Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2h1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 6.A OE1 no hydrogen 3.468 N/A PHE 4.A N HIS 305.A O no hydrogen 2.983 N/A GLU 6.A N LYS 3.A O no hydrogen 3.006 N/A PHE 7.A N PHE 4.A O no hydrogen 2.864 N/A ARG 8.A N TYR 327.A OH no hydrogen 2.950 N/A TYR 9.A OH GLU 72.A OE2 no hydrogen 2.425 N/A ARG 11.A NE GLU 72.A OE2 no hydrogen 3.075 N/A GLN 16.A N ASP 13.A OD1 no hydrogen 3.322 N/A GLN 16.A NE2 GLN 16.A O no hydrogen 2.981 N/A GLN 16.A NE2 SER 20.A OG no hydrogen 2.766 N/A LEU 17.A N ASP 13.A O no hydrogen 2.976 N/A GLN 18.A N ILE 14.A O no hydrogen 2.874 N/A ALA 19.A N ALA 15.A O no hydrogen 3.016 N/A SER 20.A N GLN 16.A O no hydrogen 2.964 N/A SER 20.A OG GLN 16.A O no hydrogen 3.028 N/A PHE 21.A N LEU 17.A O no hydrogen 2.849 N/A GLN 22.A N GLN 18.A O no hydrogen 2.890 N/A GLN 22.A NE2 ASP 89.A OD1 no hydrogen 3.330 N/A GLU 23.A N ALA 19.A O no hydrogen 3.101 N/A ALA 24.A N SER 20.A O no hydrogen 3.091 N/A LEU 25.A N PHE 21.A O no hydrogen 2.948 N/A ASP 26.A N GLN 22.A O no hydrogen 2.807 N/A SER 27.A N GLU 23.A O no hydrogen 3.182 N/A SER 27.A OG GLU 23.A O no hydrogen 3.242 N/A PHE 28.A N ALA 24.A O no hydrogen 2.952 N/A ARG 29.A N LEU 25.A O no hydrogen 2.933 N/A ARG 30.A N ASP 26.A O no hydrogen 2.834 N/A ARG 30.A NE ASP 26.A OD2 no hydrogen 3.129 N/A ALA 31.A N PHE 28.A O no hydrogen 3.334 N/A LEU 36.A N SER 33.A OG no hydrogen 2.911 N/A GLN 37.A N SER 33.A O no hydrogen 3.288 N/A GLN 37.A NE2 PHE 28.A O no hydrogen 3.142 N/A HIS 38.A N ALA 34.A O no hydrogen 2.941 N/A GLU 39.A N ALA 35.A O no hydrogen 3.266 N/A ALA 40.A N LEU 36.A O no hydrogen 3.266 N/A ARG 42.A N GLU 39.A O no hydrogen 3.074 N/A ILE 43.A N ALA 40.A O no hydrogen 2.887 N/A ASN 44.A ND2 ASP 363.A O no hydrogen 3.591 N/A GLU 45.A N LYS 41.A O no hydrogen 2.827 N/A LEU 46.A N ARG 42.A O no hydrogen 3.104 N/A ARG 47.A N ILE 43.A O no hydrogen 2.964 N/A ARG 47.A NH1 ASN 44.A OD1 no hydrogen 3.137 N/A ARG 47.A NH1 GLU 366.A OE2 no hydrogen 2.810 N/A ARG 47.A NH2 TYR 91.A OH no hydrogen 3.491 N/A ARG 47.A NH2 GLU 366.A OE2 no hydrogen 2.821 N/A ARG 48.A N ASN 44.A O no hydrogen 2.985 N/A ARG 48.A NE ASP 325.A OD1 no hydrogen 3.371 N/A ARG 48.A NH1 ASP 363.A O no hydrogen 3.013 N/A ARG 49.A N GLU 45.A O no hydrogen 3.127 N/A TYR 50.A N LEU 46.A O no hydrogen 3.275 N/A TYR 50.A OH THR 79.A OG1 no hydrogen 2.958 N/A SER 51.A N ARG 47.A O no hydrogen 2.899 N/A SER 51.A OG ARG 48.A O no hydrogen 3.416 N/A SER 51.A OG ASP 325.A OD2 no hydrogen 3.031 N/A THR 52.A N ARG 48.A O no hydrogen 2.843 N/A THR 52.A OG1 ARG 48.A O no hydrogen 2.653 N/A ASN 54.A N SER 51.A O no hydrogen 2.979 N/A ASN 54.A ND2 TYR 323.A O no hydrogen 2.691 N/A LEU 55.A N THR 52.A O no hydrogen 2.903 N/A HIS 57.A N ALA 53.A O no hydrogen 2.841 N/A HIS 57.A ND1 GLN 73.A OE1 no hydrogen 2.992 N/A ILE 58.A N ASN 54.A O no hydrogen 2.942 N/A ARG 59.A N LEU 55.A O no hydrogen 3.271 N/A ARG 59.A NH1 PHE 7.A O no hydrogen 3.458 N/A ARG 59.A NH1 TYR 69.A OH no hydrogen 3.045 N/A ARG 59.A NH2 PHE 4.A O no hydrogen 3.098 N/A ARG 59.A NH2 PHE 7.A O no hydrogen 3.066 N/A HIS 60.A N CYS 56.A O no hydrogen 2.768 N/A THR 61.A N HIS 57.A O no hydrogen 2.948 N/A THR 61.A OG1 HIS 57.A O no hydrogen 3.033 N/A THR 61.A OG1 ILE 58.A O no hydrogen 3.117 N/A THR 61.A OG1 TYR 320.A OH no hydrogen 2.580 N/A ILE 62.A N ILE 58.A O no hydrogen 2.877 N/A ASP 63.A N ARG 59.A O no hydrogen 3.474 N/A THR 64.A N GLY 314.A O no hydrogen 3.076 N/A THR 64.A OG1 GLY 