Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 9.A N ASN 111.A OD1 no hydrogen 2.752 N/A GLU 12.A N LYS 204.A O no hydrogen 2.827 N/A VAL 13.A N PRO 10.A O no hydrogen 3.004 N/A ILE 15.A N ALA 11.A O no hydrogen 2.769 N/A GLN 16.A N GLU 12.A O no hydrogen 3.010 N/A ASP 17.A N VAL 13.A O no hydrogen 2.886 N/A ILE 18.A N LEU 14.A O no hydrogen 2.708 N/A SER 24.A OG SER 122.A O no hydrogen 3.297 N/A SER 24.A OG THR 125.A OG1 no hydrogen 2.775 N/A PHE 25.A N LEU 21.A O no hydrogen 2.888 N/A GLU 26.A N LYS 22.A O no hydrogen 3.012 N/A THR 27.A N THR 23.A O no hydrogen 2.894 N/A THR 27.A OG1 THR 23.A O no hydrogen 2.901 N/A THR 27.A OG1 THR 125.A O no hydrogen 3.191 N/A VAL 28.A N SER 24.A O no hydrogen 2.990 N/A ARG 29.A N PHE 25.A O no hydrogen 2.913 N/A LYS 30.A N GLU 26.A O no hydrogen 3.048 N/A SER 31.A N THR 27.A O no hydrogen 2.928 N/A SER 31.A OG THR 27.A O no hydrogen 2.503 N/A SER 31.A OG VAL 28.A O no hydrogen 3.285 N/A SER 31.A OG THR 148.A OG1 no hydrogen 2.603 N/A ARG 32.A N VAL 28.A O no hydrogen 2.882 N/A ARG 32.A NE ILE 147.A O no hydrogen 2.948 N/A ARG 32.A NH2 ILE 147.A O no hydrogen 2.847 N/A LYS 33.A N ARG 29.A O no hydrogen 3.347 N/A GLU 34.A N LYS 30.A O no hydrogen 2.991 N/A ILE 35.A N SER 31.A O no hydrogen 2.838 N/A ALA 36.A N ARG 32.A O no hydrogen 3.041 N/A ASN 37.A N LYS 33.A O no hydrogen 3.115 N/A ILE 38.A N GLU 34.A O no hydrogen 3.174 N/A ILE 39.A N ILE 35.A O no hydrogen 2.846 N/A HIS 40.A N ALA 36.A O no hydrogen 3.059 N/A HIS 40.A NE2 GLN 217.A O no hydrogen 2.924 N/A HIS 40.A NE2 ASN 218.A OD1 no hydrogen 2.843 N/A GLY 41.A N ILE 38.A O no hydrogen 3.074 N/A ASN 42.A N ASN 37.A O no hydrogen 2.815 N/A ASP 43.A N ASN 37.A O no hydrogen 3.312 N/A ARG 45.A N ASP 43.A OD1 no hydrogen 3.323 N/A ARG 45.A NE ASP 43.A OD2 no hydrogen 2.933 N/A ARG 45.A NH1 HIS 76.A O no hydrogen 2.637 N/A ARG 45.A NH2 GLU 34.A OE1 no hydrogen 3.168 N/A VAL 46.A N ASP 78.A O no hydrogen 3.188 N/A ALA 47.A N PHE 286.A O no hydrogen 2.757 N/A VAL 48.A N LEU 80.A O no hydrogen 2.732 N/A VAL 49.A N VAL 288.A O no hydrogen 3.077 N/A VAL 50.A N ILE 82.A O no hydrogen 2.981 N/A GLY 51.A N ILE 289.A O no hydrogen 3.273 N/A CYS 53.A SG GLU 290.A OE2 no hydrogen 3.305 N/A CYS 53.A SG THR 312.A OG1 no hydrogen 2.916 N/A CYS 53.A SG ASP 313.A OD2 no hydrogen 3.362 N/A SER 54.A OG THR 312.A OG1 no hydrogen 2.868 N/A ILE 55.A N TYR 85.A O no hydrogen 2.799 N/A ALA 60.A N ASP 57.A OD1 no hydrogen 3.468 N/A ALA 61.A N ASP 57.A O no hydrogen 2.890 N/A ILE 62.A N PRO 58.A O no hydrogen 2.945 N/A GLU 63.A N ALA 