Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d3a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ILE 142.A O no hydrogen 3.036 N/A GLU 8.A N LEU 15.A O no hydrogen 2.877 N/A GLY 10.A N THR 13.A O no hydrogen 2.785 N/A LYS 11.A NZ ASP 224.A OD1 no hydrogen 2.607 N/A ASN 12.A N ASP 224.A O no hydrogen 2.654 N/A ASN 12.A ND2 PRO 223.A O no hydrogen 2.758 N/A THR 13.A OG1 PHE 14.A O no hydrogen 3.085 N/A LEU 15.A N GLU 8.A O no hydrogen 2.932 N/A LEU 16.A N GLU 19.A O no hydrogen 2.738 N/A ASN 17.A N THR 6.A O no hydrogen 2.811 N/A GLU 19.A N LEU 16.A O no hydrogen 3.094 N/A PHE 21.A N PHE 14.A O no hydrogen 2.803 N/A VAL 23.A N SER 262.A OG no hydrogen 2.846 N/A LYS 24.A N ASN 49.A OD1 no hydrogen 3.054 N/A LYS 24.A NZ TYR 317.A O no hydrogen 3.472 N/A ALA 25.A N PHE 263.A O no hydrogen 2.770 N/A ALA 26.A N THR 50.A O no hydrogen 2.674 N/A GLU 27.A N LEU 265.A O no hydrogen 3.355 N/A ILE 28.A N CYS 52.A O no hydrogen 3.202 N/A TYR 30.A OH HIS 60.A NE2 no hydrogen 2.470 N/A ARG 32.A N HIS 29.A O no hydrogen 2.876 N/A ARG 32.A NE HIS 29.A ND1 no hydrogen 2.971 N/A ARG 32.A NH1 SER 272.A OG no hydrogen 2.796 N/A ARG 32.A NH2 HIS 29.A ND1 no hydrogen 2.966 N/A ARG 32.A NH2 ALA 98.A O no hydrogen 2.563 N/A ILE 33.A N TYR 30.A O no hydrogen 3.396 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.593 N/A TYR 37.A N PRO 34.A O no hydrogen 2.684 N/A TYR 37.A OH ASP 500.A OD1 no hydrogen 2.798 N/A TRP 38.A N LYS 35.A O no hydrogen 3.420 N/A TRP 38.A NE1 TYR 30.A O no hydrogen 3.093 N/A TRP 38.A NE1 ILE 33.A O no hydrogen 2.869 N/A ARG 41.A N TYR 37.A O no hydrogen 2.897 N/A ARG 41.A NH1 HIS 40.A ND1 no hydrogen 3.119 N/A ARG 41.A NH2 TYR 530.A OH no hydrogen 3.311 N/A ILE 42.A N TRP 38.A O no hydrogen 2.862 N/A LYS 43.A N GLU 39.A O no hydrogen 2.906 N/A LYS 43.A NZ ASN 85.A OD1 no hydrogen 2.894 N/A CYS 44.A SG ARG 41.A O no hydrogen 3.349 N/A LYS 45.A N ILE 42.A O no hydrogen 3.057 N/A LYS 45.A NZ ASN 85.A O no hydrogen 3.141 N/A ALA 46.A N LYS 43.A O no hydrogen 2.911 N/A GLY 48.A N LYS 45.A O no hydrogen 3.106 N/A ASN 49.A N LYS 24.A O no hydrogen 2.865 N/A ASN 49.A ND2 VAL 22.A O no hydrogen 2.893 N/A THR 50.A N LYS 24.A O no hydrogen 3.279 N/A THR 50.A OG1 ASN 49.A OD1 no hydrogen 2.562 N/A ILE 51.A N TYR 87.A O no hydrogen 2.772 N/A CYS 52.A N ALA 26.A O no hydrogen 2.906 N/A CYS 52.A SG SER 264.A OG no hydrogen 3.384 N/A LEU 53.A N ILE 89.A O no hydrogen 2.785 N/A TYR 54.A OH ASN 154.A OD1 no hydrogen 2.816 N/A VAL 55.A N ARG 91.A O no hydrogen 2.823 N/A PHE 56.A N TYR 30.A OH no hydrogen 3.200 N/A TRP 57.A NE1 GLU 61.A OE1 no hydrogen 2.734 N/A ASN 58.A N GLY 103.A O no hydrogen 2.763 N/A ASN 58.A ND2 GLU 101.A O no hydrogen 2.852 N/A ASN 58.A ND2 LEU 104.A O no hydrogen 3.156 N/A PHE 59.A N PHE 56.A O no hydrogen 3.063 N/A HIS 60.A N PHE 56.A O no hydrogen 3.388 N/A HIS 60.A N TRP 57.A O no hydrogen 2.995 N/A HIS 60.A ND1 ASP 68.A O no hydrogen 2.816 N/A HIS 60.A NE2 TYR 30.A OH no hydrogen 