Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wkd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLU 178.A O no hydrogen 2.733 N/A ALA 4.A N GLU 178.A O no hydrogen 3.003 N/A ALA 5.A N THR 117.A O no hydrogen 2.867 N/A VAL 6.A N VAL 180.A O no hydrogen 2.815 N/A PHE 7.A N ALA 119.A O no hydrogen 2.804 N/A ASP 8.A N LEU 182.A O no hydrogen 2.950 N/A GLY 11.A N ALA 14.A O no hydrogen 2.855 N/A VAL 12.A N LEU 9.A O no hydrogen 2.749 N/A LEU 13.A N ASP 8.A O no hydrogen 3.253 N/A ALA 14.A N LEU 9.A O no hydrogen 3.196 N/A LEU 15.A N LYS 99.A O no hydrogen 2.857 N/A VAL 18.A N ASP 10.A OD1 no hydrogen 3.131 N/A VAL 18.A N ASP 10.A OD2 no hydrogen 2.806 N/A LEU 22.A N VAL 18.A O no hydrogen 3.250 N/A GLY 23.A N PHE 19.A O no hydrogen 3.018 N/A ARG 24.A N GLY 20.A O no hydrogen 3.284 N/A THR 25.A N VAL 21.A O no hydrogen 2.741 N/A THR 25.A OG1 VAL 21.A O no hydrogen 3.246 N/A GLU 26.A N LEU 22.A O no hydrogen 3.364 N/A GLU 27.A N GLY 23.A O no hydrogen 3.404 N/A ALA 28.A N ARG 24.A O no hydrogen 2.749 N/A LEU 29.A N THR 25.A O no hydrogen 2.809 N/A ALA 30.A N GLU 27.A O no hydrogen 2.894 N/A LEU 31.A N GLU 26.A O no hydrogen 2.663 N/A ARG 33.A NH1 GLU 27.A OE2 no hydrogen 3.404 N/A ARG 33.A NH2 GLU 27.A OE2 no hydrogen 3.420 N/A GLY 34.A N GLU 26.A OE1 no hydrogen 2.790 N/A LEU 35.A N PRO 32.A O no hydrogen 3.068 N/A ASP 38.A N GLY 34.A O no hydrogen 2.871 N/A ALA 39.A N LEU 35.A O no hydrogen 3.044 N/A PHE 40.A N LEU 36.A O no hydrogen 3.090 N/A GLN 41.A N ASN 37.A O no hydrogen 3.024 N/A LYS 42.A N ALA 39.A O no hydrogen 3.057 N/A GLY 44.A N GLN 41.A O no hydrogen 3.072 N/A GLU 46.A N GLY 43.A O no hydrogen 3.136 N/A GLY 47.A N GLY 44.A O no hydrogen 2.690 N/A THR 49.A OG1 PHE 40.A O no hydrogen 2.540 N/A THR 50.A OG1 GLY 44.A O no hydrogen 3.360 N/A ARG 51.A N GLY 47.A O no hydrogen 3.237 N/A ARG 51.A NH2 GLU 56.A OE2 no hydrogen 2.645 N/A LEU 52.A N ALA 48.A O no hydrogen 3.149 N/A MET 53.A N THR 49.A O no hydrogen 3.064 N/A LYS 54.A N THR 50.A O no hydrogen 2.831 N/A LYS 54.A NZ GLU 161.A OE1 no hydrogen 2.563 N/A LYS 54.A NZ GLU 161.A OE2 no hydrogen 3.387 N/A GLY 55.A N LEU 52.A O no hydrogen 2.826 N/A GLU 56.A N ARG 51.A O no hydrogen 2.747 N/A ILE 57.A N ARG 51.A O no hydrogen 3.440 N/A THR 58.A N GLN 61.A OE1 no hydrogen 2.597 N/A THR 58.A OG1 GLN 61.A OE1 no hydrogen 3.217 N/A THR 58.A OG1 ASP 128.A OD1 no hydrogen 3.444 N/A THR 58.A OG1 ASP 128.A OD2 no hydrogen 2.578 N/A LEU 59.A N LEU 126.A O no hydrogen 2.939 N/A SER 60.A N ASP 128.A OD1 no hydrogen 2.806 N/A SER 60.A OG ASP 128.A OD1 no hydrogen 2.582 N/A TRP 62.A N THR 58.A O no hydrogen 3.155 N/A TRP 62.A N LEU 59.A O no hydrogen 3.124 N/A TRP 62.A NE1 THR 49.A OG1 no hydrogen 2.861 N/A ILE 63.A N LEU 59.A O no hydrogen 3.019 N/A MET 66.A N TRP 62.A O no hydrogen 2.979 N/A GLU 67.A N ILE 63.A O no hydrogen 3.071 N/A GLU 68.A N LEU 65.A O no hydrogen 3.023 N/A ASN 69.A N LEU 65.A O no hydrogen 2.999 N/A ASN 69.A ND2 ALA 39.A O no hydrogen 3.385 N/A CYS 70.A N MET 66.A O no hydrogen 2.815 N/A CYS 70.A N GLU 67.A O no hydrogen 3.025 N/A CYS 70.A SG