Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3sqg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PRO 1.A N GLN 400.A OE1 no hydrogen 2.757 N/A TYR 2.A N ASP 356.A OD2 no hydrogen 2.748 N/A GLN 6.A N ASP 4.A OD2 no hydrogen 3.030 N/A HIS 7.A N ASP 4.A O no hydrogen 2.838 N/A HIS 7.A ND1 GLU 355.A OE2 no hydrogen 2.591 N/A ASN 8.A N ASP 4.A O no hydrogen 2.934 N/A ASN 8.A ND2 TYR 2.A O no hydrogen 2.839 N/A LEU 10.A N ASN 8.A OD1 no hydrogen 2.819 N/A MET 13.A N PHE 9.A O no hydrogen 3.019 N/A SER 14.A N LEU 10.A O no hydrogen 2.921 N/A SER 14.A OG LEU 10.A O no hydrogen 2.518 N/A ASP 15.A N LYS 11.A O no hydrogen 2.984 N/A LYS 16.A N ALA 12.A O no hydrogen 2.879 N/A LYS 16.A NZ PRO 78.A O no hydrogen 2.776 N/A LYS 16.A NZ ASP 351.A OD1 no hydrogen 2.945 N/A PHE 17.A N MET 13.A O no hydrogen 3.133 N/A GLU 19.A N GLU 19.A OE1 no hydrogen 2.791 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.611 N/A SER 23.A N LYS 20.A O no hydrogen 2.953 N/A SER 23.A OG LYS 20.A O no hydrogen 2.607 N/A THR 26.A OG1 GLU 19.A OE2 no hydrogen 2.833 N/A GLU 27.A N THR 26.A OG1 no hydrogen 2.685 N/A TYR 29.A N GLN 73.A O no hydrogen 2.803 N/A THR 30.A OG1 GLU 27.A OE1 no hydrogen 3.102 N/A TYR 31.A OH GLU 27.A O no hydrogen 2.873 N/A ALA 35.A N GLY 32.A O no hydrogen 3.035 N/A GLN 36.A NE2 GLY 33.A O no hydrogen 2.858 N/A GLN 36.A NE2 ARG 74.A O no hydrogen 3.236 N/A GLY 39.A N GLN 36.A O no hydrogen 2.748 N/A MET 40.A N LYS 37.A O no hydrogen 3.028 N/A ARG 41.A NE ASP 92.A OD1 no hydrogen 2.838 N/A ARG 41.A NE ASP 92.A OD2 no hydrogen 3.276 N/A ARG 41.A NH1 ASP 92.A OD2 no hydrogen 3.100 N/A ARG 41.A NH2 GLU 44.A OE1 no hydrogen 2.975 N/A LYS 42.A NZ ASP 91.A OD2 no hydrogen 2.696 N/A ARG 43.A N GLY 39.A O no hydrogen 2.966 N/A ARG 43.A NE ILE 34.A O no hydrogen 2.761 N/A ARG 43.A NH2 ILE 34.A O no hydrogen 3.415 N/A ARG 43.A NH2 ALA 35.A O no hydrogen 3.199 N/A ARG 43.A NH2 GLN 36.A O no hydrogen 3.055 N/A GLU 44.A N MET 40.A O no hydrogen 2.999 N/A PHE 45.A N ARG 41.A O no hydrogen 2.665 N/A ILE 46.A N LYS 42.A O no hydrogen 2.959 N/A ALA 47.A N ARG 43.A O no hydrogen 3.130 N/A GLU 48.A N GLU 44.A O no hydrogen 3.183 N/A ALA 49.A N PHE 45.A O no hydrogen 2.998 N/A ILE 52.A N GLU 48.A O no hydrogen 3.269 N/A VAL 53.A N ALA 49.A O no hydrogen 2.943 N/A ASP 54.A N SER 50.A O no hydrogen 2.999 N/A SER 55.A N LYS 51.A O no hydrogen 3.122 N/A SER 55.A N ILE 52.A O no hydrogen 2.969 N/A SER 55.A OG ILE 52.A O no hydrogen 2.669 N/A ARG 56.A N VAL 53.A O no hydrogen 3.110 N/A ARG 56.A NH2 THR 60.A O no hydrogen 2.919 N/A SER 59.A N ARG 56.A O no hydrogen 3.091 N/A ASP 66.A N ASN 64.A OD1 no hydrogen 3.150 N/A ALA 67.A N ASN 64.A O no hydrogen 2.805 N/A GLY 68.A N PRO 65.A O no hydrogen 2.794 N/A ARG 74.A NE TYR 75.A O no hydrogen 2.697 N/A ARG 74.A NH1 TYR 75.A O no hydrogen 3.032 N/A TYR 75.A OH LYS 16.A O no hydrogen 2.684 N/A LEU 76.A N GLN 36.A OE1 no hydrogen 2.811 N/A TYR 79.A N VAL 88.A O no hydrogen 3.144 N/A TYR 79.A OH GLN 343.A OE1 no hydrogen 2.641 N/A MET 80.A N ASP 351.A OD2 no hydrogen 3.026 N/A MET 81.A N ILE 86.A O no hydrogen 2.868 N/A ASN 82.A N TYR 349.A O no hydrogen 2.924 N/A HIS 83.A N ASN 352.A OD1 no hydrogen 2.844 N/A THR 84.A N MET 81.A O no hydrogen 3.147 N/A THR 84.A OG1 MET 81.A O no hydrogen 2.967 N/A ILE 86.A N THR 