2.470 N/A GLU 61.A N TRP 57.A O no hydrogen 2.934 N/A GLY 65.A N GLU 61.A OE2 no hydrogen 2.757 N/A ARG 66.A N GLU 63.A O no hydrogen 3.015 N/A ASP 68.A N HIS 60.A O no hydrogen 2.646 N/A ALA 70.A N ASP 68.A OD1 no hydrogen 2.873 N/A GLN 72.A NE2 TYR 30.A O no hydrogen 3.412 N/A GLN 72.A NE2 ILE 33.A O no hydrogen 2.581 N/A LYS 73.A N ALA 70.A O no hydrogen 2.958 N/A LYS 73.A NZ PHE 59.A O no hydrogen 2.639 N/A ASP 74.A N GLY 71.A O no hydrogen 3.003 N/A ILE 75.A N LYS 73.A O no hydrogen 3.027 N/A ALA 77.A N ASP 74.A OD1 no hydrogen 2.905 N/A PHE 78.A N ASP 74.A O no hydrogen 3.253 N/A CYS 79.A N ILE 75.A O no hydrogen 2.985 N/A CYS 79.A SG ILE 75.A O no hydrogen 3.477 N/A ARG 80.A N ALA 76.A O no hydrogen 2.806 N/A LEU 81.A N ALA 77.A O no hydrogen 2.828 N/A ALA 82.A N PHE 78.A O no hydrogen 2.850 N/A GLN 83.A N CYS 79.A O no hydrogen 2.822 N/A GLN 83.A NE2 GLY 145.A O no hydrogen 2.948 N/A GLU 84.A N ARG 80.A O no hydrogen 2.809 N/A ASN 85.A N ALA 82.A O no hydrogen 3.142 N/A ASN 85.A ND2 LEU 81.A O no hydrogen 2.804 N/A GLY 86.A N GLN 83.A O no hydrogen 2.826 N/A VAL 88.A N ASN 147.A O no hydrogen 2.883 N/A ILE 89.A N ILE 51.A O no hydrogen 2.958 N/A ARG 91.A N LEU 53.A O no hydrogen 2.841 N/A ARG 91.A NE GLU 27.A OE2 no hydrogen 2.887 N/A ARG 91.A NH1 GLN 151.A OE1 no hydrogen 2.847 N/A ARG 91.A NH1 SER 229.A OG no hydrogen 2.917 N/A ARG 91.A NH2 GLU 27.A OE1 no hydrogen 2.776 N/A ARG 91.A NH2 GLU 27.A OE2 no hydrogen 3.499 N/A ARG 91.A NH2 SER 229.A O no hydrogen 3.100 N/A TYR 95.A OH ASN 435.A O no hydrogen 2.664 N/A VAL 96.A N GLY 102.A O no hydrogen 2.760 N/A CYS 97.A N GLY 102.A O no hydrogen 3.278 N/A CYS 97.A SG ASN 435.A O no hydrogen 3.556 N/A CYS 97.A SG ASN 435.A OD1 no hydrogen 3.411 N/A TRP 100.A N CYS 97.A O no hydrogen 2.944 N/A TRP 100.A NE1 ASN 58.A OD1 no hydrogen 2.819 N/A GLU 101.A N TRP 276.A O no hydrogen 2.702 N/A GLY 103.A N GLU 101.A O no hydrogen 2.855 N/A TRP 106.A NE1 PRO 62.A O no hydrogen 3.043 N/A TRP 107.A NE1 GLU 61.A O no hydrogen 2.967 N/A LEU 108.A N PRO 105.A O no hydrogen 3.109 N/A LEU 109.A N TRP 106.A O no hydrogen 2.830 N/A LYS 110.A N TRP 107.A O no hydrogen 3.267 N/A LYS 110.A NZ ASP 364.A OD1 no hydrogen 2.989 N/A LYS 111.A N LEU 108.A O no hydrogen 3.162 N/A LYS 111.A NZ ASP 120.A OD1 no hydrogen 2.856 N/A LYS 111.A NZ ASP 120.A OD2 no hydrogen 2.808 N/A ASP 113.A N ASP 113.A OD1 no hydrogen 2.671 N/A ILE 114.A N LYS 111.A O no hydrogen 2.747 N/A LYS 115.A N ASP 120.A OD2 no hydrogen 3.078 N/A LEU 116.A N TYR 441.A OH no hydrogen 2.653 N/A ARG 117.A NE GLU 153.A OE2 no hydrogen 3.216 N/A ARG 117.A NH2 GLU 153.A OE1 no hydrogen 2.825 N/A GLN 119.A NE2 GLU 168.A OE1 no hydrogen 2.714 N/A ASP 120.A N GLU 118.A O no hydrogen 2.745 N/A TYR 122.A OH GLU 64.A OE1 no hydrogen 2.411 N/A TYR 123.A N ASP 120.A OD1 no hydrogen 3.090 N/A TYR 123.A OH TYR 165.A OH no hydrogen 2.915 N/A ARG 125.A N TYR 122.A O no hydrogen 3.156 N/A ARG 125.A NH2 GLU 61.A OE2 no hydrogen 