314.A O no hydrogen 2.716 N/A ASN 65.A N ASP 63.A OD1 no hydrogen 3.144 N/A ASP 66.A N ASP 63.A O no hydrogen 3.183 N/A LYS 70.A N ASP 66.A O no hydrogen 2.992 N/A LYS 70.A NZ GLU 67.A OE1 no hydrogen 2.644 N/A LYS 71.A N GLU 67.A O no hydrogen 3.172 N/A GLU 72.A N PHE 68.A O no hydrogen 3.106 N/A GLN 73.A N TYR 69.A O no hydrogen 2.848 N/A GLN 73.A NE2 GLN 73.A O no hydrogen 3.007 N/A GLN 73.A NE2 ASP 77.A OD1 no hydrogen 3.377 N/A ASP 74.A N LYS 70.A O no hydrogen 3.269 N/A PHE 75.A N LYS 71.A O no hydrogen 3.163 N/A PHE 76.A N GLU 72.A O no hydrogen 3.181 N/A ASP 77.A N GLN 73.A O no hydrogen 2.981 N/A GLU 78.A N ASP 74.A O no hydrogen 2.882 N/A THR 79.A N PHE 75.A O no hydrogen 2.808 N/A THR 79.A OG1 TYR 50.A OH no hydrogen 2.958 N/A THR 79.A OG1 PHE 75.A O no hydrogen 3.115 N/A GLU 80.A N PHE 76.A O no hydrogen 2.979 N/A VAL 82.A N THR 79.A O no hydrogen 2.928 N/A VAL 83.A N THR 79.A O no hydrogen 3.164 N/A LYS 84.A N GLU 80.A O no hydrogen 2.910 N/A GLY 85.A N PRO 81.A O no hydrogen 3.209 N/A LEU 86.A N VAL 82.A O no hydrogen 3.117 N/A VAL 87.A N VAL 83.A O no hydrogen 2.883 N/A ASN 88.A N LYS 84.A O no hydrogen 2.791 N/A ASP 89.A N GLY 85.A O no hydrogen 2.889 N/A TYR 90.A N LEU 86.A O no hydrogen 2.987 N/A TYR 91.A N VAL 87.A O no hydrogen 2.753 N/A TYR 91.A OH GLU 366.A OE2 no hydrogen 2.515 N/A ARG 92.A N ASN 88.A O no hydrogen 2.984 N/A ARG 92.A NH1 ASN 88.A OD1 no hydrogen 2.940 N/A ARG 92.A NH2 ASN 88.A OD1 no hydrogen 3.552 N/A ALA 93.A N ASP 89.A O no hydrogen 3.304 N/A LEU 94.A N TYR 90.A O no hydrogen 2.957 N/A VAL 95.A N TYR 91.A O no hydrogen 2.961 N/A SER 97.A N LEU 94.A O no hydrogen 3.055 N/A SER 97.A OG GLN 37.A OE1 no hydrogen 2.555 N/A PHE 99.A N SER 97.A OG no hydrogen 2.961 N/A ARG 100.A N SER 97.A O no hydrogen 2.764 N/A ARG 100.A NE GLU 104.A OE1 no hydrogen 3.522 N/A ARG 100.A NH1 VAL 95.A O no hydrogen 2.986 N/A ARG 100.A NH1 GLU 116.A OE2 no hydrogen 2.891 N/A ARG 100.A NH2 GLU 116.A OE2 no hydrogen 2.920 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.813 N/A LEU 103.A N PHE 99.A O no hydrogen 2.885 N/A GLU 104.A N ARG 100.A O no hydrogen 2.820 N/A GLN 105.A N ALA 101.A O no hydrogen 3.162 N/A VAL 106.A N GLU 102.A O no hydrogen 3.238 N/A TRP 107.A N LEU 103.A O no hydrogen 2.863 N/A TRP 107.A NE1 ASP 363.A OD1 no hydrogen 3.181 N/A GLY 108.A N GLU 104.A O no hydrogen 2.734 N/A LEU 111.A N TYR 367.A OH no hydrogen 2.885 N/A ALA 113.A N LYS 109.A O no hydrogen 2.847 N/A LEU 114.A N GLN 110.A O no hydrogen 2.890 N/A ALA 115.A N LEU 111.A O no hydrogen 3.078 N/A GLU 116.A N PHE 112.A O no hydrogen 2.947 N/A THR 117.A N ALA 113.A O no hydrogen 3.175 N/A THR 117.A OG1 ALA 113.A O no hydrogen 2.886 N/A GLN 118.A N LEU 114.A O no hydrogen 3.048 N/A GLN 118.A NE2 ALA 218.A O no hydrogen 2.804 N/A GLN 118.A NE2 ARG 219.A O no hydrogen 3.509 N/A LEU 119.A N ALA 115.A O no hydrogen 3.024 N/A LYS 120.A N THR 117.A O no hydrogen 3.272 N/A THR 121.A N GLN 118.A O no hydrogen 3.129 N/A ILE 126.A N ALA 123.A O no hydrogen 2.976 N/A VAL 127.A N PRO 124.A O no hydrogen 3.211 N/A LEU 130.A N ILE 126.A O no hydrogen 2.877 N/A GLN 131.A N VAL 127.A O no hydrogen 2.963 N/A GLN 131.A NE2 GLU 78.A O no hydrogen 2.572 N/A LYS 132.A N GLU 128.A O no hydrogen 3.088 N/A LYS 132.A NZ GLU 195.A OE2 no hydrogen 3.400 N/A GLU 133.A N ASP 129.A O no hydrogen 2.855 N/A ASN 134.A N LEU 130.A O no hydrogen 3.012 N/A ASN 134.A ND2 ASP 77.A O no hydrogen 2.890 N/A ASN 134.A ND2 GLU 80.A OE1 no hydrogen 3.288 N/A LYS 135.A N GLN 131.A