Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fky_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 399.A OD2 no hydrogen 2.807 N/A GLN 3.A N GLN 103.A OE1 no hydrogen 2.780 N/A GLN 3.A NE2 THR 396.A OG1 no hydrogen 3.054 N/A GLN 3.A NE2 ASP 399.A OD2 no hydrogen 3.021 N/A GLN 7.A N ASP 117.A OD1 no hydrogen 2.960 N/A GLN 7.A NE2 TYR 118.A O no hydrogen 3.015 N/A GLN 7.A NE2 SER 120.A OG no hydrogen 3.000 N/A GLN 8.A N LYS 116.A O no hydrogen 2.971 N/A ILE 10.A N GLU 114.A O no hydrogen 2.819 N/A GLN 12.A N GLU 112.A O no hydrogen 2.981 N/A LYS 14.A NZ GLU 112.A OE1 no hydrogen 2.952 N/A LYS 14.A NZ GLU 112.A OE2 no hydrogen 3.511 N/A ILE 16.A N LEU 110.A O no hydrogen 2.822 N/A LEU 18.A N GLY 108.A O no hydrogen 3.125 N/A GLN 23.A N MET 49.A O no hydrogen 2.659 N/A ASN 25.A N ILE 51.A O no hydrogen 2.870 N/A GLU 29.A N GLY 26.A O no hydrogen 3.303 N/A ALA 30.A N GLY 26.A O no hydrogen 3.051 N/A ASN 31.A N GLU 55.A OE2 no hydrogen 3.119 N/A ASN 31.A ND2 GLU 91.A O no hydrogen 2.544 N/A ASN 31.A ND2 GLU 193.A OE2 no hydrogen 3.044 N/A HIS 33.A N ASN 31.A OD1 no hydrogen 2.909 N/A HIS 33.A ND1 GLU 193.A OE2 no hydrogen 2.793 N/A VAL 35.A N ASN 31.A O no hydrogen 2.976 N/A LYS 36.A N PRO 32.A O no hydrogen 2.971 N/A VAL 37.A N HIS 33.A O no hydrogen 3.322 N/A LEU 38.A N ALA 34.A O no hydrogen 3.044 N/A LYS 39.A N VAL 35.A O no hydrogen 2.799 N/A GLU 40.A N LYS 36.A O no hydrogen 3.154 N/A LEU 41.A N VAL 37.A O no hydrogen 3.190 N/A LEU 42.A N LEU 38.A O no hydrogen 3.170 N/A SER 43.A N LYS 39.A O no hydrogen 2.877 N/A SER 45.A N TYR 22.A O no hydrogen 2.879 N/A LYS 46.A NZ GLN 23.A OE1 no hydrogen 2.690 N/A ILE 51.A N GLN 23.A O no hydrogen 2.879 N/A SER 52.A N ILE 84.A O no hydrogen 2.798 N/A ILE 53.A N ASN 25.A O no hydrogen 2.887 N/A GLY 54.A N LEU 86.A O no hydrogen 3.220 N/A GLU 55.A N ASP 58.A OD2 no hydrogen 2.878 N/A LYS 56.A N GLY 88.A O no hydrogen 2.834 N/A ASP 58.A N GLU 55.A O no hydrogen 2.793 N/A LYS 59.A N GLU 29.A OE2 no hydrogen 3.392 N/A SER 60.A N GLU 29.A OE1 no hydrogen 3.073 N/A SER 60.A OG GLU 29.A OE1 no hydrogen 3.476 N/A SER 60.A OG ILE 53.A O no hydrogen 2.792 N/A VAL 61.A N ASP 58.A O no hydrogen 3.390 N/A ARG 62.A N LYS 59.A O no hydrogen 3.514 N/A ARG 62.A NE LYS 59.A O no hydrogen 3.103 N/A TYR 64.A N VAL 61.A O no hydrogen 3.014 N/A TYR 64.A OH GLU 83.A OE1 no hydrogen 2.678 N/A SER 65.A N ARG 62.A O no hydrogen 3.304 N/A SER 65.A OG ARG 62.A O no hydrogen 3.198 N/A GLN 67.A N TYR 64.A O no hydrogen 2.897 N/A GLU 73.A N ASP 90.A OD2 no hydrogen 2.835 N/A GLY 74.A N HIS 71.A O no hydrogen 2.972 N/A TYR 75.A N ASP 117.A O no hydrogen 2.968 N/A TYR 75.A OH ASP 117.A OD2 no hydrogen 2.391 N/A TYR 76.A N ALA 87.A O no hydrogen 2.740 N/A TYR 76.A OH GLU 114.A OE1 no hydrogen 2.935 N/A LEU 77.A N ILE 115.A O no hydrogen 2.853 N/A SER 78.A N VAL 85.A O no hydrogen 3.037 N/A VAL 79.A N VAL 113.A O no hydrogen 2.750 N/A ASN 80.A N GLU 83.A O no hydrogen 3.203 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.740 N/A LYS 82.A N ASN 80.A OD1 no hydrogen 2.929 N/A GLU 83.A N ASN 80.A OD1 no hydrogen 2.766 N/A ILE 84.A N LEU 50.A O no hydrogen 2.929 N/A VAL 85.A N SER 78.A O no hydrogen 2.914 N/A LEU 86.A N SER 52.A O no hydrogen 2.935 N/A ALA 87.A N TYR 76.A O no hydrogen 2.927 N/A GLY 88.A N GLY 54.A O no hydrogen 3.105 N/A ASN 89.A N GLY 74.A O no hydrogen 2.935 N/A ASN 89.A ND2 HIS 71.A O no hydrogen 2.899 N/A ARG 92.A NE GLU 193.A OE1 no hydrogen 3.489 N/A ARG 92.A NH2 ASP 195.A OD1 no hydrogen 3.271 N/A GLY 93.A N ASP 90.A OD1 no hydrogen 2.750 N/A THR 94.A N ASP 90.A O no hydrogen 3.151 N/A THR 94.A OG1 GLY 54.A O no hydrogen 3.464 N/A THR 