2.946 N/A VAL 126.A N TYR 123.A O no hydrogen 2.955 N/A LYS 127.A NZ GLU 124.A OE2 no hydrogen 3.231 N/A LEU 128.A N GLU 124.A O no hydrogen 3.169 N/A PHE 129.A N ARG 125.A O no hydrogen 2.905 N/A LEU 130.A N VAL 126.A O no hydrogen 2.843 N/A ASN 131.A N LYS 127.A O no hydrogen 2.898 N/A GLU 132.A N LEU 128.A O no hydrogen 3.191 N/A VAL 133.A N PHE 129.A O no hydrogen 3.015 N/A GLY 134.A N LEU 130.A O no hydrogen 2.785 N/A LYS 135.A N ASN 131.A O no hydrogen 3.019 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 2.891 N/A GLN 136.A N GLU 132.A O no hydrogen 3.159 N/A GLN 136.A N VAL 133.A O no hydrogen 3.043 N/A LEU 137.A N VAL 133.A O no hydrogen 2.827 N/A ALA 138.A N GLY 134.A O no hydrogen 2.872 N/A LEU 140.A N LEU 137.A O no hydrogen 2.814 N/A GLN 141.A N ALA 138.A O no hydrogen 3.138 N/A GLN 141.A NE2 ALA 138.A O no hydrogen 3.003 N/A GLN 141.A NE2 GLY 176.A O no hydrogen 2.948 N/A ILE 142.A N ILE 148.A O no hydrogen 2.755 N/A LYS 144.A N GLN 141.A O no hydrogen 2.881 N/A LYS 144.A NZ ASP 139.A OD1 no hydrogen 3.514 N/A GLY 145.A N ILE 142.A O no hydrogen 3.132 N/A GLY 146.A N GLN 141.A O no hydrogen 2.903 N/A ASN 147.A ND2 CYS 79.A O no hydrogen 3.183 N/A ILE 148.A N LEU 140.A O no hydrogen 2.999 N/A ILE 149.A N VAL 88.A O no hydrogen 2.867 N/A VAL 150.A N PRO 181.A O no hydrogen 3.200 N/A GLN 151.A N VAL 90.A O no hydrogen 2.767 N/A GLN 151.A NE2 GLU 153.A O no hydrogen 2.655 N/A GLN 151.A NE2 ASN 154.A OD1 no hydrogen 2.920 N/A VAL 152.A N PHE 183.A O no hydrogen 2.948 N/A ASN 154.A N GLU 153.A OE1 no hydrogen 2.531 N/A TYR 156.A OH ARG 117.A O no hydrogen 2.616 N/A GLY 157.A N ASP 186.A OD1 no hydrogen 2.758 N/A ALA 158.A N GLU 155.A O no hydrogen 3.074 N/A PHE 159.A N TYR 156.A O no hydrogen 2.808 N/A GLY 160.A N TYR 156.A O no hydrogen 2.950 N/A TYR 165.A N ASP 162.A OD2 no hydrogen 3.119 N/A TYR 165.A OH TYR 123.A OH no hydrogen 2.915 N/A TYR 165.A OH GLU 153.A OE2 no hydrogen 2.631 N/A ILE 166.A N ASP 162.A O no hydrogen 3.238 N/A SER 167.A N LYS 163.A O no hydrogen 2.813 N/A SER 167.A OG LYS 163.A O no hydrogen 2.624 N/A GLU 168.A N PRO 164.A O no hydrogen 2.971 N/A ILE 169.A N TYR 165.A O no hydrogen 2.880 N/A ARG 170.A N ILE 166.A O no hydrogen 2.856 N/A ARG 170.A NH1 ASP 171.A OD1 no hydrogen 2.579 N/A ARG 170.A NH2 ASP 198.A OD1 no hydrogen 3.458 N/A ASP 171.A N SER 167.A O no hydrogen 2.980 N/A LYS 173.A N ARG 170.A O no hydrogen 3.025 N/A GLN 174.A N ASP 171.A O no hydrogen 2.753 N/A ALA 175.A N VAL 172.A O no hydrogen 3.165 N/A GLY 176.A N LYS 173.A O no hydrogen 3.045 N/A PHE 177.A N VAL 172.A O no hydrogen 3.312 N/A THR 178.A N GLY 176.A O no hydrogen 3.091 N/A GLY 179.A N GLN 141.A OE1 no hydrogen 2.828 N/A PHE 183.A N VAL 150.A O no hydrogen 3.066 N/A GLN 184.A N LEU 200.A O no hydrogen 2.752 N/A GLN 184.A NE2 ASN 194.A O no hydrogen 2.992 N/A CYS 185.A SG ASN 154.A OD1 no hydrogen 3.844 N/A ASP 186.A N THR 202.A O no hydrogen 3.080 N/A TRP 187.A N ASN 190.A OD1 no hydrogen 