O no hydrogen 3.060 N/A LYS 135.A NZ GLU 78.A OE2 no hydrogen 3.075 N/A LEU 136.A N LYS 132.A O no hydrogen 3.007 N/A ALA 137.A N GLU 133.A O no hydrogen 3.021 N/A SER 138.A N ASN 134.A O no hydrogen 3.112 N/A SER 138.A OG ASP 77.A OD1 no hydrogen 3.426 N/A SER 138.A OG ASP 77.A OD2 no hydrogen 2.939 N/A GLU 139.A N LYS 135.A O no hydrogen 2.890 N/A TYR 140.A N LEU 136.A O no hydrogen 3.283 N/A TYR 140.A N ALA 137.A O no hydrogen 3.045 N/A TYR 140.A OH GLN 463.A O no hydrogen 2.797 N/A THR 141.A N ALA 137.A O no hydrogen 3.328 N/A LYS 142.A N SER 138.A O no hydrogen 2.905 N/A LEU 143.A N GLU 139.A O no hydrogen 3.005 N/A ILE 144.A N TYR 140.A O no hydrogen 3.091 N/A ALA 145.A N THR 141.A O no hydrogen 2.985 N/A SER 146.A N LEU 143.A O no hydrogen 3.114 N/A SER 146.A OG LYS 142.A O no hydrogen 3.545 N/A SER 146.A OG LEU 143.A O no hydrogen 2.697 N/A ALA 147.A N ILE 144.A O no hydrogen 3.235 N/A ILE 149.A N ARG 155.A O no hydrogen 2.914 N/A GLU 153.A N PHE 150.A O no hydrogen 3.470 N/A ARG 155.A N ILE 149.A O no hydrogen 2.741 N/A ARG 155.A NH1 PHE 150.A O no hydrogen 2.651 N/A THR 156.A N GLN 159.A OE1 no hydrogen 2.807 N/A GLN 159.A N THR 156.A O no hydrogen 3.041 N/A GLN 159.A N THR 156.A OG1 no hydrogen 3.319 N/A GLN 159.A NE2 ALA 311.A O no hydrogen 3.579 N/A LEU 160.A N LEU 157.A O no hydrogen 3.288 N/A GLN 161.A N ALA 158.A O no hydrogen 3.112 N/A GLN 161.A NE2 GLU 165.A OE1 no hydrogen 2.755 N/A VAL 164.A N LEU 160.A O no hydrogen 2.849 N/A GLU 165.A N GLN 161.A O no hydrogen 2.997 N/A SER 166.A N PHE 163.A O no hydrogen 3.089 N/A SER 166.A OG ASP 168.A O no hydrogen 3.533 N/A ASP 168.A N SER 166.A OG no hydrogen 2.906 N/A ARG 169.A NE ASP 264.A OD1 no hydrogen 2.920 N/A ARG 169.A NH2 ASP 264.A OD2 no hydrogen 2.792 N/A ALA 170.A N ASP 168.A OD2 no hydrogen 3.027 N/A ARG 171.A NE SER 166.A O no hydrogen 2.751 N/A ARG 171.A NH1 TYR 263.A O no hydrogen 3.560 N/A ARG 171.A NH1 ASP 264.A OD1 no hydrogen 2.560 N/A GLN 172.A N ARG 169.A O no hydrogen 3.147 N/A GLN 172.A NE2 GLU 176.A OE2 no hydrogen 3.264 N/A ARG 173.A N ALA 170.A O no hydrogen 3.164 N/A ARG 173.A NH2 GLU 151.A OE2 no hydrogen 2.721 N/A SER 175.A N ARG 171.A O no hydrogen 2.981 N/A SER 175.A OG ARG 171.A O no hydrogen 3.349 N/A GLU 176.A N GLN 172.A O no hydrogen 2.990 N/A ALA 177.A N ARG 173.A O no hydrogen 2.947 N/A ARG 178.A N ALA 174.A O no hydrogen 2.911 N/A ARG 178.A NE LEU 157.A O no hydrogen 3.572 N/A ARG 178.A NH1 GLN 161.A OE1 no hydrogen 3.372 N/A ARG 178.A NH2 LEU 157.A O no hydrogen 3.362 N/A ARG 178.A NH2 GLN 161.A OE1 no hydrogen 2.780 N/A PHE 179.A N SER 175.A O no hydrogen 2.905 N/A SER 180.A N GLU 176.A O no hydrogen 2.765 N/A SER 180.A OG GLU 176.A O no hydrogen 3.255 N/A SER 180.A OG ALA 177.A O no hydrogen 2.633 N/A LYS 183.A N PHE 179.A O no hydrogen 2.804 N/A ASP 184.A N SER 180.A O no hydrogen 3.012 N/A TYR 185.A N PHE 181.A O no hydrogen 3.153 N/A GLU 186.A N LYS 183.A O no hydrogen 3.393 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.812 N/A LEU 189.A N TYR 185.A O no hydrogen 2.868 N/A ASP 190.A N GLU 186.A O no hydrogen 2.761 N/A GLU 191.A N LYS 187.A O no hydrogen 2.954 N/A LEU 192.A N GLU 188.A O no hydrogen 2.852 N/A TYR 193.A N LEU 189.A O no hydrogen 3.056 N/A ASP 194.A N ASP 190.A O no hydrogen 2.929 N/A GLU 195.A N GLU 191.A O no hydrogen 2.885 N/A LEU 196.A N LEU 192.A O no hydrogen 2.996 N/A VAL 197.A N TYR 193.A O no hydrogen 2.762 N/A HIS 198.A N ASP 194.A O no hydrogen 3.128 N/A VAL 199.A N GLU 195.A O no hydrogen 2.963 