59.A O no hydrogen 3.114 N/A TYR 64.A N ALA 60.A O no hydrogen 2.913 N/A TYR 64.A OH SER 291.A OG no hydrogen 2.543 N/A ALA 65.A N ALA 61.A O no hydrogen 2.893 N/A THR 66.A N ILE 62.A O no hydrogen 2.949 N/A THR 66.A OG1 ILE 62.A O no hydrogen 2.947 N/A LYS 67.A N GLU 63.A O no hydrogen 3.316 N/A LEU 68.A N TYR 64.A O no hydrogen 2.937 N/A LYS 69.A N ALA 65.A O no hydrogen 2.746 N/A LYS 69.A NZ GLY 127.A O no hydrogen 3.491 N/A GLU 70.A N THR 66.A O no hydrogen 3.154 N/A GLN 71.A N LEU 68.A O no hydrogen 2.876 N/A VAL 72.A N LYS 69.A O no hydrogen 3.245 N/A LYS 74.A N GLN 71.A O no hydrogen 3.033 N/A LYS 74.A NZ GLN 71.A OE1 no hydrogen 2.649 N/A PHE 75.A N VAL 72.A O no hydrogen 2.872 N/A HIS 76.A ND1 LYS 73.A O no hydrogen 3.199 N/A ASP 78.A N PHE 75.A O no hydrogen 2.902 N/A ILE 79.A N PHE 75.A O no hydrogen 2.848 N/A LEU 80.A N VAL 46.A O no hydrogen 2.959 N/A ILE 82.A N VAL 48.A O no hydrogen 2.780 N/A ARG 83.A NE PRO 52.A O no hydrogen 2.783 N/A ARG 83.A NE CYS 53.A O no hydrogen 3.270 N/A ARG 83.A NH2 CYS 53.A O no hydrogen 2.855 N/A VAL 84.A N ALA 131.A O no hydrogen 2.761 N/A LYS 88.A N LYS 96.A O no hydrogen 2.786 N/A LYS 88.A NZ PRO 89.A O no hydrogen 2.609 N/A ARG 90.A NE TRP 95.A O no hydrogen 2.849 N/A ARG 90.A NH2 TRP 95.A O no hydrogen 3.167 N/A TRP 95.A NE1 ASP 101.A O no hydrogen 3.002 N/A ASP 101.A N GLY 97.A O no hydrogen 3.047 N/A LEU 104.A N ASP 101.A O no hydrogen 3.055 N/A ASN 106.A N ASP 101.A OD2 no hydrogen 2.942 N/A SER 107.A N ASP 105.A OD1 no hydrogen 3.196 N/A SER 107.A OG ASP 105.A OD1 no hydrogen 2.423 N/A TYR 108.A N ASP 101.A OD1 no hydrogen 3.168 N/A ILE 110.A N TYR 108.A O no hydrogen 2.854 N/A ASN 111.A ND2 VAL 7.A O no hydrogen 3.010 N/A LYS 112.A N ASN 109.A OD1 no hydrogen 3.364 N/A LYS 112.A NZ ASP 103.A OD1 no hydrogen 2.976 N/A LYS 112.A NZ ASP 103.A OD2 no hydrogen 3.021 N/A GLY 113.A N ASN 109.A O no hydrogen 2.960 N/A LEU 114.A N ILE 110.A O no hydrogen 2.859 N/A ARG 115.A N ASN 111.A O no hydrogen 2.971 N/A ARG 115.A NH1 ASP 17.A OD2 no hydrogen 2.904 N/A ARG 115.A NH2 ASP 17.A OD2 no hydrogen 3.485 N/A LEU 116.A N LYS 112.A O no hydrogen 2.831 N/A ALA 117.A N GLY 113.A O no hydrogen 2.856 N/A ARG 118.A N LEU 114.A O no hydrogen 3.034 N/A ARG 118.A NE ILE 18.A O no hydrogen 2.771 N/A ARG 118.A NH1 TYR 142.A O no hydrogen 2.864 N/A ARG 118.A NH1 GLU 145.A OE1 no hydrogen 3.404 N/A ARG 118.A NH1 GLU 145.A OE2 no hydrogen 3.012 N/A ARG 118.A NH2 ILE 18.A O no hydrogen 2.840 N/A ARG 118.A NH2 GLU 145.A OE2 no hydrogen 2.988 N/A ASN 119.A N ARG 115.A O no hydrogen 