MET 66.A O no hydrogen 3.301 N/A ARG 71.A N GLU 67.A O no hydrogen 2.889 N/A ARG 71.A NE GLU 68.A OE1 no hydrogen 3.256 N/A LYS 72.A N GLU 68.A O no hydrogen 2.821 N/A CYS 73.A N ASN 69.A O no hydrogen 3.303 N/A SER 74.A N ARG 71.A O no hydrogen 3.027 N/A SER 74.A OG CYS 70.A O no hydrogen 3.165 N/A SER 74.A OG ARG 71.A O no hydrogen 2.777 N/A GLU 75.A N ARG 71.A O no hydrogen 2.959 N/A THR 76.A N LYS 72.A O no hydrogen 3.043 N/A ALA 77.A N CYS 73.A O no hydrogen 3.140 N/A LYS 78.A N GLU 75.A O no hydrogen 2.982 N/A VAL 79.A N SER 74.A O no hydrogen 3.141 N/A PHE 85.A N PRO 82.A O no hydrogen 3.120 N/A LYS 88.A NZ ASP 92.A OD1 no hydrogen 3.274 N/A LYS 88.A NZ ASP 92.A OD2 no hydrogen 2.848 N/A LYS 88.A NZ GLU 131.A OE1 no hydrogen 2.632 N/A LYS 88.A NZ GLU 131.A OE2 no hydrogen 3.160 N/A GLU 89.A N SER 86.A OG no hydrogen 3.182 N/A ILE 90.A N SER 86.A O no hydrogen 2.923 N/A PHE 91.A N ILE 87.A O no hydrogen 3.034 N/A ASP 92.A N LYS 88.A O no hydrogen 2.820 N/A LYS 93.A N GLU 89.A O no hydrogen 2.984 N/A ALA 94.A N ILE 90.A O no hydrogen 2.747 N/A ILE 95.A N PHE 91.A O no hydrogen 2.722 N/A SER 96.A N ASP 92.A O no hydrogen 2.937 N/A SER 96.A OG ASP 92.A O no hydrogen 2.826 N/A SER 96.A OG LYS 93.A O no hydrogen 3.245 N/A ALA 97.A N LYS 93.A O no hydrogen 3.057 N/A ARG 98.A N ALA 94.A O no hydrogen 3.227 N/A ARG 98.A N ILE 95.A O no hydrogen 3.311 N/A ARG 98.A NH1 ASP 10.A OD1 no hydrogen 2.479 N/A LYS 99.A N LEU 15.A O no hydrogen 2.586 N/A ASN 101.A N LEU 13.A O no hydrogen 2.845 N/A ASN 101.A ND2 VAL 12.A O no hydrogen 3.080 N/A ASN 101.A ND2 THR 205.A OG1 no hydrogen 3.084 N/A ARG 102.A NH1 GLU 141.A OE1 no hydrogen 3.539 N/A ARG 102.A NH1 GLU 141.A OE2 no hydrogen 3.255 N/A ARG 102.A NH2 GLU 141.A OE2 no hydrogen 2.712 N/A LEU 105.A N ASN 101.A O no hydrogen 3.236 N/A GLN 106.A N ARG 102.A O no hydrogen 2.901 N/A ALA 107.A N PRO 103.A O no hydrogen 2.963 N/A ALA 108.A N MET 104.A O no hydrogen 2.837 N/A LEU 109.A N LEU 105.A O no hydrogen 2.692 N/A MET 110.A N GLN 106.A O no hydrogen 2.964 N/A LEU 111.A N ALA 107.A O no hydrogen 3.104 N/A ARG 112.A N ALA 108.A O no hydrogen 2.950 N/A ARG 112.A NE HIS 145.A O no hydrogen 3.105 N/A ARG 112.A NH2 ASP 147.A OD2 no hydrogen 2.725 N/A LYS 113.A N LEU 109.A O no hydrogen 2.896 N/A LYS 114.A N MET 110.A O no hydrogen 2.752 N/A GLY 115.A N ARG 112.A O no hydrogen 2.609 N/A PHE 116.A N LEU 111.A O no hydrogen 3.041 N/A THR 117.A N ARG 3.A O no hydrogen 2.892 N/A THR 118.A N ASP 147.A OD1 no hydrogen 3.087 N/A ALA 119.A N ALA 5.A O no hydrogen 2.888 N/A ILE 120.A N PHE 148.A O no hydrogen 2.914 N/A LEU 121.A N PHE 7.A O no hydrogen 2.972 N/A THR 122.A N ILE 150.A O no hydrogen 3.016 N/A ASN 123.A ND2 LYS 159.A O no hydrogen 2.948 N/A THR 124.A N SER 152.A OG no hydrogen 2.791 N/A TRP 125.A N THR 124.A OG1 no hydrogen 2.791 N/A TRP 125.A NE1 ASP 127.A OD2 no hydrogen 3.254 N/A ARG 129.A N ASP 127.A OD1 no hydrogen 3.004 N/A ARG 129.A NE ASP 92.A OD1 no hydrogen 3.098 N/A ARG 129.A NH1 ASP 92.A OD1 no hydrogen 3.302 N/A ARG 129.A NH2 ASP 127.A OD1 no hydrogen 3.439 N/A ARG 