2.971 N/A TRP 187.A NE1 GLU 155.A OE2 no hydrogen 2.686 N/A ASN 190.A N TRP 187.A O no hydrogen 2.917 N/A PHE 191.A N TRP 187.A O no hydrogen 2.858 N/A ASN 193.A N ASN 190.A O no hydrogen 3.042 N/A LEU 196.A N GLN 184.A OE1 no hydrogen 2.758 N/A LEU 199.A N LEU 196.A O no hydrogen 3.242 N/A LEU 200.A N LEU 182.A O no hydrogen 3.395 N/A TRP 201.A NE1 LEU 196.A O no hydrogen 2.557 N/A THR 202.A N GLN 184.A O no hydrogen 2.885 N/A THR 202.A OG1 GLN 184.A O no hydrogen 2.778 N/A ASN 204.A N ASP 186.A O no hydrogen 2.997 N/A ASN 204.A ND2 GLU 155.A OE2 no hydrogen 2.886 N/A PHE 205.A N GLU 230.A O no hydrogen 3.174 N/A THR 207.A N TRP 232.A O no hydrogen 3.016 N/A ALA 209.A N GLY 206.A O no hydrogen 3.039 N/A GLU 213.A N ASN 210.A OD1 no hydrogen 2.712 N/A GLN 214.A N ASN 210.A O no hydrogen 2.789 N/A GLN 214.A N ILE 211.A O no hydrogen 3.066 N/A PHE 215.A N ILE 211.A O no hydrogen 3.082 N/A LYS 216.A N ASP 212.A O no hydrogen 2.797 N/A ARG 217.A NE GLU 192.A OE2 no hydrogen 2.769 N/A ARG 217.A NH1 GLU 220.A OE1 no hydrogen 3.374 N/A ARG 217.A NH2 GLU 192.A OE1 no hydrogen 3.058 N/A LYS 219.A N PHE 215.A O no hydrogen 2.964 N/A GLU 220.A N LYS 216.A O no hydrogen 3.433 N/A LEU 221.A N ARG 217.A O no hydrogen 3.112 N/A ARG 222.A N LEU 218.A O no hydrogen 2.852 N/A ARG 222.A NH1 LEU 199.A O no hydrogen 2.780 N/A ARG 222.A NH2 LEU 199.A O no hydrogen 2.863 N/A THR 225.A OG1 PRO 226.A O no hydrogen 3.242 N/A CYS 228.A SG ILE 203.A O no hydrogen 3.666 N/A PHE 231.A N SER 264.A O no hydrogen 2.899 N/A TRP 232.A N PHE 205.A O no hydrogen 2.971 N/A TRP 232.A NE1 GLU 230.A OE1 no hydrogen 3.059 N/A TRP 235.A N TYR 293.A O no hydrogen 2.730 N/A TRP 235.A NE1 ASP 237.A OD1 no hydrogen 2.968 N/A TRP 239.A N PRO 286.A O no hydrogen 2.935 N/A GLY 240.A N GLY 524.A O no hydrogen 2.951 N/A ALA 241.A N HIS 238.A O no hydrogen 3.159 N/A HIS 243.A ND1 ASP 237.A OD1 no hydrogen 3.028 N/A HIS 243.A ND1 ASP 237.A OD2 no hydrogen 2.566 N/A ARG 246.A N ASP 294.A OD2 no hydrogen 2.911 N/A ARG 246.A NH1 GLU 244.A OE1 no hydrogen 3.521 N/A ARG 246.A NH1 THR 245.A O no hydrogen 2.812 N/A ARG 246.A NH2 GLU 244.A OE1 no hydrogen 3.297 N/A GLU 249.A N SER 247.A OG no hydrogen 3.291 N/A VAL 252.A N ALA 248.A O no hydrogen 2.901 N/A LYS 253.A N GLU 249.A O no hydrogen 3.002 N/A GLY 254.A N GLU 250.A O no hydrogen 3.029 N/A GLU 256.A N LYS 253.A O no hydrogen 3.061 N/A ASP 258.A N LYS 255.A O no hydrogen 2.676 N/A ASN 260.A N LEU 257.A O no hydrogen 2.905 N/A SER 262.A N LEU 227.A O no hydrogen 3.137 N/A PHE 263.A N VAL 23.A O no hydrogen 2.893 N/A SER 264.A OG GLU 27.A OE1 no hydrogen 2.800 N/A LEU 265.A N ALA 25.A O no hydrogen 2.900 N/A TYR 266.A N PHE 231.A O no hydrogen 2.706 N/A TYR 266.A OH GLU 99.A OE1 no hydrogen 3.365 N/A TYR 266.A OH TYR 291.A OH no hydrogen 3.225 N/A THR 267.A OG1 LEU 265.A O no hydrogen 3.390 N/A THR 271.A N ARG 32.A O no hydrogen 2.878 N/A THR 271.A OG1 GLU 299.A OE2 no hydrogen 2.572 N/A SER 272.A N THR 