3.004 N/A LEU 120.A N LEU 116.A O no hydrogen 2.827 N/A LEU 121.A N ALA 117.A O no hydrogen 3.034 N/A SER 122.A N ARG 118.A O no hydrogen 2.780 N/A ASP 123.A N ASN 119.A O no hydrogen 3.017 N/A LEU 124.A N LEU 120.A O no hydrogen 2.909 N/A THR 125.A N LEU 121.A O no hydrogen 3.105 N/A THR 125.A OG1 SER 24.A OG no hydrogen 2.775 N/A THR 125.A OG1 LEU 121.A O no hydrogen 2.761 N/A THR 125.A OG1 SER 122.A O no hydrogen 3.046 N/A ASN 126.A N SER 122.A O no hydrogen 2.909 N/A LEU 128.A N LEU 124.A O no hydrogen 3.191 N/A CYS 130.A SG LEU 128.A O no hydrogen 3.633 N/A THR 132.A OG1 VAL 84.A O no hydrogen 2.756 N/A PHE 134.A N ALA 151.A O no hydrogen 3.003 N/A ILE 138.A N ASP 136.A OD1 no hydrogen 3.175 N/A THR 139.A N ASP 136.A OD1 no hydrogen 2.924 N/A THR 139.A OG1 ASP 136.A OD1 no hydrogen 2.791 N/A GLN 141.A NE2 THR 202.A O no hydrogen 2.656 N/A TYR 142.A N THR 139.A O no hydrogen 2.942 N/A TYR 142.A OH ILE 9.A O no hydrogen 2.559 N/A PHE 143.A N PRO 140.A O no hydrogen 3.119 N/A ALA 144.A N PRO 140.A O no hydrogen 2.803 N/A GLU 145.A N GLU 145.A OE1 no hydrogen 2.861 N/A LEU 146.A N PHE 143.A O no hydrogen 2.903 N/A ILE 147.A N ALA 144.A O no hydrogen 3.354 N/A THR 148.A N CYS 130.A O no hydrogen 3.064 N/A THR 148.A OG1 SER 31.A OG no hydrogen 2.603 N/A TRP 149.A NE1 HIS 220.A NE2 no hydrogen 3.005 N/A GLY 150.A N SER 172.A O no hydrogen 2.788 N/A ALA 151.A N THR 132.A O no hydrogen 3.068 N/A ILE 152.A N GLY 174.A O no hydrogen 2.856 N/A ARG 155.A NH1 ARG 90.A O no hydrogen 2.588 N/A THR 156.A N GLY 153.A O no hydrogen 3.168 N/A THR 156.A OG1 GLY 153.A O no hydrogen 3.438 N/A SER 159.A N THR 156.A O no hydrogen 2.953 N/A SER 159.A OG HIS 162.A ND1 no hydrogen 2.685 N/A HIS 162.A N SER 159.A O no hydrogen 3.141 N/A HIS 162.A ND1 SER 159.A OG no hydrogen 2.685 N/A HIS 162.A NE2 LEU 135.A O no hydrogen 2.781 N/A ARG 163.A N SER 159.A O no hydrogen 3.233 N/A ARG 163.A NE VAL 157.A O no hydrogen 3.094 N/A ARG 163.A NH2 VAL 157.A O no hydrogen 3.273 N/A GLU 164.A N GLN 160.A O no hydrogen 3.014 N/A LEU 165.A N VAL 161.A O no hydrogen 2.739 N/A ALA 166.A N HIS 162.A O no hydrogen 2.942 N/A SER 167.A N ARG 163.A O no hydrogen 2.992 N/A SER 167.A OG GLU 164.A O no hydrogen 2.470 N/A SER 167.A OG THR 213.A OG1 no hydrogen 2.786 N/A GLY 168.A N LEU 165.A O no hydrogen 3.048 N/A LEU 169.A N ALA 166.A O no hydrogen 3.286 N/A SER 172.A N THR 148.A O no hydrogen 3.395 N/A ILE 173.A N ASN 218.A O no hydrogen 3.138 N/A GLY 174.A N GLY 150.A O no hydrogen 2.918 N/A PHE 175.A N HIS 220.A O no hydrogen 2.787 N/A LYS 176.A N