129.A NH2 ASP 127.A OD2 no hydrogen 2.556 N/A ARG 132.A N ARG 129.A O no hydrogen 2.931 N/A ARG 132.A NH2 ARG 129.A O no hydrogen 3.127 N/A GLY 134.A N GLU 131.A O no hydrogen 3.266 N/A ALA 136.A N ARG 132.A O no hydrogen 3.148 N/A GLN 137.A N ASP 133.A O no hydrogen 2.851 N/A GLN 137.A NE2 ASP 133.A OD1 no hydrogen 2.928 N/A LEU 138.A N GLY 134.A O no hydrogen 3.230 N/A MET 139.A N LEU 135.A O no hydrogen 2.771 N/A CYS 140.A N ALA 136.A O no hydrogen 2.796 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.567 N/A GLU 141.A N GLN 137.A O no hydrogen 2.955 N/A LEU 142.A N LEU 138.A O no hydrogen 3.065 N/A LYS 143.A N MET 139.A O no hydrogen 2.880 N/A HIS 145.A N LEU 142.A O no hydrogen 2.901 N/A PHE 146.A N LYS 143.A O no hydrogen 2.799 N/A ASP 147.A N THR 118.A O no hydrogen 3.093 N/A PHE 148.A N THR 118.A O no hydrogen 3.297 N/A ILE 150.A N ILE 120.A O no hydrogen 2.703 N/A SER 152.A N THR 122.A O no hydrogen 2.769 N/A SER 152.A OG MET 53.A O no hydrogen 2.597 N/A CYS 153.A SG THR 124.A O no hydrogen 3.220 N/A GLN 154.A N GLU 151.A O no hydrogen 2.812 N/A VAL 155.A N GLU 151.A O no hydrogen 3.213 N/A VAL 155.A N SER 152.A O no hydrogen 3.314 N/A GLY 156.A N SER 152.A O no hydrogen 2.932 N/A VAL 158.A N GLU 161.A OE2 no hydrogen 3.183 N/A LYS 159.A N ASN 123.A OD1 no hydrogen 2.880 N/A LYS 159.A NZ ASP 8.A OD1 no hydrogen 2.603 N/A LYS 159.A NZ LEU 121.A O no hydrogen 2.715 N/A LYS 159.A NZ ASP 183.A OD2 no hydrogen 2.922 N/A GLN 163.A NE2 GLU 161.A OE2 no hydrogen 2.586 N/A TYR 165.A OH ASN 188.A O no hydrogen 2.655 N/A PHE 167.A N GLN 163.A O no hydrogen 2.980 N/A LEU 168.A N ILE 164.A O no hydrogen 2.707 N/A LEU 169.A N TYR 165.A O no hydrogen 2.893 N/A ASP 170.A N LYS 166.A O no hydrogen 2.790 N/A THR 171.A N PHE 167.A O no hydrogen 2.682 N/A THR 171.A OG1 PHE 167.A O no hydrogen 2.667 N/A LEU 172.A N LEU 168.A O no hydrogen 2.944 N/A LYS 173.A N ASP 170.A O no hydrogen 3.245 N/A ALA 174.A N LEU 169.A O no hydrogen 3.352 N/A GLU 178.A N SER 175.A O no hydrogen 2.685 N/A VAL 180.A N ALA 4.A O no hydrogen 3.104 N/A PHE 181.A N VAL 198.A O no hydrogen 3.136 N/A LEU 182.A N VAL 6.A O no hydrogen 2.898 N/A ASP 183.A N ILE 200.A O no hydrogen 3.189 N/A ILE 185.A N ASP 183.A OD1 no hydrogen 2.786 N/A ASN 188.A N ILE 185.A O no hydrogen 2.930 N/A ASN 188.A ND2 ASP 183.A OD1 no hydrogen 3.234 N/A ASN 188.A ND2 ASP 183.A OD2 no hydrogen 3.246 N/A LEU 189.A N GLY 186.A O no hydrogen 2.889 N/A LYS 190.A N GLY 186.A O no hydrogen 3.044 N/A ARG 193.A N LEU 189.A O no hydrogen 2.906 N/A ASP 194.A N LYS 190.A O no hydrogen 3.377 N/A LEU 195.A N PRO 191.A O no hydrogen 3.466 N/A GLY 196.A N ARG 193.A O no hydrogen 2.618 N/A MET 197.A N ALA 192.A O no hydrogen 2.986 N/A VAL 198.A N VAL 179.A O no hydrogen 3.016 N/A ILE 200.A N PHE 181.A O no hydrogen 3.065 N/A VAL 202.A N ASP 183.A O no hydrogen 2.929 N/A THR 207.A N ASP 204.A OD1 no hydrogen 3.148 N/A THR 207.A OG1 ASP 204.A OD1 no hydrogen 2.205 N/A THR 207.A OG1 ASP 204.A OD2 no hydrogen 2.644 N/A LEU 209.A N THR 205.A O no hydrogen 2.825 N/A LYS 210.A N ASP 206.A O no hydrogen 