84.A OG1 no hydrogen 2.844 N/A VAL 88.A N TYR 79.A O no hydrogen 2.844 N/A ASN 89.A ND2 ASP 92.A OD2 no hydrogen 2.927 N/A ASP 92.A N ASN 89.A O no hydrogen 2.927 N/A LEU 93.A N ALA 90.A O no hydrogen 3.118 N/A HIS 94.A N ASP 91.A O no hydrogen 3.383 N/A TRP 95.A NE1 THR 333.A OG1 no hydrogen 2.946 N/A ILE 96.A N HIS 94.A ND1 no hydrogen 2.945 N/A ASN 97.A N HIS 94.A O no hydrogen 2.877 N/A ASN 97.A ND2 ASP 91.A O no hydrogen 2.795 N/A ASN 98.A N TRP 95.A O no hydrogen 3.231 N/A ASN 98.A ND2 ASP 92.A O no hydrogen 3.152 N/A ASN 98.A ND2 TYR 543.A O no hydrogen 3.067 N/A MET 101.A N ASN 98.A OD1 no hydrogen 3.062 N/A GLN 102.A N ASN 98.A O no hydrogen 3.355 N/A GLN 102.A NE2 TRP 95.A O no hydrogen 3.049 N/A GLN 103.A N ALA 99.A O no hydrogen 2.957 N/A GLN 103.A NE2 ASP 107.A OD1 no hydrogen 2.807 N/A GLN 103.A NE2 THR 225.A OG1 no hydrogen 3.083 N/A ALA 104.A N ALA 100.A O no hydrogen 2.972 N/A TRP 105.A N MET 101.A O no hydrogen 3.443 N/A TRP 105.A NE1 TYR 334.A OH no hydrogen 3.072 N/A ASP 106.A N GLN 102.A O no hydrogen 2.991 N/A ASP 107.A N GLN 103.A O no hydrogen 2.838 N/A LYS 109.A N TRP 105.A O no hydrogen 2.915 N/A LYS 109.A NZ TYR 334.A OH no hydrogen 3.166 N/A ARG 110.A N ASP 106.A O no hydrogen 2.978 N/A ARG 110.A NE ASP 107.A OD1 no hydrogen 2.895 N/A ARG 110.A NH1 ASP 107.A OD1 no hydrogen 2.847 N/A ARG 110.A NH2 ASP 167.A O no hydrogen 2.849 N/A ARG 110.A NH2 MET 223.A O no hydrogen 2.969 N/A GLY 111.A N MET 108.A O no hydrogen 3.355 N/A ILE 112.A N LEU 221.A O no hydrogen 3.054 N/A VAL 113.A N VAL 273.A O no hydrogen 3.101 N/A LEU 114.A N GLN 219.A O no hydrogen 2.846 N/A GLY 115.A N ALA 271.A O no hydrogen 3.153 N/A LEU 116.A N ILE 217.A O no hydrogen 2.918 N/A HIS 120.A N LEU 116.A O no hydrogen 3.180 N/A GLY 121.A N ASP 117.A O no hydrogen 2.890 N/A LEU 122.A N ASP 118.A O no hydrogen 2.880 N/A LEU 123.A N ALA 119.A O no hydrogen 2.900 N/A GLU 124.A N HIS 120.A O no hydrogen 2.945 N/A ALA 125.A N GLY 121.A O no hydrogen 2.856 N/A ARG 126.A N LEU 122.A O no hydrogen 3.046 N/A ARG 126.A NH1 SER 259.A OG no hydrogen 3.004 N/A ARG 126.A NH1 GLU 263.A OE1 no hydrogen 2.859 N/A ARG 126.A NH2 SER 259.A OG no hydrogen 3.141 N/A LEU 127.A N LEU 123.A O no hydrogen 3.180 N/A GLY 128.A N GLU 124.A O no hydrogen 2.870 N/A LYS 129.A N LEU 123.A O no hydrogen 3.183 N/A THR 132.A N THR 135.A OG1 no hydrogen 3.025 N/A THR 135.A N THR 132.A OG1 no hydrogen 3.134 N/A THR 135.A OG1 THR 132.A O no hydrogen 3.107 N/A THR 135.A OG1 TYR 252.A OH no hydrogen 3.015 N/A ILE 136.A N THR 132.A O no hydrogen 2.946 N/A SER 137.A N PRO 133.A O no hydrogen 2.849 N/A SER 137.A OG PRO 133.A O no hydrogen 3.128 N/A ASN 138.A N ASP 134.A O no hydrogen 2.913 N/A TYR 139.A N THR 135.A O no hydrogen 2.883 N/A TYR 139.A OH GLN 219.A OE1 no hydrogen 2.931 N/A MET 140.A N ILE 136.A O no hydrogen 2.967 N/A GLU 141.A N SER 137.A O no hydrogen 3.157 N/A VAL 142.A N ASN 138.A O no hydrogen 3.001 N/A LEU 143.A N TYR 139.A O no hydrogen 2.896 N/A ASN 144.A N MET 140.A O no hydrogen 3.095 N/A ASN 144.A ND2 MET 140.A O no hydrogen 2.946 N/A ASN 144.A ND2 ALA 170.A O no hydrogen 3.015 N/A HIS 145.A N VAL 142.A O no hydrogen 3.074 N/A HIS 145.A NE2 ALA 151.A O no hydrogen 2.804 N/A ALA 146.A N VAL 142.A O no hydrogen 2.867 N/A LEU 147.A N LEU 143.A O no hydrogen 2.768 N/A