL 423.A N THR 419.A O no hydrogen 2.631 N/A GLU 424.A N PRO 420.A O no hydrogen 2.650 N/A ILE 425.A N THR 421.A O no hydrogen 2.634 N/A GLY 426.A N LEU 422.A O no hydrogen 2.779 N/A ARG 427.A N VAL 423.A O no hydrogen 2.610 N/A ARG 427.A NE GLN 525.A OE1 no hydrogen 3.248 N/A ARG 427.A NH2 GLN 521.A OE1 no hydrogen 2.723 N/A THR 428.A N GLU 424.A O no hydrogen 2.694 N/A THR 428.A OG1 GLU 424.A O no hydrogen 2.943 N/A LEU 429.A N ILE 425.A O no hydrogen 2.654 N/A GLY 430.A N GLY 426.A O no hydrogen 2.784 N/A LYS 431.A N ARG 427.A O no hydrogen 2.947 N/A VAL 432.A N THR 428.A O no hydrogen 2.845 N/A GLY 433.A N LEU 429.A O no hydrogen 3.067 N/A SER 434.A N GLY 430.A O no hydrogen 2.923 N/A SER 434.A OG GLU 399.A OE1 no hydrogen 2.501 N/A SER 434.A OG GLY 430.A O no hydrogen 2.756 N/A ARG 435.A N LYS 431.A O no hydrogen 2.734 N/A CYS 436.A N VAL 432.A O no hydrogen 2.491 N/A CYS 436.A SG VAL 432.A O no hydrogen 3.271 N/A CYS 437.A N GLY 433.A O no hydrogen 2.670 N/A LYS 438.A NZ SER 434.A O no hydrogen 3.444 N/A LYS 438.A NZ ARG 435.A O no hydrogen 2.992 N/A LEU 439.A N CYS 436.A O no hydrogen 3.115 N/A GLU 441.A N GLU 441.A OE1 no hydrogen 2.734 N/A GLU 443.A N PRO 440.A O no hydrogen 2.770 N/A ARG 444.A N GLU 441.A O no hydrogen 2.967 N/A ARG 444.A NE LEU 439.A O no hydrogen 2.534 N/A ARG 444.A NH2 LEU 439.A O no hydrogen 2.900 N/A CYS 447.A N GLU 443.A O no hydrogen 2.886 N/A SER 448.A N ARG 444.A O no hydrogen 2.660 N/A SER 448.A OG ARG 444.A O no hydrogen 2.463 N/A GLU 449.A N LEU 445.A O no hydrogen 2.712 N/A ASN 450.A N PRO 446.A O no hydrogen 2.568 N/A HIS 451.A N CYS 447.A O no hydrogen 2.832 N/A LEU 452.A N SER 448.A O no hydrogen 2.550 N/A ALA 453.A N GLU 449.A O no hydrogen 2.850 N/A LEU 454.A N ASN 450.A O no hydrogen 3.262 N/A LEU 454.A N HIS 451.A O no hydrogen 2.794 N/A ALA 455.A N HIS 451.A O no hydrogen 3.119 N/A LEU 456.A N LEU 452.A O no hydrogen 2.792 N/A ASN 457.A N ALA 453.A O no hydrogen 2.845 N/A ARG 458.A N LEU 454.A O no hydrogen 2.925 N/A ARG 458.A NE GLU 424.A OE1 no hydrogen 3.049 N/A ARG 458.A NH1 ASP 108.A O no hydrogen 2.651 N/A ARG 458.A NH2 HIS 109.A ND1 no hydrogen 3.109 N/A ARG 458.A NH2 GLU 424.A OE1 no hydrogen 3.115 N/A LEU 459.A N ALA 455.A O no hydrogen 2.942 N/A CYS 460.A N LEU 456.A O no hydrogen 2.678 N/A CYS 460.A SG LEU 456.A O no hydrogen 2.924 N/A VAL 461.A N ASN 457.A O no hydrogen 2.545 N/A LEU 462.A N ARG 458.A O no hydrogen 2.869 N/A HIS 463.A N LEU 459.A O no hydrogen 2.655 N/A GLU 464.A N VAL 461.A O no hydrogen 2.964 N/A LYS 465.A N LEU 462.A O no hydrogen 3.133 N/A THR 466.A N LEU 462.A O no hydrogen 2.847 N/A VAL 468.A N HIS 463.A NE2 no hydrogen 2.772 N/A SER 469.A N HIS 463.A NE2 no hydrogen 2.810 N/A LYS 471.A N SER 469.A OG no hydrogen 2.941 N/A ILE 472.A N SER 469.A OG no hydrogen 3.060 N/A THR 473.A N SER 469.A O no hydrogen 2.762 