2.917 N/A GLU 211.A N THR 207.A O no hydrogen 2.859 N/A LEU 212.A N ALA 208.A O no hydrogen 2.874 N/A GLU 213.A N LEU 209.A O no hydrogen 2.773 N/A LYS 214.A N LYS 210.A O no hydrogen 2.742 N/A VAL 215.A N GLU 211.A O no hydrogen 2.833 N/A THR 216.A N LEU 212.A O no hydrogen 3.065 N/A THR 216.A OG1 LEU 212.A O no hydrogen 2.811 N/A GLY 217.A N GLU 213.A O no hydrogen 2.929 N/A ILE 218.A N THR 216.A OG1 no hydrogen 3.233 N/A LEU 220.A N GLU 213.A OE2 no hydrogen 2.508 N/A LEU 221.A N GLU 213.A OE2 no hydrogen 2.592 N/A CYS 231.A N SER 230.A OG no hydrogen 2.677 N/A CYS 231.A SG ARG 274.A O no hydrogen 3.598 N/A ASP 235.A N ASN 232.A O no hydrogen 2.858 N/A MET 236.A N PRO 233.A O no hydrogen 3.087 N/A HIS 238.A ND1 HIS 250.A NE2 no hydrogen 2.788 N/A HIS 238.A NE2 PRO 233.A O no hydrogen 2.986 N/A GLY 239.A N PHE 251.A O no hydrogen 2.768 N/A TYR 240.A OH GLU 297.A OE2 no hydrogen 2.667 N/A VAL 241.A N LEU 249.A O no hydrogen 3.088 N/A VAL 243.A N VAL 247.A O no hydrogen 2.952 N/A LYS 244.A NZ GLU 306.A OE1 no hydrogen 2.973 N/A LYS 244.A NZ GLU 315.A OE2 no hydrogen 2.577 N/A VAL 247.A N LYS 244.A O no hydrogen 2.931 N/A ARG 248.A N SER 299.A OG no hydrogen 2.793 N/A LEU 249.A N VAL 241.A O no hydrogen 2.802 N/A HIS 250.A N SER 298.A OG no hydrogen 2.840 N/A HIS 250.A ND1 ASP 291.A OD2 no hydrogen 2.785 N/A HIS 250.A NE2 HIS 238.A ND1 no hydrogen 2.788 N/A PHE 251.A N GLY 239.A O no hydrogen 3.020 N/A VAL 252.A N ALA 289.A O no hydrogen 3.121 N/A GLU 253.A N SER 237.A O no hydrogen 3.114 N/A LEU 254.A N VAL 287.A O no hydrogen 3.052 N/A VAL 260.A N ARG 286.A O no hydrogen 2.716 N/A CYS 261.A N VAL 329.A O no hydrogen 2.636 N/A LEU 262.A N LEU 288.A O no hydrogen 2.811 N/A CYS 263.A N ILE 331.A O no hydrogen 2.801 N/A CYS 263.A SG CYS 261.A O no hydrogen 3.865 N/A HIS 264.A ND1 GLY 265.A O no hydrogen 2.795 N/A PHE 266.A N ASP 334.A OD1 no hydrogen 2.987 N/A GLU 268.A N GLY 265.A O no hydrogen 2.980 N/A TRP 270.A N ASP 291.A OD1 no hydrogen 3.167 N/A TYR 271.A N SER 269.A OG no hydrogen 2.938 N/A SER 272.A N SER 269.A O no hydrogen 2.937 N/A SER 272.A OG GLU 268.A OE2 no hydrogen 2.546 N/A SER 272.A OG TYR 449.A OH no hydrogen 2.969 N/A TRP 273.A N TRP 270.A O no hydrogen 2.990 N/A ARG 274.A N TYR 271.A O no hydrogen 2.928 N/A ARG 274.A NE GLU 445.A OE2 no hydrogen 2.838 N/A ARG 274.A NH2 TYR 271.A O no hydrogen 2.926 N/A ARG 274.A NH2 TYR 449.A OH no hydrogen 2.972 N/A GLN 276.A N TRP 273.A O no hydrogen 2.969 N/A ILE 277.A N TRP 273.A O no hydrogen 3.088 N/A LEU 280.A N GLN 276.A O no hydrogen 2.898 N/A ALA 281.A N ILE 277.A O no hydrogen 3.224 N/A GLN 282.A N PRO 278.A O no hydrogen 2.876 N/A ALA 283.A N ALA 279.A O no hydrogen 2.895 N/A GLY 284.A N ALA 281.A O no hydrogen 2.788 N/A TYR 285.A N LEU 280.A O no hydrogen 2.921 N/A TYR 285.A OH ASP 542.A OD1 no hydrogen 3.128 N/A ARG 286.A N PRO 258.A O no hydrogen 3.148 N/A ARG 286.A NH2 GLU 253.A OE2 no hydrogen 2.550 N/A VAL 287.A N LEU 254.A O no hydrogen 2.628 N/A LEU 288.A N VAL 260.A O no hydrogen 2.659 N/A ALA 289.A N VAL 252.A O no hydrogen 2.872 N/A MET 