GLY 149.A N ALA 146.A O no hydrogen 2.931 N/A GLY 150.A N ALA 146.A O no hydrogen 3.290 N/A ALA 151.A N GLU 159.A OE2 no hydrogen 2.718 N/A HIS 156.A N GLU 155.A OE2 no hydrogen 2.810 N/A THR 160.A N GLY 149.A O no hydrogen 3.192 N/A THR 160.A OG1 PRO 148.A O no hydrogen 2.669 N/A THR 160.A OG1 GLY 149.A O no hydrogen 3.491 N/A LEU 164.A N LYS 161.A O no hydrogen 2.782 N/A VAL 165.A N PRO 162.A O no hydrogen 2.991 N/A ASP 167.A N ASP 167.A OD1 no hydrogen 2.646 N/A SER 168.A N VAL 165.A O no hydrogen 3.113 N/A SER 168.A OG TRP 222.A O no hydrogen 2.691 N/A TYR 169.A OH ASP 529.A OD1 no hydrogen 2.599 N/A ALA 170.A N ASN 144.A OD1 no hydrogen 2.787 N/A LYS 171.A N ILE 220.A O no hydrogen 2.998 N/A LYS 171.A NZ ASP 529.A OD2 no hydrogen 2.785 N/A LYS 171.A NZ ASP 531.A OD2 no hydrogen 2.629 N/A ILE 172.A N PHE 187.A O no hydrogen 2.739 N/A PHE 173.A N TRP 218.A O no hydrogen 2.806 N/A SER 174.A OG LYS 216.A O no hydrogen 2.656 N/A ASP 176.A N SER 174.A OG no hydrogen 2.960 N/A LEU 179.A N ASP 176.A OD2 no hydrogen 3.027 N/A VAL 180.A N ASP 176.A O no hydrogen 3.038 N/A ASP 181.A N ASP 177.A O no hydrogen 2.905 N/A SER 182.A N ASP 178.A O no hydrogen 3.177 N/A SER 182.A N LEU 179.A O no hydrogen 3.012 N/A SER 182.A OG ASP 178.A O no hydrogen 2.918 N/A VAL 183.A N LEU 179.A O no hydrogen 3.055 N/A ASP 184.A N SER 137.A OG no hydrogen 2.821 N/A ARG 186.A N ASP 184.A OD2 no hydrogen 2.914 N/A ARG 186.A NE ASP 184.A OD1 no hydrogen 3.035 N/A ARG 186.A NE ASP 184.A OD2 no hydrogen 3.065 N/A ARG 186.A NH2 GLU 141.A OE2 no hydrogen 3.302 N/A ARG 186.A NH2 ASP 184.A OD1 no hydrogen 2.687 N/A PHE 187.A N ASP 184.A O no hydrogen 3.120 N/A ILE 188.A N ARG 185.A O no hydrogen 3.361 N/A LEU 189.A N ILE 172.A O no hydrogen 2.761 N/A ASN 192.A ND2 ASP 177.A OD1 no hydrogen 2.906 N/A LYS 193.A N ASP 190.A O no hydrogen 3.166 N/A LYS 193.A N ASP 190.A OD1 no hydrogen 3.034 N/A GLU 194.A N ASP 190.A O no hydrogen 2.915 N/A PHE 195.A N ILE 191.A O no hydrogen 2.873 N/A TYR 199.A N GLU 204.A OE1 no hydrogen 2.607 N/A ASP 200.A N GLU 204.A OE1 no hydrogen 2.875 N/A LYS 201.A NZ ASP 207.A OD2 no hydrogen 2.932 N/A GLY 203.A N ALA 196.A O no hydrogen 2.792 N/A GLN 205.A N ALA 197.A O no hydrogen 3.066 N/A GLN 205.A NE2 TYR 199.A OH no hydrogen 3.201 N/A GLN 205.A NE2 PRO 305.A O no hydrogen 2.862 N/A ALA 206.A N PHE 195.A O no hydrogen 3.011 N/A ASP 207.A N GLY 203.A O no hydrogen 2.865 N/A GLN 208.A N GLU 204.A O no hydrogen 2.928 N/A GLN 208.A NE2 HIS 514.A O no hydrogen 3.007 N/A LEU 209.A N GLN 205.A O no hydrogen 2.975 N/A LYS 210.A N ALA 206.A O no hydrogen 2.806 N/A LYS 210.A NZ ASP 177.A OD1 no hydrogen 3.180 N/A LYS 210.A NZ ASP 177.A OD2 no hydrogen 2.634 N/A LYS 210.A NZ ASN 192.A OD1 no hydrogen 2.739 N/A ASP 211.A N ASP 207.A O no hydrogen 2.915 N/A ALA 212.A N GLN 208.A O no hydrogen 2.979 N/A ILE 213.A N LEU 209.A O no hydrogen 2.745 N/A GLY 214.A N LYS 210.A O no hydrogen 2.693 N/A ILE 217.A N ASP 117.A OD2 no hydrogen 2.613 N/A TRP 218.A N PHE 173.A O no hydrogen 2.818 N/A GLN 219.A N LEU 114.A O no hydrogen 2.774 N/A GLN 219.A NE2 LEU 114.A O no hydrogen 3.166 N/A GLN 219.A NE2 GLY 115.A O no hydrogen 3.698 N/A ILE 220.A N LYS 171.A O no hydrogen 2.998 N/A LEU 221.A N ILE 112.A O no hydrogen 2.916 N/A TRP 222.A N TYR 169.A O no hydrogen 3.034 