289.A O no hydrogen 2.740 N/A GLY 274.A N ALA 516.A O no hydrogen 2.952 N/A TRP 276.A N PHE 273.A O no hydrogen 3.308 N/A GLY 278.A N GLU 99.A O no hydrogen 2.888 N/A ASN 280.A N SER 285.A O no hydrogen 2.772 N/A SER 285.A OG TYR 572.A OH no hydrogen 2.589 N/A THR 287.A N GLY 278.A O no hydrogen 3.189 N/A THR 287.A OG1 GLY 278.A O no hydrogen 3.503 N/A THR 287.A OG1 CYS 288.A O no hydrogen 3.516 N/A CYS 288.A N ASP 237.A O no hydrogen 2.988 N/A THR 289.A OG1 ARG 519.A O no hydrogen 2.515 N/A SER 290.A N GLN 526.A OE1 no hydrogen 2.866 N/A SER 290.A OG GLU 299.A OE1 no hydrogen 2.584 N/A TYR 291.A N GLY 270.A O no hydrogen 2.978 N/A TYR 291.A OH GLU 99.A OE1 no hydrogen 2.539 N/A TYR 291.A OH TYR 266.A OH no hydrogen 3.225 N/A ASP 292.A N SER 290.A OG no hydrogen 3.327 N/A ASP 294.A N ASP 292.A OD2 no hydrogen 2.812 N/A ALA 295.A N ASP 292.A O no hydrogen 3.064 N/A ILE 297.A N THR 267.A O no hydrogen 2.951 N/A ASN 298.A N LYS 302.A O no hydrogen 3.326 N/A GLU 299.A N ASP 292.A OD1 no hydrogen 2.734 N/A SER 300.A OG ASN 298.A OD1 no hydrogen 3.226 N/A GLY 301.A N ASN 298.A O no hydrogen 2.628 N/A LYS 302.A N ASN 298.A OD1 no hydrogen 2.781 N/A THR 304.A OG1 PRO 296.A O no hydrogen 2.698 N/A LYS 306.A NZ ARG 246.A O no hydrogen 2.936 N/A LYS 306.A NZ ASP 294.A O no hydrogen 3.020 N/A LYS 306.A NZ ASP 294.A OD2 no hydrogen 2.838 N/A TYR 307.A N THR 304.A OG1 no hydrogen 3.045 N/A LEU 308.A N THR 304.A O no hydrogen 3.146 N/A GLU 309.A N PRO 305.A O no hydrogen 3.059 N/A VAL 310.A N LYS 306.A O no hydrogen 2.997 N/A ARG 311.A N TYR 307.A O no hydrogen 2.689 N/A ARG 311.A NH1 ALA 46.A O no hydrogen 2.541 N/A ARG 311.A NH1 PRO 325.A O no hydrogen 3.008 N/A ASN 312.A N LEU 308.A O no hydrogen 2.914 N/A LEU 313.A N GLU 309.A O no hydrogen 3.166 N/A LEU 314.A N VAL 310.A O no hydrogen 2.898 N/A GLY 315.A N ARG 311.A O no hydrogen 3.033 N/A ASN 316.A N LEU 313.A O no hydrogen 3.022 N/A TYR 317.A N LEU 314.A O no hydrogen 3.107 N/A TYR 317.A OH ASP 258.A OD1 no hydrogen 2.799 N/A TYR 317.A OH ASP 258.A OD2 no hydrogen 3.142 N/A THR 323.A OG1 LEU 324.A O no hydrogen 3.428 N/A ILE 334.A N ASP 500.A O no hydrogen 2.844 N/A ILE 336.A N GLY 557.A O no hydrogen 2.791 N/A ILE 339.A N THR 555.A O no hydrogen 2.659 N/A THR 341.A N ARG 490.A O no hydrogen 3.158 N/A THR 341.A OG1 ARG 490.A O no hydrogen 3.512 N/A GLU 342.A N ARG 490.A O no hydrogen 3.054 N/A LEU 345.A N PRO 486.A O no hydrogen 2.937 N/A ASP 347.A N VAL 344.A O no hydrogen 3.038 N/A ASN 348.A N LEU 345.A O no hydrogen 2.917 N/A ASN 348.A ND2 VAL 344.A O no hydrogen 2.730 N/A LYS 353.A N VAL 466.A O no hydrogen 2.747 N/A SER 355.A N TRP 464.A O no hydrogen 2.902 N/A SER 355.A OG ASP 357.A O no hydrogen 2.879 N/A THR 360.A OG1 GLU 361.A OE1 no hydrogen 2.757 N/A ALA 362.A N THR 360.A O no hydrogen 3.015 N/A ASP 364.A N GLU 361.A O no hydrogen 2.918 N/A TRP 367.A NE1 GLU 101.A OE2 no hydrogen 2.947 N/A SER 369.A N ILE 469.A O no hydrogen 2.991 N/A ILE 370.A N VAL 