290.A N LEU 262.A O no hydrogen 3.083 N/A ASP 291.A N HIS 250.A O no hydrogen 2.871 N/A MET 292.A N HIS 264.A NE2 no hydrogen 3.180 N/A LYS 293.A NZ GLU 306.A O no hydrogen 2.643 N/A LYS 293.A NZ GLU 306.A OE1 no hydrogen 2.840 N/A LYS 293.A NZ GLU 315.A OE1 no hydrogen 3.090 N/A LYS 293.A NZ GLU 315.A OE2 no hydrogen 3.056 N/A GLY 294.A N SER 299.A O no hydrogen 3.053 N/A TYR 295.A N MET 292.A O no hydrogen 3.121 N/A GLU 297.A N ASP 291.A OD2 no hydrogen 3.009 N/A SER 298.A N TYR 295.A O no hydrogen 2.957 N/A SER 298.A OG ASP 291.A O no hydrogen 2.604 N/A SER 299.A N ARG 248.A O no hydrogen 2.886 N/A SER 299.A OG ARG 248.A O no hydrogen 3.362 N/A GLU 303.A N GLU 303.A OE1 no hydrogen 2.908 N/A GLU 306.A N GLU 303.A O no hydrogen 3.342 N/A TYR 307.A N ILE 304.A O no hydrogen 3.161 N/A TYR 307.A OH PRO 301.A O no hydrogen 2.652 N/A CYS 308.A N GLU 305.A O no hydrogen 3.345 N/A CYS 308.A SG GLU 305.A O no hydrogen 3.419 N/A MET 309.A N ASN 471.A OD1 no hydrogen 2.661 N/A LEU 312.A N CYS 308.A O no hydrogen 3.052 N/A CYS 313.A N MET 309.A O no hydrogen 2.720 N/A CYS 313.A SG MET 309.A O no hydrogen 3.411 N/A CYS 313.A SG LEU 339.A O no hydrogen 4.020 N/A LYS 314.A N GLU 310.A O no hydrogen 2.911 N/A LYS 314.A NZ GLU 310.A OE2 no hydrogen 3.290 N/A GLU 315.A N VAL 311.A O no hydrogen 2.991 N/A MET 316.A N LEU 312.A O no hydrogen 3.121 N/A VAL 317.A N CYS 313.A O no hydrogen 3.011 N/A THR 318.A N LYS 314.A O no hydrogen 2.815 N/A THR 318.A OG1 LYS 314.A O no hydrogen 3.095 N/A PHE 319.A N GLU 315.A O no hydrogen 3.045 N/A PHE 319.A N MET 316.A O no hydrogen 3.176 N/A LEU 320.A N MET 316.A O no hydrogen 3.144 N/A ASP 321.A N VAL 317.A O no hydrogen 2.984 N/A LYS 322.A N THR 318.A O no hydrogen 2.974 N/A LYS 322.A NZ THR 242.A O no hydrogen 3.532 N/A LEU 323.A N PHE 319.A O no hydrogen 3.166 N/A LEU 323.A N LEU 320.A O no hydrogen 2.959 N/A GLY 324.A N ASP 321.A O no hydrogen 2.950 N/A LEU 325.A N LEU 320.A O no hydrogen 3.019 N/A GLN 327.A NE2 GLU 349.A O no hydrogen 2.818 N/A ALA 328.A N ARG 350.A O no hydrogen 3.104 N/A VAL 329.A N ALA 259.A O no hydrogen 2.865 N/A PHE 330.A N ALA 353.A O no hydrogen 2.951 N/A ILE 331.A N CYS 261.A O no hydrogen 3.088 N/A GLY 332.A N ALA 355.A O no hydrogen 2.867 N/A HIS 333.A N CYS 263.A O no hydrogen 3.115 N/A HIS 333.A NE2 HIS 523.A O no hydrogen 2.641 N/A GLY 337.A N HIS 333.A O no hydrogen 3.246 N/A GLY 337.A N ASP 334.A O no hydrogen 2.742 N/A MET 338.A N ASP 334.A O no hydrogen 3.165 N/A LEU 339.A N TRP 335.A O no hydrogen 3.088 N/A VAL 340.A N GLY 336.A O no hydrogen 2.970 N/A TRP 341.A N GLY 337.A O no hydrogen 3.300 N/A TRP 341.A NE1 THR 359.A O no hydrogen 2.962 N/A TYR 342.A N MET 338.A O no hydrogen 3.210 N/A MET 343.A N LEU 339.A O no hydrogen 2.909 N/A ALA 344.A N VAL 340.A O no hydrogen 2.902 N/A LEU 345.A N TRP 341.A O no hydrogen 2.986 N/A PHE 346.A N TYR 342.A O no hydrogen 2.879 N/A TYR 347.A N MET 343.A O no hydrogen 2.772 N/A GLU 349.A N GLU 349.A OE2 no hydrogen 2.761 N/A ARG 350.A N TYR 347.A O no hydrogen 2.886 N/A ARG 350.A NE SER 326.A O no hydrogen 2.639 N/A ARG 