94.A OG1 GLU 55.A OE2 no hydrogen 2.526 N/A THR 94.A OG1 ASP 90.A O no hydrogen 3.404 N/A TYR 95.A N GLU 91.A O no hydrogen 3.281 N/A TYR 96.A N ARG 92.A O no hydrogen 2.986 N/A ALA 97.A N GLY 93.A O no hydrogen 2.915 N/A LEU 98.A N THR 94.A O no hydrogen 3.105 N/A GLN 99.A N TYR 95.A O no hydrogen 2.948 N/A THR 100.A N TYR 96.A O no hydrogen 2.956 N/A THR 100.A OG1 TYR 75.A OH no hydrogen 2.572 N/A PHE 101.A N ALA 97.A O no hydrogen 2.809 N/A ALA 102.A N LEU 98.A O no hydrogen 2.843 N/A GLN 103.A NE2 GLN 3.A O no hydrogen 2.998 N/A GLN 103.A NE2 GLN 99.A O no hydrogen 3.421 N/A LEU 104.A N THR 100.A O no hydrogen 3.317 N/A LEU 104.A N PHE 101.A O no hydrogen 3.134 N/A LEU 105.A N PHE 101.A O no hydrogen 3.222 N/A LYS 106.A N LYS 109.A O no hydrogen 2.898 N/A LYS 106.A NZ GLN 103.A O no hydrogen 2.893 N/A LYS 109.A N LYS 106.A O no hydrogen 3.169 N/A LEU 110.A N ILE 16.A O no hydrogen 2.836 N/A GLU 112.A N LYS 14.A O no hydrogen 3.052 N/A VAL 113.A N VAL 79.A O no hydrogen 3.114 N/A GLU 114.A N ILE 10.A O no hydrogen 2.923 N/A ILE 115.A N LEU 77.A O no hydrogen 2.737 N/A LYS 116.A N GLN 8.A O no hydrogen 3.135 N/A ASP 117.A N TYR 75.A O no hydrogen 3.229 N/A TYR 118.A N ASP 117.A OD1 no hydrogen 2.931 N/A SER 120.A N TRP 386.A O no hydrogen 2.864 N/A SER 120.A OG TRP 386.A O no hydrogen 3.409 N/A ARG 122.A NH1 ARG 122.A O no hydrogen 3.208 N/A TYR 123.A N SER 361.A O no hydrogen 3.269 N/A ARG 124.A N ASN 153.A OD1 no hydrogen 3.004 N/A ARG 124.A NE LYS 151.A O no hydrogen 3.095 N/A ARG 124.A NH1 GLU 73.A OE2 no hydrogen 2.729 N/A ARG 124.A NH1 VAL 121.A O no hydrogen 2.820 N/A ARG 124.A NH2 GLU 73.A OE1 no hydrogen 3.162 N/A ARG 124.A NH2 GLU 73.A OE2 no hydrogen 3.398 N/A ARG 124.A NH2 LYS 151.A O no hydrogen 2.781 N/A GLY 125.A N PHE 363.A O no hydrogen 3.086 N/A VAL 126.A N THR 154.A O no hydrogen 3.113 N/A VAL 127.A N THR 365.A O no hydrogen 3.020 N/A GLU 128.A N ILE 156.A O no hydrogen 2.808 N/A GLY 129.A N ASN 366.A OD1 no hydrogen 3.239 N/A TYR 131.A N ASP 338.A OD2 no hydrogen 2.953 N/A TYR 131.A OH ASP 237.A OD2 no hydrogen 2.525 N/A GLY 132.A N ASP 161.A OD2 no hydrogen 2.752 N/A TRP 135.A N GLU 128.A OE2 no hydrogen 2.919 N/A TRP 135.A NE1 MET 368.A O no hydrogen 3.026 N/A HIS 137.A NE2 GLU 184.A OE1 no hydrogen 2.690 N/A ALA 139.A N SER 136.A OG no hydrogen 3.006 N/A ARG 140.A N SER 136.A O no hydrogen 2.867 N/A ARG 140.A NE GLU 128.A OE1 no hydrogen 2.824 N/A ARG 140.A NH2 GLU 128.A OE1 no hydrogen 3.506 N/A ARG 140.A NH2 GLU 128.A OE2 no hydrogen 2.747 N/A LEU 141.A N HIS 137.A O no hydrogen 2.925 N/A SER 142.A N GLN 138.A O no hydrogen 3.079 N/A SER 142.A OG GLU 372.A OE2 no hydrogen 3.539 N/A GLN 143.A N ALA 139.A O no hydrogen 2.852 N/A GLN 143.A NE2 ALA 371.A O no hydrogen 3.093 N/A LEU 144.A N ARG 140.A O no hydrogen 3.067 N/A LYS 145.A N LEU 141.A O no hydrogen 3.453 N/A PHE 146.A N SER 142.A O no hydrogen 3.216 N/A TYR 147.A N GLN 143.A O no hydrogen 2.905 N/A TYR 147.A OH GLN 143.A OE1 no hydrogen 2.663 N/A GLY 148.A N LEU 144.A O no hydrogen 3.175 N/A LYS 149.A N LYS 145.A O no hydrogen 3.219 N/A ASN 150.A N PHE 146.A O no hydrogen 3.253 N/A ASN 150.A N TYR 147.A O no hydrogen 3.120 N/A ASN 150.A ND2 PHE 146.A O no hydrogen 2.992 N/A LYS 151.A N GLY 148.A O no hydrogen 3.303 N/A LYS 151.A NZ THR 100.A OG1 no hydrogen 2.691 N/A MET 152.A N TYR 147.A O no hydrogen 2.940 N/A ASN 153.A N ARG 124.A O no hydrogen 2.795 N/A ASN 153.A ND2 GLU 73.A OE1 no hydrogen 2.873 N/A ASN 153.A ND2 ARG 122.A O no hydrogen 2.862 N/A THR 154.A N ARG 124.A O no hydrogen 3.160 N/A THR 154.A OG1 ASN 153.A OD1 no hydrogen 2.774 N/A TYR 155.A N ASP 195.A O no hydrogen 2.994 N/A TYR 