N/A TRP 222.A NE1 ASP 529.A OD1 no hydrogen 2.970 N/A MET 223.A N ARG 110.A O no hydrogen 2.833 N/A THR 225.A N ASP 167.A OD2 no hydrogen 2.776 N/A THR 225.A OG1 ASP 167.A OD2 no hydrogen 2.594 N/A VAL 227.A N PRO 224.A O no hydrogen 2.915 N/A ALA 228.A N PRO 224.A O no hydrogen 3.414 N/A ARG 229.A N THR 225.A O no hydrogen 3.000 N/A ARG 229.A NH1 GLN 102.A OE1 no hydrogen 2.789 N/A ARG 229.A NH2 ASP 106.A OD2 no hydrogen 2.858 N/A GLN 230.A N VAL 226.A O no hydrogen 2.842 N/A GLN 230.A NE2 GLN 230.A O no hydrogen 2.907 N/A THR 231.A N VAL 227.A O no hydrogen 3.010 N/A THR 231.A OG1 VAL 227.A O no hydrogen 2.715 N/A THR 231.A OG1 THR 235.A OG1 no hydrogen 2.809 N/A GLY 233.A N GLU 289.A OE2 no hydrogen 2.949 N/A GLY 234.A N ASP 232.A OD1 no hydrogen 2.805 N/A THR 235.A N ASP 232.A O no hydrogen 3.436 N/A THR 235.A OG1 THR 231.A OG1 no hydrogen 2.809 N/A MET 236.A N GLY 233.A O no hydrogen 3.191 N/A ARG 238.A NH2 GLY 234.A O no hydrogen 2.885 N/A TRP 239.A N THR 235.A O no hydrogen 2.815 N/A TRP 239.A NE1 LEU 147.A O no hydrogen 2.623 N/A VAL 240.A N MET 236.A O no hydrogen 3.094 N/A GLY 241.A N PHE 237.A O no hydrogen 3.045 N/A MET 242.A N ARG 238.A O no hydrogen 2.957 N/A GLN 243.A N TRP 239.A O no hydrogen 3.133 N/A GLN 243.A NE2 ALA 146.A O no hydrogen 2.852 N/A VAL 244.A N VAL 240.A O no hydrogen 2.882 N/A GLY 245.A N GLY 241.A O no hydrogen 2.945 N/A MET 246.A N MET 242.A O no hydrogen 3.002 N/A THR 247.A N GLN 243.A O no hydrogen 2.960 N/A THR 247.A OG1 GLN 243.A O no hydrogen 2.765 N/A MET 248.A N VAL 244.A O no hydrogen 2.902 N/A ILE 249.A N GLY 245.A O no hydrogen 3.280 N/A ASN 250.A N MET 246.A O no hydrogen 3.171 N/A ASN 250.A ND2 VAL 152.A O no hydrogen 3.194 N/A ALA 251.A N THR 247.A O no hydrogen 2.806 N/A TYR 252.A N MET 248.A O no hydrogen 3.030 N/A TYR 252.A OH THR 135.A OG1 no hydrogen 3.015 N/A LYS 253.A N ASN 250.A O no hydrogen 3.268 N/A LEU 254.A N ILE 249.A O no hydrogen 3.204 N/A CYS 255.A N GLU 258.A OE1 no hydrogen 3.022 N/A GLU 258.A N THR 261.A OG1 no hydrogen 2.991 N/A GLY 262.A N GLU 258.A O no hydrogen 3.335 N/A GLU 263.A N SER 259.A O no hydrogen 3.203 N/A PHE 264.A N VAL 260.A O no hydrogen 2.941 N/A ALA 265.A N THR 261.A O no hydrogen 3.045 N/A TYR 266.A N GLY 262.A O no hydrogen 3.342 N/A TYR 267.A N GLU 263.A O no hydrogen 2.927 N/A TYR 267.A OH GLY 115.A O no hydrogen 2.566 N/A ALA 268.A N PHE 264.A O no hydrogen 2.913 N/A LYS 269.A N ALA 265.A O no hydrogen 2.880 N/A ALA 271.A N TYR 267.A O no hydrogen 3.012 N/A VAL 273.A N VAL 113.A O no hydrogen 2.717 N/A GLN 274.A NE2 ASN 288.A OD1 no hydrogen 3.490 N/A LEU 275.A N ASN 288.A OD1 no hydrogen 2.844 N/A SER 276.A OG GLU 289.A O no hydrogen 2.707 N/A ASN 277.A ND2 HIS 287.A ND1 no hydrogen 3.229 N/A ARG 283.A N PRO 280.A O no hydrogen 3.103 N/A ARG 283.A NE ASN 489.A OD1 no hydrogen 3.072 N/A ARG 283.A NH2 ASN 489.A OD1 no hydrogen 2.889 N/A ALA 284.A N VAL 281.A O no hydrogen 3.018 N/A ARG 285.A NH1 TYR 334.A O no hydrogen 2.743 N/A ARG 285.A NH2 TYR 334.A O no hydrogen 3.002 N/A SER 286.A OG HIS 287.A O no hydrogen 3.128 N/A ASN 288.A N SER 276.A O no hydrogen 3.035 N/A ASN 288.A ND2 LYS 109.A O no hydrogen 3.011 N/A ASN 288.A ND2 GLY 111.A O no hydrogen 2.876 N/A GLY 292.A N GLU 289.A O no hydrogen 3.465 N/A MET 293.A N PRO 290.A O no hydrogen 