350.A NH1 ASP 321.A OD1 no hydrogen 3.113 N/A ARG 350.A NH1 LEU 325.A O no hydrogen 2.713 N/A ARG 350.A NH1 SER 326.A O no hydrogen 3.542 N/A ARG 350.A NH2 ASP 321.A OD1 no hydrogen 2.757 N/A VAL 351.A N PRO 348.A O no hydrogen 3.182 N/A ARG 352.A N ALA 328.A O no hydrogen 3.076 N/A ARG 352.A NE ARG 352.A O no hydrogen 2.982 N/A VAL 354.A N PRO 486.A O no hydrogen 2.877 N/A ALA 355.A N PHE 330.A O no hydrogen 2.793 N/A SER 356.A N LEU 488.A O no hydrogen 3.192 N/A SER 356.A OG LEU 357.A O no hydrogen 3.568 N/A SER 356.A OG THR 359.A O no hydrogen 2.530 N/A LEU 357.A N GLY 332.A O no hydrogen 2.812 N/A ASN 358.A N VAL 490.A O no hydrogen 2.718 N/A ASN 358.A ND2 ASP 495.A OD2 no hydrogen 2.682 N/A THR 359.A N LEU 357.A O no hydrogen 2.687 N/A THR 359.A OG1 ASP 334.A O no hydrogen 2.803 N/A ASN 367.A N ASN 365.A OD1 no hydrogen 2.768 N/A MET 368.A N ASN 365.A O no hydrogen 3.213 N/A SER 369.A OG GLU 372.A OE2 no hydrogen 3.353 N/A SER 373.A N SER 369.A O no hydrogen 3.337 N/A SER 373.A OG SER 369.A O no hydrogen 3.168 N/A ILE 374.A N PRO 370.A O no hydrogen 3.240 N/A LYS 375.A N LEU 371.A O no hydrogen 3.013 N/A ALA 376.A N GLU 372.A O no hydrogen 3.133 N/A ALA 376.A N SER 373.A O no hydrogen 3.280 N/A ASN 377.A N ILE 374.A O no hydrogen 3.159 N/A PHE 380.A N ASN 377.A O no hydrogen 3.007 N/A ASP 381.A N PRO 378.A O no hydrogen 3.155 N/A GLN 383.A N PHE 380.A O no hydrogen 2.959 N/A LEU 384.A N ASP 381.A O no hydrogen 2.803 N/A TYR 385.A N ASP 381.A O no hydrogen 3.272 N/A TYR 385.A OH GLU 395.A OE1 no hydrogen 2.518 N/A PHE 386.A N GLN 383.A O no hydrogen 3.087 N/A GLN 387.A N LEU 384.A O no hydrogen 3.060 N/A GLN 387.A NE2 GLN 383.A O no hydrogen 3.032 N/A GLN 387.A NE2 TYR 465.A O no hydrogen 2.970 N/A GLY 390.A N GLU 393.A OE1 no hydrogen 2.920 N/A VAL 391.A N GLU 388.A O no hydrogen 3.318 N/A GLU 393.A N GLU 393.A OE1 no hydrogen 2.770 N/A ALA 394.A N GLY 390.A O no hydrogen 2.862 N/A GLU 395.A N VAL 391.A O no hydrogen 3.242 N/A LEU 396.A N ALA 392.A O no hydrogen 2.818 N/A GLU 397.A N GLU 393.A O no hydrogen 2.715 N/A GLN 398.A N GLU 395.A O no hydrogen 3.004 N/A ARG 402.A N ASN 399.A OD1 no hydrogen 3.212 N/A ARG 402.A NE PRO 432.A O no hydrogen 2.926 N/A ARG 402.A NH1 SER 431.A O no hydrogen 2.718 N/A ARG 402.A NH1 PRO 432.A O no hydrogen 3.480 N/A THR 403.A N ASN 399.A O no hydrogen 2.894 N/A THR 403.A OG1 LEU 396.A O no hydrogen 2.790 N/A THR 403.A OG1 ASN 399.A O no hydrogen 3.046 N/A PHE 404.A N LEU 400.A O no hydrogen 3.148 N/A LYS 405.A N SER 401.A O no hydrogen 2.894 N/A LYS 405.A NZ GLU 443.A OE1 no hydrogen 2.536 N/A LYS 405.A NZ GLU 443.A OE2 no hydrogen 3.519 N/A SER 406.A N ARG 402.A O no hydrogen 2.659 N/A SER 406.A OG ARG 402.A O no hydrogen 2.782 N/A LEU 407.A N THR 403.A O no hydrogen 3.118 N/A PHE 408.A N PHE 404.A O no hydrogen 2.794 N/A ARG 409.A N LEU 407.A O no hydrogen 2.816 N/A ARG 409.A NE GLU 413.A O no hydrogen 2.766 N/A ARG 409.A NH1 SER 436.A O no hydrogen 2.843 N/A ARG 409.A NH2 LYS 405.A O no hydrogen 2.583 N/A ARG 409.A NH2 SER 436.A O no hydrogen 2.815 N/A ALA 410.A N GLU 413.A OE2 