430.A O no hydrogen 2.838 N/A LEU 371.A N TYR 467.A O no hydrogen 2.887 N/A TYR 372.A N ILE 428.A O no hydrogen 2.893 N/A TYR 372.A OH ARG 359.A O no hydrogen 2.530 N/A ARG 373.A N GLN 465.A O no hydrogen 2.906 N/A ARG 373.A NE ASP 427.A OD1 no hydrogen 2.514 N/A ARG 373.A NH2 ASP 427.A OD1 no hydrogen 3.231 N/A ARG 373.A NH2 ASP 427.A OD2 no hydrogen 3.053 N/A THR 374.A N LEU 426.A O no hydrogen 3.059 N/A THR 374.A OG1 SER 375.A O no hydrogen 3.511 N/A THR 374.A OG1 LYS 462.A O no hydrogen 3.309 N/A THR 374.A OG1 ASP 463.A O no hydrogen 2.649 N/A LEU 376.A N ASP 424.A O no hydrogen 2.999 N/A SER 379.A N LEU 420.A O no hydrogen 2.840 N/A SER 379.A OG LYS 381.A O no hydrogen 2.801 N/A GLN 383.A N LEU 417.A O no hydrogen 2.994 N/A THR 384.A N GLN 453.A O no hydrogen 3.072 N/A LEU 385.A N VAL 415.A O no hydrogen 2.658 N/A LEU 386.A N GLU 451.A O no hydrogen 2.795 N/A ILE 387.A N GLY 413.A O no hydrogen 2.865 N/A THR 388.A N LYS 449.A O no hydrogen 2.703 N/A GLU 389.A N ILE 387.A O no hydrogen 2.786 N/A HIS 391.A N GLY 445.A O no hydrogen 2.597 N/A TRP 393.A N GLU 431.A O no hydrogen 3.102 N/A ALA 394.A N LEU 406.A O no hydrogen 2.813 N/A GLN 395.A N LEU 429.A O no hydrogen 2.958 N/A VAL 396.A N ALA 404.A O no hydrogen 2.971 N/A PHE 397.A N ASP 427.A O no hydrogen 2.722 N/A LEU 398.A N LYS 401.A O no hydrogen 2.915 N/A ASN 399.A N ARG 425.A O no hydrogen 2.830 N/A LYS 401.A N LEU 398.A O no hydrogen 3.021 N/A LEU 403.A N VAL 396.A O no hydrogen 2.693 N/A ALA 404.A N VAL 396.A O no hydrogen 3.443 N/A LEU 406.A N ALA 394.A O no hydrogen 2.747 N/A SER 407.A N GLU 412.A OE1 no hydrogen 2.773 N/A ARG 408.A N ASP 392.A O no hydrogen 2.678 N/A ARG 408.A NH1 ASP 392.A OD1 no hydrogen 3.168 N/A ARG 408.A NH1 ASP 442.A OD1 no hydrogen 2.751 N/A ARG 408.A NH1 ASP 442.A OD2 no hydrogen 3.533 N/A ARG 408.A NH2 ASP 442.A OD1 no hydrogen 3.388 N/A LEU 409.A N SER 407.A OG no hydrogen 3.141 N/A LYS 410.A N SER 407.A O no hydrogen 3.025 N/A GLY 411.A N ARG 408.A O no hydrogen 3.099 N/A GLU 412.A N SER 407.A O no hydrogen 3.371 N/A VAL 415.A N LEU 385.A O no hydrogen 2.721 N/A LEU 417.A N GLN 383.A O no hydrogen 2.761 N/A LEU 420.A N SER 379.A O no hydrogen 3.038 N/A LYS 421.A N ASP 424.A OD2 no hydrogen 3.076 N/A GLY 423.A N LEU 376.A O no hydrogen 2.927 N/A ASP 424.A N LYS 421.A O no hydrogen 3.091 N/A ARG 425.A N ASN 399.A OD1 no hydrogen 2.780 N/A LEU 426.A N THR 374.A O no hydrogen 2.879 N/A ASP 427.A N PHE 397.A O no hydrogen 2.861 N/A ILE 428.A N TYR 372.A O no hydrogen 2.840 N/A LEU 429.A N GLN 395.A O no hydrogen 2.941 N/A VAL 430.A N ILE 370.A O no hydrogen 2.801 N/A GLU 431.A N TRP 393.A O no hydrogen 2.751 N/A ALA 432.A N GLY 368.A O no hydrogen 2.884 N/A ARG 434.A N GLU 101.A OE1 no hydrogen 2.746 N/A ARG 434.A NE GLU 361.A OE2 no hydrogen 3.404 N/A ARG 434.A NE ASP 442.A O no hydrogen 2.995 N/A ARG 434.A NH1 GLU 101.A OE2 no hydrogen 2.834 N/A ARG 434.A NH1 GLY 366.A O no hydrogen 2.802 N/A ARG 434.A NH2 GLU 