3.090 N/A LEU 295.A N ARG 486.A O no hydrogen 2.860 N/A GLY 296.A N GLU 484.A O no hydrogen 3.160 N/A ILE 297.A N PRO 294.A O no hydrogen 3.163 N/A ASN 298.A N PRO 294.A O no hydrogen 3.300 N/A ASN 298.A ND2 SER 319.A O no hydrogen 3.122 N/A ASN 298.A ND2 SER 319.A OG no hydrogen 3.204 N/A ALA 299.A N LEU 295.A O no hydrogen 3.029 N/A ASP 300.A N GLY 296.A O no hydrogen 2.808 N/A SER 301.A N ILE 297.A O no hydrogen 2.986 N/A SER 301.A N ASN 298.A O no hydrogen 3.206 N/A SER 301.A OG ASN 298.A O no hydrogen 2.741 N/A THR 302.A N ALA 299.A O no hydrogen 3.028 N/A THR 302.A OG1 ALA 299.A O no hydrogen 2.845 N/A ARG 303.A N ARG 536.A O no hydrogen 3.067 N/A ARG 303.A NE PHE 527.A O no hydrogen 2.825 N/A ARG 303.A NH2 PHE 527.A O no hydrogen 2.921 N/A ALA 306.A N ARG 303.A O no hydrogen 2.896 N/A LEU 307.A N ARG 303.A O no hydrogen 2.992 N/A PHE 308.A N SER 304.A O no hydrogen 2.654 N/A ASP 311.A N PHE 308.A O no hydrogen 3.094 N/A ARG 314.A N ASP 311.A OD1 no hydrogen 3.057 N/A ARG 314.A NH1 GLY 537.A O no hydrogen 2.929 N/A ARG 314.A NH2 SER 304.A OG no hydrogen 2.921 N/A ARG 314.A NH2 GLY 537.A O no hydrogen 3.216 N/A ALA 315.A N ASP 311.A O no hydrogen 3.236 N/A GLU 316.A N PRO 312.A O no hydrogen 2.913 N/A LEU 317.A N ILE 313.A O no hydrogen 2.849 N/A GLU 318.A N ARG 314.A O no hydrogen 2.865 N/A SER 319.A N ALA 315.A O no hydrogen 3.079 N/A SER 319.A OG ALA 503.A O no hydrogen 2.938 N/A ILE 320.A N GLU 316.A O no hydrogen 2.769 N/A ALA 321.A N LEU 317.A O no hydrogen 3.018 N/A VAL 322.A N GLU 318.A O no hydrogen 3.215 N/A ALA 323.A N SER 319.A O no hydrogen 2.846 N/A ALA 324.A N ILE 320.A O no hydrogen 2.742 N/A MET 325.A N ALA 321.A O no hydrogen 3.436 N/A VAL 326.A N VAL 322.A O no hydrogen 2.908 N/A TYR 327.A N ALA 323.A O no hydrogen 2.772 N/A TYR 327.A OH MET 293.A O no hydrogen 2.671 N/A ASP 328.A N ALA 324.A O no hydrogen 3.006 N/A GLN 329.A N ALA 324.A O no hydrogen 3.117 N/A GLN 329.A NE2 LEU 93.A O no hydrogen 2.953 N/A LEU 330.A N MET 325.A O no hydrogen 2.943 N/A THR 333.A OG1 GLN 329.A O no hydrogen 2.968 N/A TYR 334.A N LEU 330.A O no hydrogen 2.867 N/A TYR 334.A OH GLU 289.A OE1 no hydrogen 2.724 N/A SER 336.A N THR 333.A O no hydrogen 3.024 N/A SER 336.A OG PHE 331.A O no hydrogen 2.586 N/A GLY 337.A N SER 336.A OG no hydrogen 2.739 N/A ALA 345.A N PHE 341.A O no hydrogen 3.245 N/A SER 346.A N THR 342.A O no hydrogen 2.710 N/A SER 346.A OG THR 342.A O no hydrogen 3.244 N/A ALA 347.A N GLN 343.A O no hydrogen 2.987 N/A THR 348.A N ALA 345.A O no hydrogen 2.973 N/A THR 348.A OG1 ALA 345.A O no hydrogen 2.797 N/A TYR 349.A N SER 346.A O no hydrogen 2.995 N/A TYR 349.A OH GLN 329.A OE1 no hydrogen 2.673 N/A THR 350.A OG1 SER 346.A O no hydrogen 2.583 N/A ASP 351.A N MET 80.A O no hydrogen 2.650 N/A ASN 352.A N ASN 82.A OD1 no hydrogen 2.655 N/A ASN 352.A ND2 GLN 6.A O no hydrogen 3.105 N/A ASN 352.A ND2 ASN 8.A O no hydrogen 3.152 N/A ASP 356.A N ASN 352.A O no hydrogen 2.883 N/A PHE 357.A N ILE 353.A O no hydrogen 3.070 N/A CYS 358.A N LEU 354.A O no hydrogen 2.968 N/A CYS 358.A SG GLU 316.A OE1 no hydrogen 3.841 N/A CYS 358.A SG LEU 354.A O no hydrogen 3.290 N/A CYS 358.A SG SER 427.A OG no hydrogen 3.292 N/A TYR 359.A N GLU 355.A O no hydrogen 3.089 N/A TYR 359.A OH ASP 311.A OD1 no hydrogen 2.820 N/A TYR 359.A OH ASP 311.A