N/A ARG 200.A N LEU 196.A O no hydrogen 2.988 N/A ARG 200.A NE GLU 133.A OE1 no hydrogen 2.719 N/A ARG 200.A NH1 TYR 469.A O no hydrogen 3.169 N/A ARG 200.A NH2 GLU 133.A OE1 no hydrogen 3.401 N/A ARG 200.A NH2 TYR 469.A O no hydrogen 2.850 N/A THR 201.A N VAL 197.A O no hydrogen 2.951 N/A THR 201.A OG1 VAL 197.A O no hydrogen 2.909 N/A ALA 202.A N HIS 198.A O no hydrogen 2.955 N/A ILE 203.A N VAL 199.A O no hydrogen 2.920 N/A ALA 204.A N ARG 200.A O no hydrogen 3.117 N/A ARG 205.A N THR 201.A O no hydrogen 2.830 N/A ARG 205.A NH1 GLN 210.A O no hydrogen 2.744 N/A LYS 206.A N ALA 202.A O no hydrogen 2.842 N/A LYS 206.A NZ ASP 129.A OD1 no hydrogen 2.769 N/A LEU 207.A N ILE 203.A O no hydrogen 2.982 N/A GLY 208.A N ARG 205.A O no hydrogen 2.888 N/A PHE 209.A N ALA 204.A O no hydrogen 2.829 N/A VAL 213.A N ASN 211.A OD1 no hydrogen 3.219 N/A GLY 216.A N PHE 212.A O no hydrogen 2.718 N/A TYR 217.A N VAL 213.A O no hydrogen 3.126 N/A ALA 218.A N GLU 214.A O no hydrogen 3.145 N/A ARG 219.A N LEU 215.A O no hydrogen 2.794 N/A ARG 219.A NH1 GLU 133.A OE1 no hydrogen 2.792 N/A ARG 219.A NH1 GLU 133.A OE2 no hydrogen 3.257 N/A ARG 219.A NH2 GLU 133.A OE2 no hydrogen 2.930 N/A LEU 220.A N GLY 216.A O no hydrogen 3.191 N/A LEU 220.A N TYR 217.A O no hydrogen 2.972 N/A GLY 221.A N ALA 218.A O no hydrogen 3.023 N/A ARG 222.A N TYR 217.A O no hydrogen 3.357 N/A ARG 222.A NH2 PHE 473.A O no hydrogen 2.804 N/A ARG 222.A NH2 ASP 477.A OD2 no hydrogen 3.201 N/A TYR 225.A OH GLU 373.A OE1 no hydrogen 2.653 N/A ALA 230.A N ALA 227.A O no hydrogen 2.996 N/A GLY 231.A N ASP 228.A O no hydrogen 3.272 N/A TYR 232.A OH THR 479.A O no hydrogen 2.647 N/A ARG 233.A N VAL 229.A O no hydrogen 2.964 N/A ARG 233.A NE GLU 418.A OE1 no hydrogen 2.803 N/A ARG 233.A NH1 ASP 417.A OD1 no hydrogen 2.848 N/A ARG 234.A N ALA 230.A O no hydrogen 3.236 N/A GLN 235.A N GLY 231.A O no hydrogen 3.178 N/A GLN 235.A NE2 PRO 527.A O no hydrogen 3.258 N/A GLN 235.A NE2 ALA 529.A O no hydrogen 3.685 N/A VAL 236.A N TYR 232.A O no hydrogen 3.043 N/A LYS 237.A N ARG 233.A O no hydrogen 2.780 N/A THR 238.A N ARG 234.A O no hydrogen 2.873 N/A THR 238.A OG1 ARG 234.A O no hydrogen 3.118 N/A HIS 239.A N GLN 235.A O no hydrogen 3.029 N/A ILE 240.A N VAL 236.A O no hydrogen 2.818 N/A ALA 244.A N ILE 240.A O no hydrogen 2.768 N/A ALA 245.A N VAL 241.A O no hydrogen 3.075 N/A LYS 246.A N PRO 242.A O no hydrogen 3.271 N/A LYS 246.A NZ GLU 541.A OE1 no hydrogen 2.960 N/A LYS 246.A NZ ASP 545.A OD1 no hydrogen 2.971 N/A LYS 246.A NZ ASP 545.A OD2 no hydrogen 3.339 N/A LEU 247.A N LEU 243.A O no hydrogen 3.034 N/A ARG 248.A N ALA 244.A O no hydrogen 2.970 N/A ARG 248.A NH1 GLN 251.A OE1 no hydrogen 2.573 N/A ARG 248.A NH1 GLU 265.A O no hydrogen 3.162 N/A GLU 249.A N ALA 245.A O no hydrogen 3.025 N/A ARG 250.A N LYS 246.A O no hydrogen 2.961 N/A GLN 251.A N LEU 247.A O no hydrogen 2.834 N/A GLN 251.A NE2 GLU 265.A O no hydrogen 2.821 N/A GLN 251.A NE2 PHE 267.A O no hydrogen 2.770 N/A ARG 252.A N ARG 248.A O no hydrogen 2.780 N/A ARG 252.A NE GLU 249.A OE1 no hydrogen 2.934 N/A ARG 252.A NE GLU 249.A OE2 no hydrogen 2.944 N/A ARG 252.A NH1 GLU 258.A O no hydrogen 2.908 N/A ARG 252.A NH2 GLU 249.A OE2 no hydrogen 2.748 N/A GLN 253.A N GLU 249.A O no hydrogen 3.170 N/A GLN 253.A NE2 GLU 249.A OE2 no hydrogen 3.466 N/A ARG 254.A N ARG 250.A O no hydrogen 3.169 N/A ARG 254.A NH1 ASP 549.A OD1 no hydrogen 2.831 N/A ILE 255.A N GLN 251.A O no hydrogen 2.981 N/A GLN 256.A N GLN 253.A O no hydrogen 