155.A OH GLU 128.A OE1 no hydrogen 2.485 N/A ILE 156.A N VAL 126.A O no hydrogen 2.861 N/A TYR 157.A N VAL 197.A O no hydrogen 2.863 N/A TYR 157.A OH ASP 162.A OD2 no hydrogen 2.471 N/A GLY 158.A N GLU 128.A O no hydrogen 2.872 N/A LYS 160.A N PHE 130.A O no hydrogen 3.078 N/A LYS 160.A NZ GLY 129.A O no hydrogen 3.384 N/A LYS 160.A NZ ASP 236.A OD2 no hydrogen 2.922 N/A ASP 162.A N PRO 159.A O no hydrogen 3.009 N/A TYR 164.A N ASP 162.A OD1 no hydrogen 2.944 N/A HIS 165.A N ASP 162.A O no hydrogen 3.053 N/A HIS 165.A ND1 ALA 199.A O no hydrogen 2.775 N/A SER 166.A N ASP 162.A O no hydrogen 3.207 N/A SER 166.A OG HIS 201.A ND1 no hydrogen 2.784 N/A ALA 167.A N SER 166.A OG no hydrogen 2.817 N/A TRP 170.A NE1 ASP 205.A OD1 no hydrogen 3.012 N/A ARG 171.A N PRO 168.A O no hydrogen 3.461 N/A ARG 171.A NE ASP 212.A OD1 no hydrogen 2.931 N/A ARG 171.A NH1 PRO 168.A O no hydrogen 3.167 N/A ARG 171.A NH1 ASP 205.A OD1 no hydrogen 3.506 N/A ARG 171.A NH1 ASP 205.A OD2 no hydrogen 2.913 N/A ARG 171.A NH2 ASP 205.A O no hydrogen 3.076 N/A ARG 171.A NH2 ASP 212.A OD1 no hydrogen 3.489 N/A ARG 171.A NH2 ASP 212.A OD2 no hydrogen 2.979 N/A LEU 172.A N ASN 169.A O no hydrogen 2.871 N/A TYR 174.A OH ASP 162.A OD2 no hydrogen 2.673 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.864 N/A ALA 179.A N PRO 175.A O no hydrogen 2.887 N/A ALA 180.A N ASP 176.A O no hydrogen 2.991 N/A GLN 181.A N LYS 177.A O no hydrogen 3.182 N/A LEU 182.A N GLU 178.A O no hydrogen 2.816 N/A GLN 183.A N ALA 179.A O no hydrogen 2.881 N/A GLU 184.A N ALA 180.A O no hydrogen 3.023 N/A LEU 185.A N GLN 181.A O no hydrogen 2.849 N/A VAL 186.A N LEU 182.A O no hydrogen 2.932 N/A ALA 187.A N GLN 183.A O no hydrogen 3.116 N/A VAL 188.A N GLU 184.A O no hydrogen 2.937 N/A ALA 189.A N LEU 185.A O no hydrogen 2.640 N/A ASN 190.A N VAL 186.A O no hydrogen 2.855 N/A GLU 191.A N ALA 187.A O no hydrogen 3.147 N/A ASN 192.A N VAL 188.A O no hydrogen 3.252 N/A ASN 192.A N ALA 189.A O no hydrogen 3.176 N/A ASN 192.A ND2 VAL 188.A O no hydrogen 2.867 N/A GLU 193.A N ASN 190.A O no hydrogen 3.145 N/A VAL 194.A N ALA 189.A O no hydrogen 2.853 N/A ASP 195.A N ASN 153.A O no hydrogen 2.924 N/A VAL 197.A N TYR 155.A O no hydrogen 2.775 N/A TRP 198.A N SER 230.A O no hydrogen 2.973 N/A TRP 198.A NE1 TYR 174.A OH no hydrogen 3.081 N/A ALA 199.A N TYR 157.A O no hydrogen 2.957 N/A ILE 200.A N ALA 232.A O no hydrogen 3.037 N/A HIS 201.A N HIS 165.A O no hydrogen 2.840 N/A HIS 201.A ND1 SER 166.A OG no hydrogen 2.784 N/A HIS 201.A NE2 ASP 236.A O no hydrogen 2.707 N/A GLN 204.A NE2 SER 239.A OG no hydrogen 3.349 N/A LYS 207.A N ASP 212.A OD2 no hydrogen 2.708 N/A LYS 207.A NZ ASP 205.A O no hydrogen 2.650 N/A TRP 208.A NE1 GLU 241.A O no hydrogen 2.842 N/A ASP 212.A N ASN 209.A OD1 no hydrogen 2.933 N/A ARG 213.A N ASN 209.A O no hydrogen 3.261 N/A ASP 214.A N LYS 210.A O no hydrogen 2.926 N/A LEU 215.A N GLU 211.A O no hydrogen 3.061 N/A LEU 216.A N ASP 212.A O no hydrogen 2.955 N/A LEU 217.A N ARG 213.A O no hydrogen 2.946 N/A ALA 218.A N ASP 214.A O no hydrogen 2.726 N/A LYS 219.A N LEU 215.A O no hydrogen 2.852 N/A LYS 219.A NZ TYR 164.A O no hydrogen 2.659 N/A LYS 219.A NZ TRP 170.A O no hydrogen 2.648 N/A LYS 219.A NZ LEU 172.A O no hydrogen 2.749 N/A PHE 220.A N LEU 216.A O no hydrogen 2.889 N/A GLU 221.A N LEU 217.A O no hydrogen 2.822 N/A LYS 222.A N ALA 218.A O no hydrogen 3.008 N/A LYS 222.A NZ GLN 225.A OE1 no hydrogen 2.728 N/A MET 223.A N LYS 219.A O no hydrogen 2.990 N/A TYR 224.A N PHE 220.A O no hydrogen 2.812 N/A TYR 224.A OH ASP 265.A OD1 no hydrogen 2.595 N/A GLN 225.A N GLU 221.A O no hydrogen 2.960 N/A GLN 225.A NE2 