OD2 no hydrogen 3.076 N/A LYS 360.A N ASP 356.A O no hydrogen 3.083 N/A LYS 360.A NZ GLU 363.A OE2 no hydrogen 2.798 N/A GLY 361.A N PHE 357.A O no hydrogen 2.741 N/A CYS 362.A N CYS 358.A O no hydrogen 2.858 N/A GLU 363.A N TYR 359.A O no hydrogen 3.088 N/A ILE 364.A N LYS 360.A O no hydrogen 2.980 N/A GLY 365.A N GLY 361.A O no hydrogen 2.880 N/A LEU 366.A N CYS 362.A O no hydrogen 2.858 N/A ASP 367.A N GLU 363.A O no hydrogen 2.928 N/A TYR 368.A N ILE 364.A O no hydrogen 3.014 N/A ALA 369.A N GLY 365.A O no hydrogen 2.937 N/A GLY 370.A N ASP 367.A O no hydrogen 3.188 N/A GLY 371.A N LEU 366.A O no hydrogen 2.740 N/A LYS 372.A N ALA 369.A O no hydrogen 3.014 N/A ALA 374.A N CYS 431.A O no hydrogen 2.960 N/A SER 375.A N LYS 372.A O no hydrogen 3.275 N/A SER 375.A OG ALA 369.A O no hydrogen 3.235 N/A SER 375.A OG LYS 372.A O no hydrogen 2.571 N/A ILE 376.A N ALA 432.A O no hydrogen 2.902 N/A LYS 377.A N SER 375.A O no hydrogen 2.992 N/A LYS 377.A NZ THR 433.A O no hydrogen 2.928 N/A LYS 377.A NZ GLY 434.A O no hydrogen 3.417 N/A LYS 377.A NZ ASN 513.A OD1 no hydrogen 2.876 N/A LYS 380.A N LYS 377.A O no hydrogen 2.908 N/A LEU 381.A N GLY 378.A O no hydrogen 2.893 N/A ILE 385.A N ASN 382.A OD1 no hydrogen 2.748 N/A LEU 386.A N ASN 382.A O no hydrogen 3.348 N/A GLU 387.A N MET 383.A O no hydrogen 2.929 N/A GLU 388.A N ASP 384.A O no hydrogen 3.012 N/A ILE 389.A N ILE 385.A O no hydrogen 2.932 N/A ILE 390.A N LEU 386.A O no hydrogen 2.729 N/A ARG 391.A N GLU 387.A O no hydrogen 2.949 N/A ARG 391.A NH1 GLU 387.A OE1 no hydrogen 2.848 N/A ALA 392.A N GLU 388.A O no hydrogen 3.085 N/A GLU 393.A N ILE 389.A O no hydrogen 3.124 N/A ASN 394.A N ILE 390.A O no hydrogen 2.887 N/A ASN 394.A ND2 SER 446.A O no hydrogen 3.108 N/A ASP 395.A N ARG 391.A O no hydrogen 3.030 N/A TYR 396.A N ALA 392.A O no hydrogen 3.035 N/A TYR 396.A OH ASP 356.A OD1 no hydrogen 2.829 N/A ALA 397.A N GLU 393.A O no hydrogen 2.887 N/A LEU 398.A N ASN 394.A O no hydrogen 2.981 N/A THR 399.A N ASP 395.A O no hydrogen 3.004 N/A THR 399.A OG1 ASP 395.A O no hydrogen 2.912 N/A THR 399.A OG1 ASP 395.A OD2 no hydrogen 3.381 N/A GLN 400.A N TYR 396.A O no hydrogen 3.254 N/A GLN 400.A NE2 TYR 396.A O no hydrogen 3.072 N/A TYR 401.A OH HIS 411.A ND1 no hydrogen 2.841 N/A GLU 402.A N THR 399.A O no hydrogen 3.070 N/A ALA 403.A N THR 399.A O no hydrogen 2.689 N/A TYR 404.A N GLN 400.A O no hydrogen 2.851 N/A THR 406.A OG1 PRO 21.A O no hydrogen 2.731 N/A VAL 407.A N TYR 404.A O no hydrogen 2.782 N/A GLU 409.A N PRO 405.A O no hydrogen 2.924 N/A SER 410.A N THR 406.A O no hydrogen 2.942 N/A SER 410.A OG THR 406.A O no hydrogen 2.854 N/A HIS 411.A N VAL 407.A O no hydrogen 2.959 N/A HIS 411.A ND1 TYR 401.A OH no hydrogen 2.841 N/A VAL 416.A N GLY 413.A O no hydrogen 3.169 N/A ARG 417.A NH2 HIS 411.A O no hydrogen 3.045 N/A ARG 417.A NH2 PHE 412.A O no hydrogen 3.200 N/A ALA 418.A N GLY 414.A O no hydrogen 2.909 N/A CYS 419.A N SER 415.A O no hydrogen 3.078 N/A CYS 419.A SG GLY 497.A O no hydrogen 3.219 N/A CYS 419.A SG SER 500.A OG no hydrogen 3.708 N/A CYS 420.A N VAL 416.A O no hydrogen 2.984 N/A CYS 420.A SG VAL 416.A O no hydrogen 3.220 N/A ALA 421.A N ARG 417.A O no hydrogen 2.910 N/A ALA 422.A N ALA 418.A O no hydrogen 2.950 N/A ALA 423.A N CYS 419.A O no hydrogen 2.908 N/A GLY 