ILE 152.A O no hydrogen 3.045 N/A LYS 176.A NZ ASP 255.A OD2 no hydrogen 2.659 N/A ASN 177.A N ILE 222.A O no hydrogen 3.150 N/A ASN 177.A ND2 ILE 222.A O no hydrogen 3.631 N/A ALA 178.A N ASP 182.A O no hydrogen 3.055 N/A GLY 181.A N ALA 178.A O no hydrogen 2.824 N/A ASP 182.A N ASN 180.A OD1 no hydrogen 2.691 N/A GLN 184.A NE2 GLN 184.A O no hydrogen 3.356 N/A GLN 184.A NE2 ASP 188.A OD1 no hydrogen 2.924 N/A VAL 185.A N ASP 182.A OD1 no hydrogen 3.069 N/A VAL 187.A N VAL 183.A O no hydrogen 3.040 N/A ASP 188.A N GLN 184.A O no hydrogen 2.762 N/A ALA 189.A N VAL 185.A O no hydrogen 2.975 N/A VAL 190.A N ALA 186.A O no hydrogen 2.943 N/A LYS 191.A N VAL 187.A O no hydrogen 2.946 N/A LYS 191.A NZ ALA 247.A O no hydrogen 2.908 N/A SER 192.A N ASP 188.A O no hydrogen 2.915 N/A ALA 193.A N ALA 189.A O no hydrogen 2.975 N/A THR 194.A N VAL 190.A O no hydrogen 3.284 N/A THR 194.A N LYS 191.A O no hydrogen 3.151 N/A THR 194.A OG1 LYS 191.A O no hydrogen 2.543 N/A TYR 195.A N SER 192.A O no hydrogen 3.152 N/A HIS 197.A N THR 213.A OG1 no hydrogen 2.888 N/A HIS 197.A NE2 SER 192.A O no hydrogen 2.842 N/A PHE 199.A N PHE 211.A O no hydrogen 2.994 N/A SER 201.A N ALA 209.A O no hydrogen 3.029 N/A SER 201.A OG VAL 137.A O no hydrogen 3.408 N/A THR 202.A OG1 VAL 137.A O no hydrogen 2.740 N/A THR 203.A N SER 207.A O no hydrogen 2.807 N/A THR 203.A OG1 SER 205.A OG no hydrogen 2.714 N/A THR 203.A OG1 SER 207.A O no hydrogen 3.395 N/A LYS 204.A NZ GLN 141.A OE1 no hydrogen 2.796 N/A SER 205.A OG THR 203.A OG1 no hydrogen 2.714 N/A GLY 206.A N THR 203.A O no hydrogen 3.075 N/A SER 207.A N THR 203.A OG1 no hydrogen 3.063 N/A SER 207.A OG THR 208.A O no hydrogen 2.741 N/A ALA 209.A N SER 201.A O no hydrogen 3.075 N/A PHE 211.A N PHE 199.A O no hydrogen 2.800 N/A THR 213.A N HIS 197.A O no hydrogen 2.758 N/A THR 213.A OG1 SER 167.A OG no hydrogen 2.786 N/A THR 213.A OG1 HIS 197.A O no hydrogen 3.349 N/A GLY 215.A N SER 167.A O no hydrogen 3.048 N/A ASN 216.A N ALA 193.A O no hydrogen 2.775 N/A ASN 216.A ND2 ALA 166.A O no hydrogen 3.129 N/A ASN 216.A ND2 ALA 171.A O no hydrogen 3.019 N/A ASN 218.A N ASN 216.A OD1 no hydrogen 2.972 N/A HIS 220.A N ILE 173.A O no hydrogen 3.038 N/A HIS 220.A ND1 VAL 221.A O no hydrogen 2.886 N/A ILE 222.A N PHE 175.A O no hydrogen 2.907 N/A ARG 224.A NH1 GLY 225.A O no hydrogen 3.075 N/A GLY 225.A N ASN 231.A OD1 no hydrogen 2.869 N/A ALA 227.A N THR 179.A O no hydrogen 3.039 N/A SER 228.A N ASN 180.A O no hydrogen 2.958 N/A SER 228.A OG ASN 180.A O no hydrogen 3.006 N/A GLY 229.A N GLY 226.A