2.914 N/A VAL 257.A N ARG 252.A O no hydrogen 3.287 N/A TYR 261.A N ASP 264.A OD2 no hydrogen 2.795 N/A TYR 262.A N ASP 449.A O no hydrogen 3.111 N/A ASP 264.A N TYR 261.A O no hydrogen 2.809 N/A GLU 265.A N TYR 261.A O no hydrogen 3.189 N/A PHE 267.A N ASP 264.A O no hydrogen 2.728 N/A GLY 271.A N PHE 268.A O no hydrogen 2.945 N/A ASN 272.A ND2 GLU 165.A OE2 no hydrogen 3.035 N/A ASN 272.A ND2 PRO 266.A O no hydrogen 2.971 N/A LYS 276.A N PHE 390.A O no hydrogen 3.013 N/A LYS 276.A NZ THR 274.A O no hydrogen 2.993 N/A LYS 276.A NZ PHE 391.A O no hydrogen 3.465 N/A LYS 276.A NZ ASP 394.A OD1 no hydrogen 2.607 N/A TRP 281.A N ASP 278.A OD1 no hydrogen 3.109 N/A ILE 282.A N ASP 278.A O no hydrogen 2.876 N/A VAL 283.A N ALA 279.A O no hydrogen 2.964 N/A GLN 284.A N ASP 280.A O no hydrogen 2.884 N/A ASN 285.A N TRP 281.A O no hydrogen 3.052 N/A GLY 286.A N ILE 282.A O no hydrogen 2.790 N/A ARG 287.A N VAL 283.A O no hydrogen 2.793 N/A GLN 288.A N GLN 284.A O no hydrogen 3.153 N/A GLN 288.A NE2 GLU 291.A OE2 no hydrogen 3.135 N/A GLU 290.A N ARG 287.A O no hydrogen 3.259 N/A GLU 291.A N GLN 288.A O no hydrogen 2.947 N/A SER 293.A N TYR 289.A O no hydrogen 3.503 N/A SER 293.A OG THR 296.A OG1 no hydrogen 2.677 N/A GLU 295.A N GLU 295.A OE2 no hydrogen 2.675 N/A THR 296.A N SER 293.A OG no hydrogen 3.007 N/A THR 296.A OG1 TYR 289.A O no hydrogen 2.649 N/A THR 296.A OG1 SER 293.A O no hydrogen 3.153 N/A THR 296.A OG1 SER 293.A OG no hydrogen 2.677 N/A GLY 297.A N SER 293.A O no hydrogen 3.012 N/A GLU 298.A N PRO 294.A O no hydrogen 3.038 N/A PHE 299.A N GLU 295.A O no hydrogen 2.997 N/A PHE 300.A N THR 296.A O no hydrogen 2.916 N/A ARG 301.A N GLY 297.A O no hydrogen 3.087 N/A ARG 301.A NE GLU 304.A OE2 no hydrogen 3.199 N/A TYR 302.A N GLU 298.A O no hydrogen 3.053 N/A TYR 302.A OH LYS 328.A O no hydrogen 3.185 N/A GLU 304.A N ARG 301.A O no hydrogen 3.164 N/A HIS 305.A N TYR 302.A O no hydrogen 3.278 N/A GLU 306.A N VAL 303.A O no hydrogen 3.063 N/A ASP 308.A N ILE 332.A O no hydrogen 2.926 N/A ALA 311.A N PHE 336.A O no hydrogen 3.087 N/A LYS 312.A NZ ASP 308.A OD1 no hydrogen 3.527 N/A LYS 315.A N LYS 312.A O no hydrogen 2.970 N/A LYS 315.A NZ ASP 308.A O no hydrogen 2.916 N/A LYS 315.A NZ ASP 308.A OD1 no hydrogen 2.912 N/A LYS 315.A NZ VAL 310.A O no hydrogen 3.076 N/A LYS 315.A NZ SER 334.A O no hydrogen 2.969 N/A ALA 316.A N THR 61.A O no hydrogen 2.873 N/A TYR 320.A N PHE 333.A O no hydrogen 2.970 N/A TYR 320.A OH THR 61.A OG1 no hydrogen 2.580 N/A CYS 321.A SG PHE 331.A O no hydrogen 3.531 N/A CYS 321.A SG GLU 349.A O no hydrogen 4.046 N/A ILE 324.A N ALA 329.A O no hydrogen 2.895 N/A ASP 326.A N THR 52.A OG1 no hydrogen 2.920 N/A LYS 328.A N ASP 325.A O no hydrogen 2.827 N/A ALA 329.A N ILE 324.A O no hydrogen 3.282 N/A PHE 331.A N THR 322.A O no hydrogen 2.995 N/A ILE 332.A N LEU 307.A O no hydrogen 2.975 N/A PHE 333.A N TYR 320.A O no hydrogen 3.088 N/A SER 334.A N ASP 308.A O no hydrogen 3.151 N/A SER 334.A OG LEU 309.A O no hydrogen 3.199 N/A ASN 335.A ND2 ALA 316.A O no hydrogen 3.104 N/A ASN 335.A ND2 GLY 318.A O no hydrogen 2.706 N/A PHE 336.A N LEU 309.A O no hydrogen 2.727 N/A THR 337.A N ASP 342.A OD1 no hydrogen 2.886 N/A GLY 338.A N ASP 342.A OD1 no hydrogen 3.364 N/A GLY 338.A N ASP 342.A OD2 no hydrogen 2.869 N/A GLY 341.A N THR 339.A OG1 no hydrogen 3.326 N/A ASP 342.A N THR 339.A O no hydrogen 3.098 N/A ILE 343.A N SER 340.A O no hydrogen 3.094 N/A ASP 344.A N SER 340.A O no hydrogen 3.246 N/A VAL 345.A N GLY 341.A