GLU 221.A OE2 no hydrogen 3.268 N/A LEU 226.A N LYS 222.A O no hydrogen 3.124 N/A GLY 227.A N TYR 224.A O no hydrogen 2.787 N/A VAL 228.A N MET 223.A O no hydrogen 3.090 N/A ARG 229.A NE ASP 265.A OD2 no hydrogen 2.874 N/A ARG 229.A NH1 TYR 224.A O no hydrogen 2.889 N/A ARG 229.A NH1 VAL 228.A O no hydrogen 2.931 N/A PHE 231.A N GLN 268.A O no hydrogen 3.048 N/A ALA 232.A N TRP 198.A O no hydrogen 3.032 N/A VAL 233.A N VAL 270.A O no hydrogen 2.944 N/A PHE 234.A N ILE 200.A O no hydrogen 2.735 N/A PHE 235.A N CYS 272.A O no hydrogen 2.904 N/A SER 239.A N GLN 204.A OE1 no hydrogen 3.083 N/A THR 243.A N GLY 240.A O no hydrogen 3.150 N/A THR 243.A OG1 GLY 240.A O no hydrogen 2.974 N/A ASN 244.A N GLU 241.A O no hydrogen 3.166 N/A GLN 246.A N ASN 244.A OD1 no hydrogen 2.942 N/A GLN 246.A NE2 GLU 250.A OE2 no hydrogen 2.652 N/A LYS 247.A N ASN 244.A OD1 no hydrogen 3.186 N/A GLN 248.A N ASN 244.A O no hydrogen 2.975 N/A GLN 248.A NE2 GLY 242.A O no hydrogen 2.870 N/A GLN 248.A NE2 THR 274.A OG1 no hydrogen 3.035 N/A ALA 249.A N PRO 245.A O no hydrogen 2.990 N/A GLU 250.A N GLN 246.A O no hydrogen 2.862 N/A LEU 251.A N LYS 247.A O no hydrogen 2.811 N/A LEU 252.A N GLN 248.A O no hydrogen 2.886 N/A ASN 253.A N ALA 249.A O no hydrogen 2.922 N/A ASN 253.A ND2 LYS 294.A O no hydrogen 2.995 N/A TYR 254.A N GLU 250.A O no hydrogen 2.906 N/A ILE 255.A N LEU 251.A O no hydrogen 3.003 N/A ASP 256.A N LEU 252.A O no hydrogen 2.869 N/A GLU 257.A N ASN 253.A O no hydrogen 2.754 N/A LYS 258.A N TYR 254.A O no hydrogen 2.785 N/A ALA 260.A N ILE 255.A O no hydrogen 2.780 N/A GLN 261.A N ASP 256.A O no hydrogen 2.696 N/A GLN 261.A NE2.A ASP 256.A OD1 no hydrogen 2.604 N/A GLN 261.A NE2.B ASP 256.A OD1 no hydrogen 3.480 N/A GLN 261.A NE2.B ASP 256.A OD2 no hydrogen 2.966 N/A VAL 262.A N PHE 259.A O no hydrogen 3.251 N/A LYS 263.A N PHE 259.A O no hydrogen 3.054 N/A LYS 263.A NZ GLU 221.A OE1 no hydrogen 2.797 N/A ASN 267.A N ARG 229.A O no hydrogen 2.892 N/A GLN 268.A N SER 230.A OG no hydrogen 3.149 N/A GLN 268.A NE2 THR 154.A OG1 no hydrogen 3.034 N/A GLN 268.A NE2 ASP 195.A OD2 no hydrogen 2.939 N/A VAL 270.A N PHE 231.A O no hydrogen 3.013 N/A MET 271.A N GLN 300.A O no hydrogen 2.846 N/A CYS 272.A N VAL 233.A O no hydrogen 3.072 N/A CYS 272.A SG PRO 273.A O no hydrogen 3.691 N/A THR 274.A N TYR 287.A OH no hydrogen 2.883 N/A THR 274.A OG1 PHE 235.A O no hydrogen 2.703 N/A TYR 276.A OH ASP 237.A OD1 no hydrogen 2.677 N/A LYS 278.A N GLY 305.A O no hydrogen 2.982 N/A SER 279.A N ASP 306.A O no hydrogen 2.947 N/A SER 279.A OG ASN 277.A OD1 no hydrogen 2.531 N/A TRP 280.A N ASN 277.A O no hydrogen 2.982 N/A TRP 280.A N ASN 277.A OD1 no hydrogen 3.191 N/A SER 281.A N LYS 278.A O no hydrogen 3.056 N/A SER 281.A OG.A LYS 278.A O no hydrogen 2.727 N/A SER 281.A OG.B ASN 277.A O no hydrogen 3.046 N/A ASN 282.A N GLU 275.A OE1 no hydrogen 3.373 N/A ASN 282.A N GLU 275.A OE2 no hydrogen 3.281 N/A ASN 284.A N ASN 282.A OD1 no hydrogen 2.915 N/A GLY 285.A N ASN 282.A O no hydrogen 2.934 N/A TYR 287.A OH GLN 248.A OE1 no hydrogen 2.587 N/A THR 289.A OG1 ASN 286.A O no hydrogen 3.228 N/A THR 290.A N ASN 286.A O no hydrogen 2.990 N/A THR 290.A OG1 ASN 286.A O no hydrogen 2.671 N/A LEU 291.A N TYR 287.A O no hydrogen 3.231 N/A GLY 292.A N LEU 288.A O no hydrogen 2.899 N/A ASP 293.A N THR 289.A O no hydrogen 2.856 N/A LYS 294.A N THR 290.A O no hydrogen 3.003 N/A LEU 295.A N LEU 291.A O no hydrogen 2.939 N/A ASN 296.A N ASN 253.A OD1 no hydrogen 2.841 N/A ASN 296.A ND2 ASP 256.A OD2 no hydrogen 2.734 N/A ASN 296.A ND2 GLU 257.A OE2 no hydrogen 2.970 N/A ILE 299.A N ASN 296.A O no hydrogen 3.114 N/A GLN 300.A N LEU 