N/A THR 473.A OG1 SER 469.A O no hydrogen 3.141 N/A LYS 474.A N GLU 470.A O no hydrogen 2.596 N/A CYS 475.A N LYS 471.A O no hydrogen 2.922 N/A CYS 475.A SG LYS 471.A O no hydrogen 3.560 N/A CYS 476.A N ILE 472.A O no hydrogen 2.648 N/A CYS 476.A SG ILE 472.A O no hydrogen 3.007 N/A THR 477.A N LYS 474.A O no hydrogen 3.181 N/A THR 477.A OG1 THR 473.A O no hydrogen 2.765 N/A ASP 478.A N LYS 474.A O no hydrogen 2.737 N/A GLU 482.A N SER 479.A O no hydrogen 2.852 N/A ARG 483.A N LEU 480.A O no hydrogen 3.242 N/A ARG 483.A NH2 CYS 476.A O no hydrogen 2.623 N/A ARG 484.A NE GLU 449.A OE1 no hydrogen 2.779 N/A ARG 484.A NH1 GLU 382.A OE1 no hydrogen 3.483 N/A ARG 484.A NH1 GLU 382.A OE2 no hydrogen 2.677 N/A ARG 484.A NH1 SER 488.A OG no hydrogen 2.541 N/A ARG 484.A NH2 GLU 382.A OE1 no hydrogen 2.645 N/A ARG 484.A NH2 GLU 382.A OE2 no hydrogen 3.303 N/A ARG 484.A NH2 GLU 449.A OE1 no hydrogen 3.082 N/A CYS 486.A N GLU 482.A O no hydrogen 2.478 N/A PHE 487.A N ARG 483.A O no hydrogen 2.827 N/A SER 488.A N ARG 484.A O no hydrogen 2.647 N/A SER 488.A OG ARG 484.A O no hydrogen 3.052 N/A ALA 489.A N PRO 485.A O no hydrogen 2.720 N/A LEU 490.A N PHE 487.A O no hydrogen 2.871 N/A ASP 493.A N ASP 493.A OD2 no hydrogen 2.191 N/A TYR 496.A OH LYS 533.A O no hydrogen 3.013 N/A LYS 499.A N LYS 533.A O no hydrogen 2.777 N/A LYS 499.A NZ GLU 530.A OE1 no hydrogen 2.537 N/A LYS 499.A NZ GLU 530.A OE2 no hydrogen 2.872 N/A THR 505.A N LYS 502.A O no hydrogen 2.974 N/A THR 505.A OG1 LYS 502.A O no hydrogen 3.180 N/A PHE 506.A N ALA 503.A O no hydrogen 2.902 N/A THR 507.A N GLU 504.A O no hydrogen 2.795 N/A THR 507.A OG1 ALA 503.A O no hydrogen 2.456 N/A HIS 509.A ND1 GLU 564.A OE2 no hydrogen 2.510 N/A ALA 510.A N GLU 564.A OE1 no hydrogen 2.760 N/A ILE 512.A N HIS 509.A O no hydrogen 3.048 N/A CYS 513.A N ALA 510.A O no hydrogen 2.761 N/A CYS 513.A SG ALA 510.A O no hydrogen 3.095 N/A THR 514.A N ASP 511.A O no hydrogen 3.103 N/A THR 514.A OG1 ASP 511.A O no hydrogen 2.810 N/A LEU 515.A N ILE 512.A O no hydrogen 3.143 N/A GLU 517.A N GLU 517.A OE1.B no hydrogen 2.779 N/A LYS 520.A N PRO 516.A O no hydrogen 2.838 N/A LYS 520.A NZ LEU 515.A O no hydrogen 2.554 N/A GLN 521.A N GLU 517.A O no hydrogen 2.698 N/A ILE 522.A N ASP 518.A O no hydrogen 2.798 N/A LYS 523.A N GLU 519.A O no hydrogen 2.756 N/A LYS 524.A N LYS 520.A O no hydrogen 2.737 N/A GLN 525.A N GLN 521.A O no hydrogen 2.418 N/A GLN 525.A NE2 TYR 400.A O no hydrogen 3.401 N/A GLN 525.A NE2 GLN 403.A OE1 no hydrogen 2.760 N/A GLN 525.A NE2 ASN 404.A OD1 no hydrogen 2.740 N/A SER 526.A N ILE 522.A O no hydrogen 2.603 N/A SER 526.A OG ILE 522.A O no hydrogen 2.466 N/A ALA 527.A N LYS 523.A O no hydrogen 2.873 N/A LEU 528.A N LYS 524.A O no hydrogen 2.572 N/A ALA 529.A N GLN 525.A O no hydrogen 2.656 N/A GLU 530.A N SER 526.A O no hydrogen 2.809 N/A LEU 