no hydrogen 2.948 N/A GLU 413.A N ALA 410.A O no hydrogen 3.199 N/A CYS 422.A N ASP 381.A OD2 no hydrogen 2.817 N/A CYS 422.A SG ASP 381.A OD1 no hydrogen 3.341 N/A ALA 424.A N LYS 420.A O no hydrogen 2.958 N/A GLY 425.A N CYS 422.A O no hydrogen 2.798 N/A GLY 426.A N VAL 421.A O no hydrogen 3.089 N/A LEU 427.A N GLU 395.A OE1 no hydrogen 2.926 N/A PHE 428.A N GLU 395.A OE2 no hydrogen 2.701 N/A SER 431.A N PHE 428.A O no hydrogen 2.995 N/A SER 431.A OG PHE 428.A O no hydrogen 2.802 N/A SER 438.A OG GLU 413.A OE2 no hydrogen 2.743 N/A ARG 439.A N GLU 413.A OE1 no hydrogen 3.131 N/A ARG 439.A NH2 ASP 528.A OD1 no hydrogen 3.487 N/A MET 440.A N SER 438.A OG no hydrogen 2.969 N/A VAL 441.A N SER 438.A O no hydrogen 3.212 N/A THR 442.A N GLU 445.A OE1 no hydrogen 2.939 N/A GLU 445.A N THR 442.A OG1 no hydrogen 3.175 N/A ILE 446.A N THR 442.A O no hydrogen 3.324 N/A GLN 447.A N GLU 443.A O no hydrogen 3.080 N/A GLN 447.A NE2 SER 401.A OG no hydrogen 3.396 N/A GLN 447.A NE2 GLU 443.A OE2 no hydrogen 2.969 N/A PHE 448.A N GLU 444.A O no hydrogen 2.988 N/A TYR 449.A N GLU 445.A O no hydrogen 3.265 N/A TYR 449.A OH SER 272.A OG no hydrogen 2.969 N/A VAL 450.A N ILE 446.A O no hydrogen 2.829 N/A GLN 451.A N GLN 447.A O no hydrogen 2.756 N/A GLN 452.A N PHE 448.A O no hydrogen 2.890 N/A PHE 453.A N TYR 449.A O no hydrogen 2.860 N/A LYS 454.A N VAL 450.A O no hydrogen 3.240 N/A LYS 455.A N GLN 452.A O no hydrogen 2.933 N/A GLY 457.A N PHE 453.A O no hydrogen 2.650 N/A PHE 458.A N GLU 397.A OE2 no hydrogen 2.987 N/A ARG 459.A NE PRO 302.A O no hydrogen 2.877 N/A ARG 459.A NH1 PRO 302.A O no hydrogen 3.491 N/A LEU 462.A N PHE 458.A O no hydrogen 2.792 N/A ASN 463.A N ARG 459.A O no hydrogen 2.903 N/A ASN 463.A ND2 PRO 302.A O no hydrogen 3.001 N/A ASN 463.A ND2 GLU 303.A O no hydrogen 3.449 N/A TRP 464.A N PRO 461.A O no hydrogen 3.120 N/A TRP 464.A NE1 LYS 293.A O no hydrogen 2.993 N/A TYR 465.A N LEU 462.A O no hydrogen 2.909 N/A ARG 466.A N ASN 463.A O no hydrogen 2.832 N/A ARG 466.A NE PHE 386.A O no hydrogen 2.652 N/A ARG 466.A NE GLN 387.A O no hydrogen 3.200 N/A ARG 466.A NH1 PHE 386.A O no hydrogen 2.829 N/A ARG 466.A NH1 GLU 393.A OE1 no hydrogen 3.020 N/A ARG 466.A NH1 GLU 393.A OE2 no hydrogen 3.512 N/A ARG 466.A NH2 GLU 393.A OE2 no hydrogen 2.925 N/A ARG 466.A NH2 ASN 463.A OD1 no hydrogen 2.971 N/A ASN 467.A ND2 ILE 304.A O no hydrogen 3.000 N/A ASN 471.A N ASN 467.A O no hydrogen 2.843 N/A TRP 472.A N MET 468.A O no hydrogen 2.797 N/A TRP 472.A NE1 ASN 365.A O no hydrogen 2.804 N/A LYS 473.A N GLU 469.A O no hydrogen 3.030 N/A TRP 474.A N ARG 470.A O no hydrogen 3.139 N/A ALA 475.A N ASN 471.A O no hydrogen 2.884 N/A CYS 476.A N TRP 472.A O no hydrogen 2.935 N/A CYS 476.A SG TRP 472.A O no hydrogen 3.292 N/A LYS 477.A N TRP 474.A O no hydrogen 3.121 N/A SER 478.A N ALA 475.A O no hydrogen 2.748 N/A SER 478.A OG ALA 475.A O no hydrogen 2.784 N/A LEU 479.A N CYS 476.A O no hydrogen 3.189 N/A ARG 481.A N SER 478.A O no hydrogen 3.061 N/A ARG 481.A NE LEU 345.A O no hydrogen 3.394 N/A ARG 481.A NH1 LEU 345.A O no hydrogen 