269.A O no hydrogen 3.054 N/A MET 302.A N MET 271.A O no hydrogen 2.848 N/A TRP 303.A N TYR 329.A O no hydrogen 3.104 N/A THR 304.A N TYR 276.A O no hydrogen 2.856 N/A THR 304.A OG1 TYR 276.A O no hydrogen 3.339 N/A THR 304.A OG1 ARG 307.A O no hydrogen 3.190 N/A THR 304.A OG1 VAL 308.A O no hydrogen 3.200 N/A SER 310.A OG THR 304.A O no hydrogen 2.805 N/A SER 310.A OG ARG 307.A O no hydrogen 3.238 N/A ILE 312.A N ASN 352.A OD1 no hydrogen 2.763 N/A ARG 314.A NH2 THR 355.A OG1 no hydrogen 2.867 N/A GLY 316.A N THR 313.A OG1 no hydrogen 2.827 N/A ILE 317.A N THR 313.A O no hydrogen 2.944 N/A SER 318.A N ARG 314.A O no hydrogen 3.011 N/A SER 318.A OG ARG 314.A O no hydrogen 2.955 N/A TRP 319.A N ASP 315.A O no hydrogen 3.135 N/A ILE 320.A N GLY 316.A O no hydrogen 3.434 N/A ASN 321.A N ILE 317.A O no hydrogen 2.886 N/A ASN 321.A ND2 GLU 359.A O no hydrogen 2.865 N/A GLU 322.A N SER 318.A O no hydrogen 3.019 N/A ARG 323.A N ILE 320.A O no hydrogen 2.824 N/A ARG 323.A NH1 TRP 319.A O no hydrogen 2.732 N/A ILE 324.A N ILE 320.A O no hydrogen 2.968 N/A LYS 325.A N ASN 321.A O no hydrogen 2.989 N/A LYS 325.A NZ ASP 293.A OD1 no hydrogen 3.067 N/A LYS 325.A NZ ARG 323.A O no hydrogen 3.046 N/A ARG 326.A NE ILE 324.A O no hydrogen 2.865 N/A ARG 326.A NH1 LEU 295.A O no hydrogen 3.353 N/A ARG 326.A NH1 ASN 296.A O no hydrogen 2.910 N/A ARG 326.A NH1 ILE 299.A O no hydrogen 2.977 N/A ARG 326.A NH2 GLY 292.A O no hydrogen 3.071 N/A ARG 326.A NH2 LEU 295.A O no hydrogen 2.847 N/A ARG 326.A NH2 ILE 324.A O no hydrogen 3.531 N/A ALA 328.A N ASN 321.A OD1 no hydrogen 2.948 N/A TYR 329.A N ILE 301.A O no hydrogen 2.808 N/A TYR 329.A OH GLN 268.A OE1 no hydrogen 2.660 N/A ILE 330.A N GLY 362.A O no hydrogen 2.691 N/A TRP 331.A N TRP 303.A O no hydrogen 2.789 N/A TRP 331.A NE1 ASN 333.A OD1 no hydrogen 2.955 N/A TRP 332.A N VAL 364.A O no hydrogen 2.718 N/A TRP 332.A NE1 ASP 311.A OD1 no hydrogen 3.238 N/A ASN 333.A ND2 VAL 308.A O no hydrogen 2.843 N/A PHE 334.A N TRP 332.A O no hydrogen 3.049 N/A VAL 336.A N ASN 366.A O no hydrogen 2.999 N/A VAL 340.A N SER 337.A O no hydrogen 3.000 N/A ARG 341.A N GLN 545.A OE1 no hydrogen 2.950 N/A ARG 341.A NE ASP 338.A O no hydrogen 2.977 N/A HIS 343.A N VAL 340.A O no hydrogen 2.901 N/A HIS 343.A ND1 ASP 421.A O no hydrogen 3.155 N/A LEU 346.A N ASN 419.A O no hydrogen 2.753 N/A ASP 353.A N ILE 312.A O no hydrogen 3.007 N/A THR 355.A N ASP 353.A OD1 no hydrogen 2.890 N/A THR 355.A OG1 ASP 353.A OD1 no hydrogen 2.739 N/A GLU 359.A N ILE 356.A O no hydrogen 2.865 N/A MET 360.A N ALA 357.A O no hydrogen 3.270 N/A SER 361.A N ALA 328.A O no hydrogen 2.910 N/A SER 361.A OG GLN 300.A OE1 no hydrogen 3.266 N/A SER 361.A OG PRO 327.A O no hydrogen 2.602 N/A PHE 363.A N TYR 123.A O no hydrogen 2.788 N/A VAL 364.A N ILE 330.A O no hydrogen 2.847 N/A THR 365.A N GLY 125.A O no hydrogen 2.898 N/A THR 365.A OG1 PHE 334.A O no hydrogen 2.708 N/A ASN 366.A N TRP 332.A O no hydrogen 2.918 N/A ASN 366.A ND2 ASN 333.A OD1 no hydrogen 3.010 N/A MET 368.A N SER 374.A OG no hydrogen 2.900 N/A GLU 372.A N GLU 488.A OE2 no hydrogen 2.815 N/A SER 373.A N GLU 488.A OE1 no hydrogen 2.764 N/A SER 373.A OG GLU 488.A OE1 no hydrogen 2.764 N/A SER 374.A N HIS 370.A O no hydrogen 3.176 N/A SER 374.A N ALA 371.A O no hydrogen 3.133 N/A SER 374.A OG MET 368.A O no hydrogen 3.432 N/A SER 374.A OG HIS 370.A O no hydrogen 2.917 N/A LYS 375.A N GLU 372.A O no hydrogen 3.117 N/A LYS 375.A NZ SER 142.A OG no hydrogen 3.016 N/A LYS 375.A NZ GLU 372.A OE1 no hydrogen 2.628 N/A ILE 378.A N SER 374.A O no hydrogen 2.934 N/A TYR 379.A N LYS 375.A O no hydrogen 2.942 N/A TYR 379.A OH THR 403.A OG1 