531.A N ALA 527.A O no hydrogen 2.474 N/A VAL 532.A N LEU 528.A O no hydrogen 2.805 N/A LYS 533.A N ALA 529.A O no hydrogen 2.712 N/A LYS 533.A NZ VAL 417.A O no hydrogen 2.564 N/A LYS 533.A NZ THR 419.A OG1 no hydrogen 2.600 N/A HIS 534.A N GLU 530.A O no hydrogen 2.884 N/A HIS 534.A ND1 LYS 499.A O no hydrogen 2.607 N/A LYS 535.A N LEU 531.A O no hydrogen 2.718 N/A ALA 538.A N LYS 535.A O no hydrogen 2.998 N/A THR 539.A N GLN 542.A OE1 no hydrogen 2.613 N/A THR 539.A OG1 GLN 542.A OE1 no hydrogen 3.199 N/A GLU 541.A N GLU 541.A OE1 no hydrogen 2.990 N/A GLN 542.A N THR 539.A OG1 no hydrogen 2.886 N/A GLN 542.A NE2 ALA 581.A O no hydrogen 2.565 N/A GLN 542.A NE2 ALA 583.A O no hydrogen 2.639 N/A LEU 543.A N THR 539.A O no hydrogen 2.822 N/A LYS 544.A N LYS 540.A O no hydrogen 2.619 N/A THR 545.A N GLU 541.A O no hydrogen 2.887 N/A THR 545.A OG1 GLU 541.A O no hydrogen 3.145 N/A VAL 546.A N GLN 542.A O no hydrogen 2.822 N/A LEU 547.A N LEU 543.A O no hydrogen 2.680 N/A GLY 548.A N LYS 544.A O no hydrogen 2.648 N/A ASN 549.A N THR 545.A O no hydrogen 2.717 N/A PHE 550.A N VAL 546.A O no hydrogen 2.736 N/A SER 551.A N LEU 547.A O no hydrogen 2.563 N/A SER 551.A OG TYR 400.A OH no hydrogen 2.986 N/A SER 551.A OG LEU 547.A O no hydrogen 3.142 N/A ALA 552.A N GLY 548.A O no hydrogen 2.835 N/A PHE 553.A N ASN 549.A O no hydrogen 2.896 N/A VAL 554.A N PHE 550.A O no hydrogen 2.709 N/A ALA 555.A N SER 551.A O no hydrogen 2.553 N/A LYS 556.A N ALA 552.A O no hydrogen 2.690 N/A LYS 556.A NZ GLU 570.A OE1.B no hydrogen 2.709 N/A LYS 556.A NZ GLU 570.A OE2.B no hydrogen 2.689 N/A CYS 557.A N PHE 553.A O no hydrogen 2.779 N/A CYS 557.A SG PHE 553.A O no hydrogen 3.333 N/A CYS 558.A N VAL 554.A O no hydrogen 2.755 N/A CYS 558.A SG VAL 554.A O no hydrogen 3.236 N/A GLY 559.A N ALA 555.A O no hydrogen 3.039 N/A GLY 559.A N LYS 556.A O no hydrogen 2.932 N/A ARG 560.A N CYS 557.A O no hydrogen 2.997 N/A LYS 563.A NZ CYS 558.A O no hydrogen 2.520 N/A ALA 565.A N ASP 562.A OD1 no hydrogen 2.840 N/A CYS 566.A N ASP 562.A O no hydrogen 2.907 N/A PHE 567.A N LYS 563.A O no hydrogen 2.911 N/A ALA 568.A N GLU 564.A O no hydrogen 2.634 N/A GLU 569.A N ALA 565.A O no hydrogen 2.558 N/A GLU 570.A N CYS 566.A O no hydrogen 2.760 N/A GLY 571.A N PHE 567.A O no hydrogen 2.781 N/A LEU 574.A N GLU 570.A O no hydrogen 3.136 N/A VAL 575.A N GLY 571.A O no hydrogen 2.559 N/A ALA 576.A N PRO 572.A O no hydrogen 2.755 N/A SER 577.A N LYS 573.A O no hydrogen 2.818 N/A SER 577.A OG LYS 573.A O no hydrogen 3.181 N/A SER 577.A OG LEU 574.A O no hydrogen 3.377 N/A SER 578.A N LEU 574.A O no hydrogen 2.783 N/A SER 578.A OG LEU 574.A O no hydrogen 2.568 N/A GLN 579.A N ALA 576.A O no hydrogen 3.050 N/A ALA 581.A N SER 577.A O no hydrogen 2.896 N/A ALA 581.A N SER 578.A O no hydrogen 2.989 N/A LEU 582.A N GLN 579.A O no hydrogen 3.016 N/A