424.A N CYS 420.A O no hydrogen 2.977 N/A CYS 425.A N ALA 421.A O no hydrogen 3.036 N/A CYS 425.A SG ILE 390.A O no hydrogen 3.623 N/A CYS 425.A SG ASN 394.A OD1 no hydrogen 3.408 N/A CYS 425.A SG ALA 421.A O no hydrogen 3.563 N/A GLY 426.A N ALA 422.A O no hydrogen 2.896 N/A SER 427.A N ALA 423.A O no hydrogen 2.861 N/A SER 427.A OG GLU 316.A OE1 no hydrogen 2.527 N/A SER 427.A OG GLU 316.A OE2 no hydrogen 3.309 N/A SER 427.A OG ALA 423.A O no hydrogen 2.885 N/A ALA 428.A N GLY 424.A O no hydrogen 3.094 N/A VAL 429.A N CYS 425.A O no hydrogen 3.152 N/A ALA 430.A N GLY 426.A O no hydrogen 2.784 N/A CYS 431.A N SER 427.A O no hydrogen 2.876 N/A CYS 431.A SG SER 427.A O no hydrogen 3.673 N/A ALA 432.A N ALA 428.A O no hydrogen 3.179 N/A THR 433.A N VAL 429.A O no hydrogen 2.882 N/A THR 433.A OG1 VAL 429.A O no hydrogen 2.746 N/A THR 433.A OG1 LEU 435.A O no hydrogen 3.260 N/A GLY 434.A N ALA 430.A O no hydrogen 2.837 N/A LEU 435.A N THR 433.A OG1 no hydrogen 3.155 N/A GLN 437.A NE2 SER 472.A O no hydrogen 2.904 N/A GLN 437.A NE2 MET 481.A O no hydrogen 3.321 N/A ALA 439.A N ALA 436.A O no hydrogen 2.830 N/A LEU 440.A N GLN 437.A O no hydrogen 2.957 N/A SER 441.A OG TYR 473.A OH no hydrogen 2.774 N/A ALA 442.A N PRO 438.A O no hydrogen 3.322 N/A TRP 443.A N ALA 439.A O no hydrogen 2.997 N/A TRP 443.A NE1 ASP 465.A OD2 no hydrogen 2.571 N/A SER 444.A N LEU 440.A O no hydrogen 2.969 N/A LEU 445.A N SER 441.A O no hydrogen 3.133 N/A SER 446.A N ALA 442.A O no hydrogen 2.904 N/A SER 446.A OG ASN 394.A OD1 no hydrogen 2.781 N/A MET 447.A N TRP 443.A O no hydrogen 3.158 N/A LEU 448.A N SER 444.A O no hydrogen 3.003 N/A GLY 449.A N LEU 445.A O no hydrogen 2.773 N/A HIS 450.A N SER 446.A O no hydrogen 2.768 N/A TYR 451.A N MET 447.A O no hydrogen 3.037 N/A GLU 452.A N LEU 448.A O no hydrogen 3.056 N/A ARG 453.A N GLY 449.A O no hydrogen 2.815 N/A ARG 453.A NE GLU 402.A OE2 no hydrogen 2.775 N/A ARG 453.A NH1 ASP 395.A OD2 no hydrogen 3.032 N/A ARG 453.A NH2 THR 399.A OG1 no hydrogen 3.011 N/A ARG 453.A NH2 GLU 402.A OE1 no hydrogen 2.744 N/A ARG 453.A NH2 GLU 402.A OE2 no hydrogen 3.499 N/A VAL 454.A N HIS 450.A O no hydrogen 2.933 N/A GLY 455.A N TYR 451.A O no hydrogen 2.983 N/A PHE 459.A N SER 415.A OG no hydrogen 2.757 N/A TYR 461.A OH GLY 497.A O no hydrogen 2.836 N/A GLN 466.A N ASP 462.A O no hydrogen 2.861 N/A GLN 466.A NE2 ASP 462.A OD2 no hydrogen 2.973 N/A CYS 467.A N LEU 463.A O no hydrogen 3.234 N/A CYS 467.A SG LEU 463.A O no hydrogen 3.204 N/A THR 468.A N ASP 465.A O no hydrogen 3.250 N/A THR 468.A OG1 GLN 464.A O no hydrogen 2.640 N/A CYS 470.A SG GLU 479.A OE2 no hydrogen 3.507 N/A GLY 471.A N CYS 467.A O no hydrogen 2.868 N/A SER 472.A N THR 468.A O no hydrogen 2.688 N/A TYR 473.A OH SER 441.A OG no hydrogen 2.774 N/A SER 474.A OG GLU 479.A OE1 no hydrogen 2.652 N/A GLN 476.A N SER 474.A OG no hydrogen 3.151 N/A SER 477.A OG ASP 478.A OD1 no hydrogen 3.273 N/A GLU 479.A N GLN 476.A O no hydrogen 3.118 N/A GLY 480.A N GLN 476.A O no hydrogen 3.236 N/A PHE 483.A N GLN 437.A OE1 no hydrogen 2.816 N/A GLU 484.A N GLU 484.A OE1 no hydrogen 2.722 N/A MET 485.A N PRO 482.A O no hydrogen 2.974 N/A ARG 486.A N PHE 483.A O no hydrogen 3.000 N/A ARG 486.A NE MET 481.A O no hydrogen 2.902 N/A ARG 486.A NH1 GLY 471.A O no hydrogen 2.897 N/A