no hydrogen 3.339 N/A SER 380.A N ILE 376.A O no hydrogen 3.328 N/A SER 380.A OG ILE 376.A O no hydrogen 2.925 N/A VAL 381.A N ALA 377.A O no hydrogen 2.768 N/A ALA 382.A N ILE 378.A O no hydrogen 2.920 N/A SER 383.A N TYR 379.A O no hydrogen 3.155 N/A SER 383.A OG GLN 3.A OE1 no hydrogen 2.452 N/A TYR 384.A N SER 380.A O no hydrogen 2.871 N/A TYR 384.A OH ASP 353.A O no hydrogen 2.704 N/A ALA 385.A N VAL 381.A O no hydrogen 2.907 N/A TRP 386.A N ALA 382.A O no hydrogen 3.210 N/A TRP 386.A NE1 ASP 117.A OD1 no hydrogen 2.870 N/A ASN 387.A N SER 383.A O no hydrogen 3.051 N/A ASN 387.A ND2 PRO 5.A O no hydrogen 2.978 N/A LYS 390.A N ASN 387.A O no hydrogen 3.315 N/A LYS 390.A N ASN 387.A OD1 no hydrogen 3.315 N/A TYR 391.A N PRO 388.A O no hydrogen 3.092 N/A TYR 391.A OH VAL 349.A O no hydrogen 2.524 N/A GLN 395.A N ASP 392.A OD1 no hydrogen 2.981 N/A THR 396.A N ASP 392.A O no hydrogen 3.137 N/A THR 396.A OG1 ASP 392.A O no hydrogen 2.712 N/A TRP 397.A N THR 393.A O no hydrogen 3.195 N/A TRP 397.A NE1 LEU 346.A O no hydrogen 2.862 N/A LYS 398.A N TRP 394.A O no hydrogen 2.959 N/A LYS 398.A NZ GLU 413.A OE1 no hydrogen 2.834 N/A LYS 398.A NZ GLU 413.A OE2 no hydrogen 3.418 N/A ASP 399.A N GLN 395.A O no hydrogen 2.860 N/A ALA 400.A N THR 396.A O no hydrogen 2.725 N/A ILE 401.A N TRP 397.A O no hydrogen 3.102 N/A ARG 402.A N LYS 398.A O no hydrogen 2.994 N/A THR 403.A N ASP 399.A O no hydrogen 2.960 N/A THR 403.A OG1 TYR 379.A OH no hydrogen 3.339 N/A THR 403.A OG1 ASP 399.A O no hydrogen 2.802 N/A ILE 404.A N ALA 400.A O no hydrogen 2.823 N/A LEU 405.A N ILE 401.A O no hydrogen 2.748 N/A SER 407.A N GLU 481.A OE1 no hydrogen 2.818 N/A SER 407.A OG GLU 481.A OE1 no hydrogen 2.493 N/A ALA 408.A N LEU 405.A O no hydrogen 2.941 N/A GLU 411.A N GLU 411.A OE1 no hydrogen 2.721 N/A LEU 412.A N ALA 408.A O no hydrogen 2.936 N/A GLU 413.A N ALA 409.A O no hydrogen 2.793 N/A CYS 414.A N GLU 410.A O no hydrogen 2.876 N/A PHE 415.A N GLU 411.A O no hydrogen 2.865 N/A ALA 416.A N LEU 412.A O no hydrogen 2.704 N/A MET 417.A N GLU 413.A O no hydrogen 2.754 N/A HIS 418.A ND1 SER 434.A OG no hydrogen 2.659 N/A ASN 419.A N ALA 416.A O no hydrogen 2.982 N/A ASN 419.A ND2 THR 550.A OG1 no hydrogen 2.710 N/A SER 420.A N GLU 433.A OE1 no hydrogen 2.953 N/A SER 420.A OG.A ALA 416.A O no hydrogen 3.026 N/A SER 420.A OG.B GLU 432.A O no hydrogen 2.726 N/A ASP 421.A N GLU 433.A OE1 no hydrogen 2.807 N/A LEU 422.A N ASP 421.A OD1 no hydrogen 2.735 N/A ASN 425.A ND2 GLY 423.A O no hydrogen 3.060 N/A ASN 425.A ND2 TYR 429.A O no hydrogen 2.926 N/A GLY 428.A N ASN 425.A O no hydrogen 3.063 N/A TYR 429.A OH ASP 311.A OD1 no hydrogen 2.738 N/A ARG 430.A NE ASP 421.A OD1 no hydrogen 2.889 N/A ARG 430.A NE ASP 421.A OD2 no hydrogen 3.184 N/A ARG 430.A NH2 ASP 421.A OD2 no hydrogen 2.604 N/A ARG 431.A N ASP 421.A OD1 no hydrogen 3.190 N/A ARG 431.A NE ARG 430.A O no hydrogen 3.005 N/A ARG 431.A NH1 TYR 350.A O no hydrogen 2.907 N/A ARG 431.A NH2 ASP 311.A OD2 no hydrogen 2.741 N/A GLU 432.A N TYR 350.A OH no hydrogen 3.041 N/A SER 434.A N MET 417.A O no hydrogen 3.275 N/A SER 434.A OG HIS 418.A ND1 no hydrogen 2.659 N/A GLN 438.A N SER 434.A O no hydrogen 3.140 N/A ALA 441.A N ILE 437.A O no hydrogen 2.871 N/A GLU 442.A N GLN 438.A O no hydrogen 2.902 N/A ARG 443.A N PRO 439.A O no hydrogen 2.962 N/A ARG 443.A NE ASP 458.A OD2 no hydrogen 2.944 N/A ARG 443.A NH2 ASP 458.A OD1 no hydrogen 2.958 N/A ARG 443.A NH2 ASP 458.A OD2 no hydrogen 3.428 N/A PHE 444.A N ALA 440.A O no hydrogen 2.957 N/A LEU 445.A N ALA 441.A O no hydrogen 2.939 N/A LYS 446.A N GLU 442.A O no hydrogen 3.037 N/A LYS 446.A NZ GLU 450.A OE2 no