O no hydrogen 2.994 N/A LEU 346.A N ASP 342.A O no hydrogen 3.103 N/A THR 347.A N ILE 343.A O no hydrogen 3.013 N/A THR 347.A OG1 ILE 343.A O no hydrogen 3.127 N/A THR 347.A OG1 ASP 344.A O no hydrogen 3.362 N/A HIS 348.A N ASP 344.A O no hydrogen 3.154 N/A HIS 348.A ND1 GLU 381.A OE1 no hydrogen 3.047 N/A GLU 349.A N VAL 345.A O no hydrogen 2.739 N/A ALA 350.A N LEU 346.A O no hydrogen 2.697 N/A GLY 351.A N THR 347.A O no hydrogen 3.270 N/A HIS 352.A N HIS 348.A O no hydrogen 3.376 N/A ALA 353.A N GLU 349.A O no hydrogen 2.919 N/A PHE 354.A N ALA 350.A O no hydrogen 2.763 N/A GLN 355.A N GLY 351.A O no hydrogen 3.105 N/A GLN 355.A NE2 SER 359.A OG no hydrogen 2.892 N/A GLN 355.A NE2 ASN 368.A O no hydrogen 3.117 N/A VAL 356.A N HIS 352.A O no hydrogen 2.981 N/A TYR 357.A N ALA 353.A O no hydrogen 2.904 N/A GLU 358.A N PHE 354.A O no hydrogen 2.963 N/A SER 359.A N VAL 356.A O no hydrogen 3.034 N/A SER 359.A OG GLN 355.A O no hydrogen 2.922 N/A ARG 360.A N TYR 357.A O no hydrogen 3.491 N/A ARG 360.A NE TYR 357.A O no hydrogen 3.070 N/A ARG 360.A NH1 LYS 328.A O no hydrogen 3.340 N/A TYR 362.A N SER 359.A O no hydrogen 3.461 N/A TYR 362.A OH ARG 508.A O no hydrogen 2.541 N/A GLU 366.A N GLU 366.A OE1 no hydrogen 2.815 N/A TYR 367.A N ILE 364.A O no hydrogen 3.381 N/A TYR 367.A OH TRP 107.A O no hydrogen 2.652 N/A ASN 368.A N PRO 365.A O no hydrogen 3.179 N/A ASN 368.A ND2 PRO 365.A O no hydrogen 3.498 N/A THR 371.A OG1 GLU 373.A OE1 no hydrogen 3.518 N/A THR 371.A OG1 GLU 373.A OE2 no hydrogen 2.514 N/A ALA 374.A N GLU 373.A OE2 no hydrogen 2.763 N/A CYS 375.A N THR 371.A O no hydrogen 3.041 N/A CYS 375.A SG PRO 370.A O no hydrogen 3.370 N/A CYS 375.A SG THR 371.A O no hydrogen 3.621 N/A GLU 376.A N LEU 372.A O no hydrogen 2.983 N/A ILE 377.A N ALA 374.A O no hydrogen 2.972 N/A SER 379.A N CYS 375.A O no hydrogen 3.419 N/A SER 379.A OG GLU 376.A O no hydrogen 3.448 N/A SER 379.A OG GLU 376.A OE2 no hydrogen 2.637 N/A SER 380.A OG ILE 377.A O no hydrogen 2.564 N/A PHE 382.A N SER 380.A O no hydrogen 2.825 N/A PHE 383.A N SER 380.A O no hydrogen 3.052 N/A TRP 385.A N PHE 382.A O no hydrogen 2.912 N/A TRP 385.A NE1 HIS 402.A ND1 no hydrogen 3.041 N/A TRP 387.A N THR 384.A O no hydrogen 3.008 N/A TRP 387.A NE1 GLU 291.A OE1 no hydrogen 2.806 N/A LEU 389.A N TRP 387.A O no hydrogen 3.166 N/A GLY 392.A N GLU 388.A O no hydrogen 3.070 N/A ASP 394.A N PHE 391.A O no hydrogen 3.168 N/A ALA 395.A N GLY 392.A O no hydrogen 3.116 N/A LYS 397.A NZ THR 270.A OG1 no hydrogen 2.807 N/A LYS 397.A NZ GLY 271.A O no hydrogen 3.186 N/A TYR 398.A N ASP 394.A O no hydrogen 2.899 N/A ARG 399.A N ALA 395.A O no hydrogen 2.983 N/A ARG 399.A NE TRP 385.A O no hydrogen 3.074 N/A ARG 399.A NH2 TRP 385.A O no hydrogen 3.463 N/A ARG 399.A NH2 GLU 388.A OE1 no hydrogen 2.936 N/A PHE 400.A N ASP 396.A O no hydrogen 3.081 N/A ALA 401.A N LYS 397.A O no hydrogen 2.918 N/A HIS 402.A N TYR 398.A O no hydrogen 2.741 N/A HIS 402.A NE2 GLU 381.A OE2 no hydrogen 2.835 N/A LEU 403.A N ARG 399.A O no hydrogen 3.060 N/A SER 404.A N PHE 400.A O no hydrogen 3.030 N/A SER 404.A OG PHE 400.A O no hydrogen 3.157 N/A ASP 405.A N ALA 401.A O no hydrogen 2.852 N/A ALA 406.A N HIS 402.A O no hydrogen 2.987 N/A LEU 407.A N LEU 403.A O no hydrogen 3.377 N/A LEU 408.A N SER 404.A O no hydrogen 2.941 N/A PHE 409.A N ASP 405.A O no hydrogen 2.934 N/A LEU 410.A N LEU 407.A O no hydrogen 2.868 N/A GLY 413.A N PHE 409.A O no hydrogen 3.001 N/A VAL 414.A N LEU 410.A O no hydrogen 3.101 N/A ALA 