ARG 486.A NH1 MET 481.A O no hydrogen 3.058 N/A ARG 486.A NH2 TYR 493.A OH no hydrogen 3.086 N/A TYR 490.A N GLY 487.A O no hydrogen 3.092 N/A TYR 490.A OH GLU 479.A O no hydrogen 2.374 N/A TYR 493.A N TYR 490.A O no hydrogen 2.695 N/A ALA 494.A N PRO 491.A O no hydrogen 3.099 N/A GLY 497.A N ASP 328.A OD2 no hydrogen 2.759 N/A HIS 498.A ND1 VAL 496.A O no hydrogen 2.773 N/A HIS 498.A NE2 ASP 465.A OD1 no hydrogen 2.674 N/A TYR 502.A N HIS 498.A O no hydrogen 2.941 N/A TYR 502.A OH GLN 464.A OE1 no hydrogen 2.686 N/A ALA 503.A N GLN 499.A O no hydrogen 3.042 N/A GLY 504.A N SER 500.A O no hydrogen 3.428 N/A LEU 505.A N ALA 501.A O no hydrogen 2.924 N/A VAL 506.A N TYR 502.A O no hydrogen 3.006 N/A ALA 507.A N ALA 503.A O no hydrogen 3.342 N/A GLY 508.A N GLY 504.A O no hydrogen 2.807 N/A ALA 509.A N LEU 505.A O no hydrogen 3.113 N/A HIS 510.A ND1 ASP 515.A OD2 no hydrogen 2.880 N/A HIS 510.A NE2 GLU 484.A OE2 no hydrogen 2.492 N/A SER 511.A N ALA 507.A O no hydrogen 2.900 N/A ALA 512.A N GLY 508.A O no hydrogen 2.848 N/A ASN 513.A N ALA 509.A O no hydrogen 2.924 N/A ASN 513.A ND2 ASP 515.A OD2 no hydrogen 2.788 N/A HIS 514.A N SER 511.A O no hydrogen 2.949 N/A ASP 515.A N HIS 510.A O no hydrogen 2.779 N/A ALA 516.A N GLN 208.A OE1 no hydrogen 2.939 N/A VAL 518.A N ASP 300.A OD2 no hydrogen 2.697 N/A LEU 519.A N ASP 300.A OD1 no hydrogen 2.894 N/A SER 520.A N ASP 300.A OD1 no hydrogen 2.716 N/A TRP 523.A N SER 520.A OG no hydrogen 3.073 N/A TRP 523.A NE1 GLN 274.A O no hydrogen 3.130 N/A LYS 524.A N SER 520.A O no hydrogen 3.033 N/A LYS 524.A NZ ASP 300.A O no hydrogen 2.941 N/A LYS 524.A NZ THR 302.A O no hydrogen 2.706 N/A VAL 525.A N PRO 521.A O no hydrogen 3.103 N/A ALA 526.A N LEU 522.A O no hydrogen 3.008 N/A PHE 527.A N TRP 523.A O no hydrogen 3.041 N/A SER 528.A N VAL 525.A O no hydrogen 2.985 N/A SER 528.A OG VAL 525.A O no hydrogen 2.521 N/A ASP 529.A N ALA 526.A O no hydrogen 3.243 N/A ARG 530.A NE GLU 194.A OE2 no hydrogen 2.940 N/A ASP 531.A N ASP 529.A OD2 no hydrogen 2.936 N/A LEU 532.A N ASP 529.A O no hydrogen 3.229 N/A PHE 534.A N ASP 107.A OD2 no hydrogen 3.109 N/A ASP 535.A N GLU 542.A OE2 no hydrogen 2.885 N/A ARG 536.A NE SER 301.A O no hydrogen 2.715 N/A ARG 536.A NH1 ALA 104.A O no hydrogen 3.168 N/A ARG 536.A NH2 SER 301.A OG no hydrogen 2.948 N/A GLY 537.A N ASP 535.A OD1 no hydrogen 2.867 N/A TYR 538.A N ASP 535.A O no hydrogen 3.226 N/A VAL 539.A N GLU 318.A OE1 no hydrogen 2.777 N/A THR 540.A OG1 ASN 82.A O no hydrogen 2.773 N/A GLU 542.A N TYR 538.A O no hydrogen 2.993 N/A TYR 543.A N VAL 539.A O no hydrogen 2.985 N/A TYR 543.A OH ALA 321.A O no hydrogen 2.900 N/A GLY 544.A N THR 540.A O no hydrogen 3.032 N/A LEU 545.A N ARG 541.A O no hydrogen 3.030 N/A GLY 546.A N GLU 542.A O no hydrogen 2.931 N/A ALA 547.A N TYR 543.A O no hydrogen 2.944 N/A ASN 548.A N GLY 544.A O no hydrogen 3.149 N/A ASN 548.A ND2 MET 87.A O no hydrogen 3.293 N/A ARG 549.A N GLY 546.A O no hydrogen 3.176 N/A ARG 549.A NH1 GLU 44.A OE2 no hydrogen 3.374 N/A ARG 549.A NH2 GLU 44.A OE2 no hydrogen 2.749 N/A GLU 550.A N LEU 545.A O no hydrogen 2.911 N/A TYR 551.A OH GLU 542.A OE2 no hydrogen 3.247 N/A ALA 555.A N GLN 103.A OE1 no hydrogen 2.881 N/A ILE 561.A N ARG 558.A O no hydrogen 3.098 N/A ARG 568.A N HIS 565.A O no hydrogen 2.959 N/A