hydrogen 2.964 N/A ALA 447.A N ARG 443.A O no hydrogen 2.957 N/A PHE 448.A N PHE 444.A O no hydrogen 3.081 N/A LYS 449.A N LEU 445.A O no hydrogen 3.030 N/A GLU 450.A N LYS 446.A O no hydrogen 3.303 N/A GLY 451.A N PHE 448.A O no hydrogen 3.115 N/A LYS 452.A N ALA 447.A O no hydrogen 2.932 N/A ALA 457.A N ASP 455.A OD1 no hydrogen 2.817 N/A PHE 459.A N ASP 455.A O no hydrogen 3.187 N/A GLU 460.A N LYS 456.A O no hydrogen 2.882 N/A THR 461.A N ALA 457.A O no hydrogen 2.969 N/A THR 461.A OG1 ALA 457.A O no hydrogen 2.966 N/A LEU 462.A N ASP 458.A O no hydrogen 3.094 N/A GLN 463.A N PHE 459.A O no hydrogen 3.013 N/A TYR 464.A N GLU 460.A O no hydrogen 2.832 N/A THR 465.A N THR 461.A O no hydrogen 3.029 N/A THR 465.A OG1 THR 461.A O no hydrogen 2.786 N/A PHE 466.A N LEU 462.A O no hydrogen 3.008 N/A GLU 467.A N GLN 463.A O no hydrogen 3.051 N/A ARG 468.A N TYR 464.A O no hydrogen 2.982 N/A ARG 468.A NH1 GLU 471.A OE1 no hydrogen 2.656 N/A MET 469.A N THR 465.A O no hydrogen 2.863 N/A LYS 470.A N PHE 466.A O no hydrogen 3.146 N/A LYS 470.A N GLU 467.A O no hydrogen 3.201 N/A LYS 470.A NZ GLU 504.A OE1 no hydrogen 2.669 N/A LYS 470.A NZ GLU 504.A OE2 no hydrogen 3.248 N/A GLU 471.A N GLU 467.A O no hydrogen 3.095 N/A SER 472.A N ARG 468.A O no hydrogen 2.974 N/A SER 472.A OG ARG 468.A O no hydrogen 2.937 N/A ALA 473.A N MET 469.A O no hydrogen 2.881 N/A ASP 474.A N LYS 470.A O no hydrogen 3.013 N/A ILE 475.A N GLU 471.A O no hydrogen 3.092 N/A LEU 476.A N SER 472.A O no hydrogen 2.880 N/A LEU 477.A N ALA 473.A O no hydrogen 2.963 N/A MET 478.A N ILE 475.A O no hydrogen 3.255 N/A ASN 479.A N LEU 476.A O no hydrogen 3.217 N/A ASN 479.A ND2 SER 407.A OG no hydrogen 2.975 N/A GLU 481.A N ASN 479.A OD1 no hydrogen 2.880 N/A ASN 482.A N ASN 479.A OD1 no hydrogen 3.449 N/A ASN 482.A ND2 GLU 372.A OE1 no hydrogen 3.510 N/A LEU 485.A N ASN 482.A OD1 no hydrogen 3.053 N/A ILE 486.A N ASN 482.A O no hydrogen 3.199 N/A VAL 487.A N LYS 483.A O no hydrogen 2.875 N/A GLU 488.A N PRO 484.A O no hydrogen 3.042 N/A ILE 489.A N LEU 485.A O no hydrogen 3.117 N/A THR 490.A N ILE 486.A O no hydrogen 2.971 N/A THR 490.A OG1 ILE 486.A O no hydrogen 2.652 N/A TRP 492.A NE1 ASP 342.A O no hydrogen 2.984 N/A VAL 493.A N ILE 489.A O no hydrogen 2.983 N/A HIS 494.A N THR 490.A O no hydrogen 3.036 N/A GLN 495.A N PRO 491.A O no hydrogen 3.087 N/A GLN 495.A NE2 MET 532.A O no hydrogen 3.042 N/A GLN 495.A NE2 VAL 548.A O no hydrogen 3.097 N/A PHE 496.A N TRP 492.A O no hydrogen 2.846 N/A LYS 497.A N VAL 493.A O no hydrogen 3.047 N/A LYS 497.A NZ ASP 474.A OD1 no hydrogen 2.825 N/A LYS 497.A NZ ASP 474.A OD2 no hydrogen 2.964 N/A LEU 498.A N HIS 494.A O no hydrogen 3.066 N/A THR 499.A N GLN 495.A O no hydrogen 3.025 N/A THR 499.A OG1 GLN 495.A O no hydrogen 2.781 N/A ALA 500.A N PHE 496.A O no hydrogen 3.079 N/A GLU 501.A N LYS 497.A O no hydrogen 2.958 N/A MET 502.A N LEU 498.A O no hydrogen 2.853 N/A GLY 503.A N THR 499.A O no hydrogen 2.876 N/A GLU 504.A N ALA 500.A O no hydrogen 2.977 N/A GLU 505.A N GLU 501.A O no hydrogen 3.123 N/A VAL 506.A N MET 502.A O no hydrogen 2.856 N/A LEU 507.A N GLY 503.A O no hydrogen 2.883 N/A LYS 508.A N GLU 504.A O no hydrogen 3.041 N/A MET 509.A N GLU 505.A O no hydrogen 2.932 N/A VAL 510.A N VAL 506.A O no hydrogen 3.070 N/A GLU 511.A N LEU 507.A O no hydrogen 3.143 N/A GLY 512.A N LYS 508.A O no hydrogen 2.769 N/A TYR 517.A N ASN 514.A OD1 no hydrogen 2.827 N/A PHE 518.A N ASN 514.A O no hydrogen 2.995 N/A LEU 519.A N GLU 515.A O no hydrogen 2.922 N/A ARG 520.A N SER 516.A O no hydrogen 3.076 N/A LYS 521.A N TYR 517.A O no hydrogen 2.940 N/A LYS 521.A NZ GLU 505.A OE1 no hydrogen 