361.A OE2 no hydrogen 2.693 N/A ARG 434.A NH2 GLY 366.A O no hydrogen 2.884 N/A GLY 439.A N PHE 436.A O no hydrogen 2.943 N/A TYR 441.A N LYS 438.A O no hydrogen 3.148 N/A LYS 444.A N GLU 361.A OE2 no hydrogen 2.817 N/A LYS 444.A NZ ASP 392.A OD1 no hydrogen 3.045 N/A LYS 444.A NZ ASP 392.A OD2 no hydrogen 2.806 N/A LYS 444.A NZ GLY 433.A O no hydrogen 2.932 N/A LYS 444.A NZ ASP 442.A OD2 no hydrogen 2.662 N/A ILE 446.A N TYR 372.A OH no hydrogen 3.076 N/A THR 447.A N GLU 389.A O no hydrogen 3.041 N/A THR 447.A OG1 THR 388.A O no hydrogen 3.211 N/A THR 447.A OG1 GLU 389.A O no hydrogen 3.556 N/A GLU 448.A N THR 388.A O no hydrogen 3.321 N/A LYS 449.A NZ GLU 451.A OE1 no hydrogen 2.558 N/A GLU 451.A N LEU 386.A O no hydrogen 2.836 N/A LEU 452.A N GLU 459.A O no hydrogen 2.894 N/A GLN 453.A N THR 384.A O no hydrogen 2.833 N/A SER 454.A N GLY 457.A O no hydrogen 2.868 N/A LYS 456.A N SER 454.A OG no hydrogen 3.155 N/A GLY 457.A N SER 454.A O no hydrogen 3.054 N/A GLU 459.A N LEU 452.A O no hydrogen 2.981 N/A VAL 461.A N VAL 450.A O no hydrogen 2.843 N/A ASP 463.A N GLU 356.A O no hydrogen 2.687 N/A TRP 464.A N SER 355.A O no hydrogen 2.709 N/A TRP 464.A NE1 VAL 461.A O no hydrogen 3.012 N/A GLN 465.A N ARG 373.A O no hydrogen 2.752 N/A VAL 466.A N LYS 353.A O no hydrogen 2.615 N/A TYR 467.A N LEU 371.A O no hydrogen 2.878 N/A TYR 467.A OH GLN 465.A OE1 no hydrogen 3.398 N/A ILE 469.A N SER 369.A O no hydrogen 2.797 N/A TYR 473.A OH GLU 542.A OE1 no hydrogen 2.440 N/A TYR 473.A OH GLU 542.A OE2 no hydrogen 3.414 N/A PHE 475.A N ASP 472.A O no hydrogen 3.116 N/A ALA 476.A N ASP 472.A O no hydrogen 3.268 N/A ARG 477.A N TYR 473.A O no hydrogen 2.865 N/A ARG 477.A NH1 ARG 477.A O no hydrogen 3.173 N/A ASP 478.A N SER 474.A O no hydrogen 3.059 N/A LYS 479.A N ARG 477.A O no hydrogen 2.894 N/A LYS 479.A NZ PHE 475.A O no hydrogen 2.905 N/A LYS 479.A NZ ASP 478.A O no hydrogen 3.031 N/A GLN 480.A N ASN 348.A OD1 no hydrogen 3.093 N/A TYR 481.A N LYS 479.A O no hydrogen 3.039 N/A TYR 481.A OH ALA 476.A O no hydrogen 2.585 N/A ASN 484.A N ALA 548.A O no hydrogen 3.227 N/A ALA 487.A N ASP 547.A O no hydrogen 2.931 N/A TYR 488.A N ALA 343.A O no hydrogen 2.897 N/A TYR 489.A N ILE 545.A O no hydrogen 2.673 N/A ARG 490.A N GLU 342.A O no hydrogen 2.995 N/A ARG 490.A NE GLU 542.A OE2 no hydrogen 2.746 N/A ARG 490.A NH1 GLU 342.A OE1 no hydrogen 3.405 N/A ARG 490.A NH2 GLU 542.A OE2 no hydrogen 2.793 N/A SER 491.A N ILE 543.A O no hydrogen 3.110 N/A SER 491.A OG LYS 340.A O no hydrogen 2.602 N/A PHE 493.A N ASN 541.A O no hydrogen 2.758 N/A LEU 495.A N GLY 539.A O no hydrogen 2.701 N/A ASP 500.A N PRO 332.A O no hydrogen 2.694 N/A THR 501.A N VAL 531.A O no hydrogen 3.071 N/A THR 501.A OG1 ILE 334.A O no hydrogen 2.981 N/A THR 501.A OG1 LEU 558.A O no hydrogen 3.128 N/A PHE 502.A N LEU 558.A O no hydrogen 2.732 N/A LEU 503.A N LEU 529.A O no hydrogen 2.934 N/A ASN 504.A N GLU 556.A O no hydrogen 2.832 N/A ASN 504.A ND2 GLU 