O no hydrogen 2.759 N/A SER 233.A OG HIS 236.A ND1 no hydrogen 2.772 N/A HIS 236.A ND1 SER 233.A OG no hydrogen 2.772 N/A VAL 237.A N SER 233.A O no hydrogen 3.002 N/A ASP 238.A N LYS 234.A O no hydrogen 2.909 N/A ASP 239.A N GLU 235.A O no hydrogen 3.210 N/A CYS 240.A N HIS 236.A O no hydrogen 3.048 N/A ILE 241.A N VAL 237.A O no hydrogen 2.953 N/A ALA 242.A N ASP 238.A O no hydrogen 2.864 N/A LYS 243.A N ASP 239.A O no hydrogen 2.928 N/A LYS 243.A NZ ASP 239.A OD1 no hydrogen 3.094 N/A LYS 243.A NZ ASP 239.A OD2 no hydrogen 2.690 N/A LEU 244.A N CYS 240.A O no hydrogen 2.894 N/A LYS 245.A N ILE 241.A O no hydrogen 2.937 N/A LYS 246.A N ALA 242.A O no hydrogen 3.176 N/A ALA 247.A N LYS 243.A O no hydrogen 3.330 N/A ALA 247.A N LEU 244.A O no hydrogen 2.873 N/A ASP 248.A N LYS 245.A O no hydrogen 2.952 N/A ILE 249.A N LEU 244.A O no hydrogen 3.081 N/A THR 251.A OG1 GLY 219.A O no hydrogen 2.791 N/A LYS 252.A N ILE 39.A O no hydrogen 2.792 N/A VAL 253.A N ASP 284.A O no hydrogen 2.984 N/A ASP 255.A N LEU 223.A O no hydrogen 2.773 N/A SER 257.A N ASP 255.A OD1 no hydrogen 2.793 N/A SER 257.A OG GLU 290.A OE1 no hydrogen 2.597 N/A HIS 258.A ND1 ASP 255.A OD2 no hydrogen 2.739 N/A ASN 260.A N SER 257.A O no hydrogen 3.051 N/A ASN 260.A ND2 ASN 231.A OD1 no hydrogen 3.450 N/A SER 261.A OG HIS 258.A O no hydrogen 3.529 N/A SER 261.A OG ASP 264.A O no hydrogen 3.297 N/A LYS 263.A N HIS 258.A O no hydrogen 2.889 N/A LYS 263.A NZ ASP 313.A OD1 no hydrogen 3.305 N/A LYS 263.A NZ ASP 313.A OD2 no hydrogen 3.122 N/A ASP 264.A N SER 261.A O no hydrogen 3.163 N/A SER 266.A N ASP 264.A OD1 no hydrogen 3.359 N/A SER 266.A OG ASP 264.A OD1 no hydrogen 2.712 N/A LYS 267.A N ASP 264.A O no hydrogen 3.129 N/A GLN 268.A N HIS 265.A O no hydrogen 3.413 N/A GLN 268.A NE2 GLU 290.A O no hydrogen 3.065 N/A SER 270.A N LYS 267.A O no hydrogen 2.988 N/A SER 270.A OG LYS 267.A O no hydrogen 3.053 N/A VAL 271.A N LYS 267.A O no hydrogen 3.030 N/A LEU 272.A N GLN 268.A O no hydrogen 2.836 N/A ALA 273.A N ILE 269.A O no hydrogen 3.096 N/A ASP 274.A N SER 270.A O no hydrogen 3.361 N/A ILE 275.A N VAL 271.A O no hydrogen 3.115 N/A CYS 276.A N LEU 272.A O no hydrogen 2.781 N/A CYS 276.A SG LEU 272.A O no hydrogen 3.272 N/A GLU 277.A N ALA 273.A O no hydrogen 3.242 N/A GLN 278.A N ASP 274.A O no hydrogen 3.179 N/A GLN 278.A NE2 PHE 232.A O no hydrogen 2.963 N/A GLN 278.A NE2 ASP 274.A OD1 no hydrogen 2.918 N/A ILE 279.A N ILE 275.A O no hydrogen 2.815 N/A LYS 280.A N CYS 276.A O no hydrogen 3.080 N/A HIS 281.A N GLN 278.A O no hydrogen 