415.A N PRO 411.A O no hydrogen 3.015 N/A VAL 416.A N TYR 412.A O no hydrogen 2.851 N/A ASP 417.A N GLY 413.A O no hydrogen 3.006 N/A GLU 418.A N VAL 414.A O no hydrogen 3.022 N/A PHE 419.A N ALA 415.A O no hydrogen 2.853 N/A GLN 420.A N VAL 416.A O no hydrogen 3.139 N/A GLN 420.A NE2 PRO 472.A O no hydrogen 2.958 N/A HIS 421.A N ASP 417.A O no hydrogen 3.122 N/A ALA 422.A N GLU 418.A O no hydrogen 2.952 N/A VAL 423.A N PHE 419.A O no hydrogen 2.857 N/A TYR 424.A N GLN 420.A O no hydrogen 2.958 N/A GLU 425.A N HIS 421.A O no hydrogen 3.115 N/A ASN 426.A N ALA 422.A O no hydrogen 3.267 N/A ASN 426.A N VAL 423.A O no hydrogen 3.338 N/A ASN 426.A ND2 ALA 422.A O no hydrogen 3.127 N/A THR 429.A N GLU 432.A OE1 no hydrogen 3.305 N/A GLU 432.A N THR 429.A OG1 no hydrogen 3.326 N/A ARG 433.A N THR 429.A O no hydrogen 3.078 N/A ARG 433.A NH1 ASP 194.A OD1 no hydrogen 2.988 N/A ARG 433.A NH2 ASP 194.A OD1 no hydrogen 2.917 N/A ARG 433.A NH2 PRO 427.A O no hydrogen 3.548 N/A LYS 434.A N PRO 430.A O no hydrogen 3.192 N/A LYS 434.A NZ GLU 186.A OE1 no hydrogen 2.628 N/A LYS 434.A NZ ASP 190.A OD1 no hydrogen 3.134 N/A LYS 434.A NZ ASP 190.A OD2 no hydrogen 2.792 N/A SER 435.A N ALA 431.A O no hydrogen 3.282 N/A VAL 436.A N GLU 432.A O no hydrogen 3.015 N/A TRP 437.A N ARG 433.A O no hydrogen 2.922 N/A TRP 437.A NE1 GLU 441.A OE2 no hydrogen 2.801 N/A ARG 438.A N LYS 434.A O no hydrogen 2.909 N/A ARG 438.A NE GLU 457.A O no hydrogen 3.270 N/A ARG 438.A NE GLU 457.A OE2 no hydrogen 3.266 N/A ARG 438.A NH2 GLU 457.A OE1 no hydrogen 2.678 N/A ARG 438.A NH2 GLU 457.A OE2 no hydrogen 3.214 N/A ASN 439.A N SER 435.A O no hydrogen 2.839 N/A ILE 440.A N VAL 436.A O no hydrogen 3.084 N/A GLU 441.A N TRP 437.A O no hydrogen 2.788 N/A LYS 442.A N ARG 438.A O no hydrogen 2.914 N/A ALA 443.A N ASN 439.A O no hydrogen 3.020 N/A ALA 443.A N ILE 440.A O no hydrogen 3.020 N/A TYR 444.A N ILE 440.A O no hydrogen 2.979 N/A TYR 444.A OH GLU 418.A OE1 no hydrogen 2.536 N/A LEU 445.A N GLU 441.A O no hydrogen 2.729 N/A ARG 448.A N LEU 445.A O no hydrogen 3.070 N/A TYR 450.A OH GLU 441.A OE2 no hydrogen 2.697 N/A ALA 451.A N ASP 449.A OD2 no hydrogen 3.463 N/A HIS 453.A N TYR 450.A O no hydrogen 2.845 N/A TYR 455.A OH GLN 463.A OE1 no hydrogen 2.833 N/A LEU 456.A N HIS 453.A ND1 no hydrogen 3.200 N/A GLU 457.A N HIS 453.A O no hydrogen 2.855 N/A ARG 458.A N ASP 454.A O no hydrogen 2.909 N/A ARG 458.A NE ASP 454.A OD2 no hydrogen 3.235 N/A ARG 458.A NH1 GLU 186.A OE1 no hydrogen 3.067 N/A ARG 458.A NH2 GLU 186.A OE1 no hydrogen 3.288 N/A ARG 458.A NH2 GLU 186.A OE2 no hydrogen 3.161 N/A GLY 459.A N LEU 456.A O no hydrogen 2.966 N/A GLY 460.A N TYR 455.A O no hydrogen 3.115 N/A GLN 463.A N GLY 460.A O no hydrogen 3.162 N/A GLN 463.A NE2 ASP 190.A OD1 no hydrogen 3.043 N/A ARG 464.A N PHE 461.A O no hydrogen 3.283 N/A GLN 465.A N TRP 462.A O no hydrogen 2.963 N/A GLN 465.A NE2 TYR 412.A OH no hydrogen 2.678 N/A ILE 468.A N GLN 465.A O no hydrogen 3.276 N/A TYR 469.A N GLY 466.A O no hydrogen 2.909 N/A TYR 469.A OH LEU 189.A O no hydrogen 3.093 N/A THR 470.A N GLY 466.A O no hydrogen 2.845 N/A THR 470.A OG1 GLY 466.A O no hydrogen 3.094 N/A THR 470.A OG1 ASP 471.A OD2 no hydrogen 3.052 N/A ASP 471.A N HIS 467.A O no hydrogen 2.757 N/A TYR 474.A N ASP 471.A O no hydrogen 3.082 N/A TYR 474.A OH GLU 376.A OE1 no hydrogen 2.763 N/A TYR 475.A N ASP 477.A OD1 no hydrogen 3.113 N/A TYR 478.A N TYR 475.A O no hydrogen 2.995 N/A THR 479.A OG1 ILE 476.A O no hydrogen 2.552 N/A LEU 