556.A OE2 no hydrogen 3.040 N/A ASN 505.A ND2 GLU 554.A O no hydrogen 2.970 N/A TRP 506.A NE1 GLU 554.A O no hydrogen 3.140 N/A SER 507.A N ASP 547.A OD1 no hydrogen 2.973 N/A SER 507.A OG ASP 547.A OD1 no hydrogen 2.895 N/A SER 507.A OG ASP 547.A OD2 no hydrogen 2.573 N/A LYS 508.A N SER 507.A OG no hydrogen 2.709 N/A LYS 508.A NZ GLU 431.A OE1 no hydrogen 2.552 N/A GLY 509.A N TYR 520.A O no hydrogen 3.211 N/A TRP 511.A N ILE 544.A O no hydrogen 2.939 N/A VAL 512.A N HIS 515.A O no hydrogen 2.907 N/A ASN 513.A N GLU 542.A O no hydrogen 2.880 N/A ASN 513.A ND2 TRP 535.A O no hydrogen 2.730 N/A ASN 513.A ND2 ASN 541.A OD1 no hydrogen 3.088 N/A HIS 515.A N VAL 512.A O no hydrogen 2.859 N/A ILE 517.A N VAL 510.A O no hydrogen 2.869 N/A TYR 520.A N GLY 509.A O no hydrogen 2.995 N/A TYR 520.A OH LEU 546.A O no hydrogen 3.269 N/A TYR 520.A OH ASP 547.A OD1 no hydrogen 2.620 N/A GLU 522.A N SER 507.A O no hydrogen 2.822 N/A GLY 524.A N TRP 521.A O no hydrogen 2.952 N/A GLN 526.A NE2 THR 528.A O no hydrogen 2.811 N/A GLN 527.A N ILE 562.A O no hydrogen 2.945 N/A GLN 527.A NE2 GLU 522.A O no hydrogen 2.988 N/A GLN 527.A NE2 VAL 565.A O no hydrogen 2.779 N/A THR 528.A OG1 ILE 562.A O no hydrogen 3.524 N/A LEU 529.A N LEU 503.A O no hydrogen 2.942 N/A TYR 530.A OH ASP 500.A OD2 no hydrogen 2.836 N/A VAL 531.A N THR 501.A O no hydrogen 2.838 N/A GLY 533.A N ASP 500.A OD1 no hydrogen 2.618 N/A CYS 534.A N TYR 37.A OH no hydrogen 3.244 N/A TRP 535.A N PRO 532.A O no hydrogen 2.792 N/A TRP 535.A NE1 GLU 36.A OE1 no hydrogen 3.256 N/A LEU 536.A N GLY 533.A O no hydrogen 2.890 N/A LYS 537.A N ASN 541.A OD1 no hydrogen 2.800 N/A LYS 538.A NZ ASN 496.A O no hydrogen 3.310 N/A GLY 539.A N LEU 495.A O no hydrogen 2.616 N/A ASN 541.A N PHE 493.A O no hydrogen 2.653 N/A ASN 541.A ND2 PHE 493.A O no hydrogen 3.510 N/A ASN 541.A ND2 LYS 537.A O no hydrogen 2.756 N/A ASN 541.A ND2 GLY 539.A O no hydrogen 3.136 N/A GLU 542.A N ASN 513.A OD1 no hydrogen 2.924 N/A ILE 543.A N SER 491.A O no hydrogen 2.922 N/A ILE 544.A N TRP 511.A O no hydrogen 2.919 N/A ILE 545.A N TYR 489.A O no hydrogen 2.798 N/A ASP 547.A N ALA 487.A O no hydrogen 2.967 N/A GLY 549.A N ASP 547.A OD2 no hydrogen 2.619 N/A SER 551.A N ASN 505.A O no hydrogen 2.734 N/A GLU 554.A N LYS 552.A O no hydrogen 2.881 N/A THR 555.A N ILE 339.A O no hydrogen 3.012 N/A THR 555.A OG1 ASN 504.A O no hydrogen 2.883 N/A GLY 557.A N ILE 336.A O no hydrogen 2.834 N/A LEU 558.A N PHE 502.A O no hydrogen 2.800 N/A ARG 559.A NE THR 333.A OG1 no hydrogen 3.075 N/A ILE 562.A N THR 528.A OG1 no hydrogen 2.776 N/A VAL 565.A N PRO 525.A O no hydrogen 2.990 N/A ARG 567.A N ILE 523.A O no hydrogen 3.104 N/A ARG 567.A NE GLU 522.A O no hydrogen 2.951 N/A ARG 567.A NH2 GLN 527.A OE1 no hydrogen 3.230 N/A TYR 572.A OH TRP 239.A O no hydrogen 2.647 N/A TYR 572.A OH SER 285.A OG no hydrogen 2.589 N/A LYS 576.A N ALA 573.A O no hydrogen 2.737 N/A HIS 582.A NE2 GLU 578.A O no hydrogen 2.721 N/A