3.013 N/A ASP 284.A N SER 282.A OG no hydrogen 3.177 N/A PHE 286.A N VAL 253.A O no hydrogen 2.864 N/A VAL 288.A N ALA 47.A O no hydrogen 2.980 N/A GLU 290.A N GLN 268.A OE1 no hydrogen 2.873 N/A SER 291.A N GLY 51.A O no hydrogen 2.627 N/A SER 291.A OG TYR 64.A OH no hydrogen 2.543 N/A SER 291.A OG THR 321.A OG1 no hydrogen 2.599 N/A ASN 292.A N VAL 316.A O no hydrogen 2.813 N/A LEU 293.A N ASN 292.A OD1 no hydrogen 2.916 N/A VAL 294.A N GLY 308.A O no hydrogen 3.014 N/A GLY 296.A N CYS 315.A O no hydrogen 2.807 N/A ASN 297.A ND2 THR 312.A O no hydrogen 2.926 N/A GLN 298.A N SER 310.A O no hydrogen 2.840 N/A GLN 298.A NE2 THR 306.A O no hydrogen 3.024 N/A GLN 298.A NE2 GLN 309.A O no hydrogen 3.205 N/A ASN 301.A N ASP 299.A OD1 no hydrogen 3.201 N/A LYS 302.A N ASP 299.A O no hydrogen 3.197 N/A LYS 302.A NZ GLN 298.A OE1 no hydrogen 3.262 N/A THR 306.A N GLN 298.A OE1 no hydrogen 2.865 N/A THR 306.A OG1 GLN 298.A OE1 no hydrogen 3.515 N/A TYR 307.A OH GLU 63.A OE2 no hydrogen 2.518 N/A GLN 309.A NE2 ALA 295.A O no hydrogen 2.818 N/A SER 310.A OG ASP 313.A O no hydrogen 2.585 N/A THR 312.A N SER 310.A OG no hydrogen 3.062 N/A THR 312.A OG1 SER 54.A OG no hydrogen 2.868 N/A CYS 315.A N GLY 296.A O no hydrogen 3.220 N/A CYS 315.A SG ASP 313.A O no hydrogen 3.638 N/A VAL 316.A N GLU 290.A O no hydrogen 3.025 N/A GLU 320.A N ASP 317.A OD1 no hydrogen 2.977 N/A THR 321.A N ASP 317.A O no hydrogen 3.091 N/A THR 321.A OG1 SER 291.A OG no hydrogen 2.599 N/A THR 321.A OG1 ASP 317.A O no hydrogen 2.832 N/A VAL 322.A N PHE 318.A O no hydrogen 2.872 N/A LYS 323.A N GLU 319.A O no hydrogen 3.360 N/A GLU 325.A N VAL 322.A O no hydrogen 2.935 N/A ALA 327.A N LEU 324.A O no hydrogen 2.855 N/A GLU 328.A N GLU 325.A O no hydrogen 3.007 N/A VAL 330.A N LEU 326.A O no hydrogen 3.030 N/A GLN 331.A N ALA 327.A O no hydrogen 3.027 N/A GLN 331.A NE2 ASP 78.A OD2 no hydrogen 2.909 N/A VAL 332.A N GLU 328.A O no hydrogen 3.026 N/A ARG 333.A N ALA 329.A O no hydrogen 2.993 N/A ARG 333.A NE ILE 279.A O no hydrogen 2.780 N/A ARG 333.A NE SER 282.A O no hydrogen 3.384 N/A ARG 333.A NH1 ASP 44.A O no hydrogen 2.911 N/A ARG 333.A NH2 SER 282.A O no hydrogen 3.049 N/A ARG 333.A NH2 ILE 285.A O no hydrogen 2.743 N/A ARG 334.A N VAL 330.A O no hydrogen 3.070 N/A ARG 334.A N GLN 331.A O no hydrogen 3.304 N/A ARG 334.A NE ASP 44.A OD1 no hydrogen 2.891 N/A ARG 334.A NH1 LYS 77.A O no hydrogen 3.386 N/A ARG 334.A NH1 ASP 78.A OD1 no hydrogen 3.001 N/A ARG 334.A NH2 ASP 44.A OD1 no hydrogen 3.046 N/A ARG 334.A NH2 LYS 77.A O no hydrogen 3.208 N/A