2.998 N/A ILE 483.A N TRP 509.A O no hydrogen 2.915 N/A LEU 488.A N VAL 354.A O no hydrogen 3.027 N/A MET 489.A N LYS 514.A O no hydrogen 2.745 N/A VAL 490.A N SER 356.A O no hydrogen 3.052 N/A THR 491.A N GLY 516.A O no hydrogen 2.968 N/A THR 491.A OG1 GLY 516.A O no hydrogen 3.346 N/A THR 491.A OG1 HIS 517.A ND1 no hydrogen 2.695 N/A GLU 493.A N ILE 518.A O no hydrogen 2.795 N/A LYS 494.A N CYS 521.A O no hydrogen 3.029 N/A LYS 494.A NZ ASP 520.A OD2 no hydrogen 2.765 N/A ASP 495.A N ALA 492.A O no hydrogen 3.174 N/A VAL 497.A N ASP 495.A OD1 no hydrogen 3.110 N/A LEU 498.A N ASP 495.A OD1 no hydrogen 3.144 N/A MET 502.A N VAL 499.A O no hydrogen 3.155 N/A SER 503.A N PRO 500.A O no hydrogen 2.907 N/A SER 503.A OG PRO 500.A O no hydrogen 2.737 N/A GLN 504.A N GLN 501.A O no hydrogen 2.766 N/A MET 506.A N SER 503.A O no hydrogen 3.023 N/A GLU 507.A N GLU 507.A OE1 no hydrogen 2.874 N/A ASP 508.A N HIS 505.A O no hydrogen 2.775 N/A TRP 509.A N MET 506.A O no hydrogen 2.789 N/A ILE 510.A N MET 506.A O no hydrogen 2.921 N/A LEU 513.A N ILE 510.A O no hydrogen 2.999 N/A LYS 514.A N ALA 487.A O no hydrogen 2.836 N/A LYS 514.A NZ ASP 544.A OD2 no hydrogen 3.184 N/A ARG 515.A NE GLU 507.A OE2 no hydrogen 2.955 N/A ARG 515.A NH1 SER 503.A O no hydrogen 2.941 N/A ARG 515.A NH1 GLU 507.A OE1 no hydrogen 2.979 N/A ARG 515.A NH1 GLU 507.A OE2 no hydrogen 3.487 N/A ARG 515.A NH2 SER 503.A OG no hydrogen 2.835 N/A GLY 516.A N MET 489.A O no hydrogen 2.651 N/A HIS 517.A ND1 THR 491.A OG1 no hydrogen 2.695 N/A ILE 518.A N THR 491.A O no hydrogen 2.947 N/A ASP 520.A N GLU 493.A OE1 no hydrogen 2.715 N/A CYS 521.A SG GLY 522.A O no hydrogen 3.323 N/A GLY 522.A N ASP 528.A OD2 no hydrogen 2.761 N/A HIS 523.A ND1 ASP 495.A OD2 no hydrogen 2.719 N/A THR 525.A OG1 ASN 358.A OD1 no hydrogen 2.453 N/A THR 525.A OG1 HIS 523.A O no hydrogen 3.371 N/A GLN 526.A N GLN 526.A OE1 no hydrogen 2.889 N/A MET 527.A N TRP 524.A O no hydrogen 3.116 N/A ASP 528.A N TRP 524.A O no hydrogen 3.012 N/A ASP 528.A N THR 525.A O no hydrogen 3.226 N/A LYS 529.A N THR 525.A O no hydrogen 2.964 N/A LYS 529.A NZ ASP 528.A O no hydrogen 3.295 N/A LYS 529.A NZ ASP 528.A OD1 no hydrogen 2.914 N/A GLU 532.A N LYS 529.A O no hydrogen 3.044 N/A GLU 532.A N GLU 532.A OE1 no hydrogen 2.628 N/A VAL 533.A N LYS 529.A O no hydrogen 3.026 N/A ASN 534.A N PRO 530.A O no hydrogen 3.106 N/A ASN 534.A ND2 GLN 276.A OE1 no hydrogen 3.003 N/A GLN 535.A N THR 531.A O no hydrogen 3.222 N/A ILE 536.A N GLU 532.A O no hydrogen 2.871 N/A LEU 537.A N VAL 533.A O no hydrogen 2.880 N/A ILE 538.A N ASN 534.A O no hydrogen 2.839 N/A LYS 539.A N GLN 535.A O no hydrogen 3.127 N/A TRP 540.A N ILE 536.A O no hydrogen 3.172 N/A LEU 541.A N LEU 537.A O no hydrogen 2.702 N/A ASP 542.A N ILE 538.A O no hydrogen 2.976 N/A SER 543.A N LYS 539.A O no hydrogen 3.240 N/A SER 543.A OG LYS 539.A O no hydrogen 3.099 N/A SER 543.A OG TRP 540.A O no hydrogen 3.243 N/A SER 543.A OG ASP 544.A OD2 no hydrogen 2.758 N/A ASP 544.A N TRP 540.A O no hydrogen 2.787 N/A ALA 545.A N LEU 541.A O no hydrogen 2.923 N/A