480.A N ILE 476.A O no hydrogen 2.984 N/A ALA 481.A N ASP 477.A O no hydrogen 2.952 N/A GLN 482.A N TYR 478.A O no hydrogen 2.909 N/A GLN 482.A NE2 ALA 406.A O no hydrogen 3.538 N/A CYS 484.A N ALA 481.A O no hydrogen 2.719 N/A CYS 484.A SG LEU 480.A O no hydrogen 3.766 N/A ALA 485.A N ALA 481.A O no hydrogen 2.837 N/A PHE 486.A N GLN 482.A O no hydrogen 2.950 N/A GLN 487.A NE2 VAL 483.A O no hydrogen 3.169 N/A GLN 487.A NE2 GLN 525.A O no hydrogen 2.947 N/A PHE 488.A N CYS 484.A O no hydrogen 2.968 N/A TRP 489.A N ALA 485.A O no hydrogen 2.797 N/A LYS 490.A N PHE 486.A O no hydrogen 3.102 N/A ARG 491.A N GLN 487.A O no hydrogen 3.041 N/A ARG 491.A NH1 ALA 522.A O no hydrogen 3.022 N/A ARG 491.A NH2 ALA 522.A O no hydrogen 2.637 N/A ALA 492.A N PHE 488.A O no hydrogen 2.892 N/A GLN 493.A N TRP 489.A O no hydrogen 3.360 N/A GLN 493.A NE2 TRP 489.A O no hydrogen 3.536 N/A GLU 494.A N LYS 490.A O no hydrogen 3.251 N/A ASP 495.A N ARG 491.A O no hydrogen 2.823 N/A ARG 496.A NH2 PHE 383.A O no hydrogen 3.492 N/A SER 498.A N ASP 495.A OD1 no hydrogen 3.052 N/A ALA 499.A N ASP 495.A O no hydrogen 2.875 N/A TRP 500.A N ARG 496.A O no hydrogen 2.852 N/A TRP 500.A NE1 GLU 295.A OE1 no hydrogen 3.228 N/A ARG 501.A N ALA 497.A O no hydrogen 3.108 N/A ASP 502.A N SER 498.A O no hydrogen 3.335 N/A TYR 503.A N ALA 499.A O no hydrogen 3.090 N/A TYR 503.A OH HIS 378.A O no hydrogen 2.730 N/A VAL 504.A N TRP 500.A O no hydrogen 2.943 N/A ALA 505.A N ARG 501.A O no hydrogen 2.966 N/A LEU 506.A N ASP 502.A O no hydrogen 2.816 N/A CYS 507.A N TYR 503.A O no hydrogen 3.081 N/A CYS 507.A SG TYR 503.A O no hydrogen 3.343 N/A ARG 508.A N VAL 504.A O no hydrogen 3.018 N/A ARG 508.A NE GLU 358.A OE2 no hydrogen 2.813 N/A ARG 508.A NH2 GLU 358.A OE2 no hydrogen 3.155 N/A LEU 509.A N LEU 506.A O no hydrogen 3.088 N/A GLY 510.A N CYS 507.A O no hydrogen 2.990 N/A GLY 511.A N TYR 367.A O no hydrogen 2.829 N/A SER 512.A N LEU 509.A O no hydrogen 3.127 N/A SER 512.A OG LEU 509.A O no hydrogen 2.742 N/A THR 516.A N ASP 224.A OD2 no hydrogen 2.926 N/A THR 516.A OG1 ASP 224.A OD1 no hydrogen 3.129 N/A THR 516.A OG1 ASP 224.A OD2 no hydrogen 3.021 N/A LEU 518.A N PRO 514.A O no hydrogen 2.919 N/A VAL 519.A N PHE 515.A O no hydrogen 2.896 N/A LYS 520.A N THR 516.A O no hydrogen 2.991 N/A SER 521.A N GLU 517.A O no hydrogen 2.908 N/A SER 521.A OG LEU 518.A O no hydrogen 2.835 N/A ALA 522.A N LEU 518.A O no hydrogen 3.198 N/A ASN 523.A N LYS 520.A O no hydrogen 3.020 N/A LEU 524.A N VAL 519.A O no hydrogen 3.077 N/A GLN 525.A N GLN 487.A OE1 no hydrogen 2.755 N/A PHE 528.A N SER 526.A OG no hydrogen 3.066 N/A ALA 529.A N SER 526.A O no hydrogen 3.028 N/A ALA 532.A N ALA 529.A O no hydrogen 3.102 N/A VAL 533.A N GLN 235.A OE1 no hydrogen 3.111 N/A SER 535.A N GLY 531.A O no hydrogen 3.171 N/A VAL 536.A N ALA 532.A O no hydrogen 3.051 N/A VAL 537.A N VAL 533.A O no hydrogen 3.032 N/A GLY 538.A N ALA 534.A O no hydrogen 3.104 N/A GLU 541.A N VAL 537.A O no hydrogen 2.911 N/A ARG 542.A N GLY 538.A O no hydrogen 3.091 N/A TRP 543.A N HIS 539.A O no hydrogen 2.916 N/A LEU 544.A N ILE 540.A O no hydrogen 2.980 N/A ASP 545.A N GLU 541.A O no hydrogen 2.878 N/A SER 546.A N ARG 542.A O no hydrogen 3.152 N/A SER 546.A N TRP 543.A O no hydrogen 3.191 N/A SER 546.A OG TRP 543.A O no hydrogen 2.700 N/A VAL 547.A N LEU 544.A O no hydrogen 3.211 N/A LYS 550.A NZ GLN 253.A OE1 no hydrogen 3.276 N/A ALA 551.A N ASP 548.A O no hydrogen 3.091 N/A LEU 552.A N ASP 548.A O no hydrogen 3.388 N/A