2.788 N/A TYR 522.A N PHE 518.A O no hydrogen 2.834 N/A TYR 522.A OH ASP 579.A O no hydrogen 3.216 N/A ASN 523.A N LEU 519.A O no hydrogen 2.964 N/A HIS 524.A N ARG 520.A O no hydrogen 3.153 N/A HIS 524.A ND1 GLU 505.A OE1 no hydrogen 2.674 N/A VAL 525.A N LYS 521.A O no hydrogen 2.946 N/A LYS 526.A N TYR 522.A O no hydrogen 3.057 N/A LYS 526.A NZ ASP 579.A O no hydrogen 3.371 N/A LYS 526.A NZ THR 581.A O no hydrogen 2.955 N/A ALA 527.A N ASN 523.A O no hydrogen 3.084 N/A LEU 528.A N HIS 524.A O no hydrogen 2.923 N/A GLN 529.A N VAL 525.A O no hydrogen 2.855 N/A GLN 529.A NE2 THR 581.A O no hydrogen 3.522 N/A GLN 530.A N LYS 526.A O no hydrogen 3.063 N/A GLN 531.A N ALA 527.A O no hydrogen 2.941 N/A MET 532.A N LEU 528.A O no hydrogen 2.992 N/A PHE 533.A N GLN 529.A O no hydrogen 2.969 N/A TYR 534.A N GLN 530.A O no hydrogen 2.984 N/A ILE 535.A N GLN 531.A O no hydrogen 3.171 N/A ASP 536.A N MET 532.A O no hydrogen 3.093 N/A GLN 537.A N PHE 533.A O no hydrogen 2.955 N/A GLN 537.A NE2 VAL 594.A O no hydrogen 3.015 N/A THR 538.A N ILE 535.A O no hydrogen 3.174 N/A THR 538.A OG1 TYR 534.A O no hydrogen 2.757 N/A SER 539.A N ILE 535.A O no hydrogen 2.866 N/A ASN 540.A ND2 ARG 341.A O no hydrogen 2.916 N/A ASN 540.A ND2 GLY 547.A O no hydrogen 2.836 N/A GLN 541.A NE2 ASP 536.A O no hydrogen 3.033 N/A GLN 541.A NE2 SER 539.A O no hydrogen 2.634 N/A ASN 542.A ND2 ASN 540.A O no hydrogen 3.273 N/A ASN 542.A ND2 ASN 540.A OD1 no hydrogen 3.337 N/A ASN 542.A ND2 GLN 545.A O no hydrogen 3.036 N/A TYR 544.A N ASN 542.A OD1 no hydrogen 2.808 N/A GLN 545.A N ASN 542.A OD1 no hydrogen 2.927 N/A GLY 547.A N ASN 540.A O no hydrogen 2.836 N/A VAL 548.A N ASP 536.A OD1 no hydrogen 2.823 N/A LYS 549.A N ASP 342.A O no hydrogen 2.862 N/A LYS 549.A NZ ASP 342.A OD2 no hydrogen 2.885 N/A LYS 549.A NZ ASP 536.A OD1 no hydrogen 2.840 N/A LYS 549.A NZ ASP 536.A OD2 no hydrogen 3.452 N/A ARG 553.A N GLU 433.A OE2 no hydrogen 3.010 N/A ARG 553.A NH1 ASP 421.A OD2 no hydrogen 3.461 N/A LYS 556.A N ALA 551.A O no hydrogen 2.947 N/A LYS 556.A NZ ASP 560.A OD1 no hydrogen 3.150 N/A LYS 556.A NZ ASP 560.A OD2 no hydrogen 3.504 N/A LEU 558.A N VAL 554.A O no hydrogen 3.069 N/A ILE 559.A N ILE 555.A O no hydrogen 3.039 N/A ASP 560.A N LYS 556.A O no hydrogen 2.941 N/A ARG 561.A N PRO 557.A O no hydrogen 2.954 N/A THR 562.A N LEU 558.A O no hydrogen 2.948 N/A THR 562.A OG1 LEU 558.A O no hydrogen 2.765 N/A PHE 563.A N ILE 559.A O no hydrogen 2.906 N/A ALA 564.A N ASP 560.A O no hydrogen 2.923 N/A THR 565.A N ARG 561.A O no hydrogen 2.990 N/A THR 565.A OG1 ARG 561.A O no hydrogen 2.711 N/A VAL 566.A N THR 562.A O no hydrogen 2.904 N/A VAL 567.A N PHE 563.A O no hydrogen 3.067 N/A LYS 568.A N ALA 564.A O no hydrogen 3.156 N/A PHE 569.A N THR 565.A O no hydrogen 3.043 N/A PHE 570.A N VAL 566.A O no hydrogen 2.923 N/A ASN 571.A N VAL 567.A O no hydrogen 2.905 N/A ASN 571.A ND2 LEU 578.A O no hydrogen 2.996 N/A GLN 572.A N LYS 568.A O no hydrogen 2.954 N/A LYS 573.A N PHE 569.A O no hydrogen 2.909 N/A PHE 574.A N PHE 570.A O no hydrogen 2.863 N/A ALA 576.A N ASN 571.A O no hydrogen 3.132 N/A LEU 578.A N ASN 571.A OD1 no hydrogen 3.077 N/A ASP 579.A N TYR 522.A OH no hydrogen 3.010 N/A THR 581.A N ASP 579.A OD1 no hydrogen 2.956 N/A THR 581.A OG1 ASP 579.A OD1 no hydrogen 2.813 N/A THR 581.A OG1 ASP 579.A OD2 no hydrogen 3.315 N/A LYS 588.A N GLU 607.A O no hydrogen 2.709 N/A GLN 593.A N LEU 600.A O no hydrogen 2.785 N/A LYS 595.A N ARG 598.A O no hydrogen 2.971 N/A ASN 597.A ND2 ILE 642.A O no hydrogen 2.806 N/A ARG 598.A N LYS 595.A O no hydrogen 2.759 N/A VAL 599.A N LEU 640.A O no hydrogen 2.762 N/A LEU 600.A N GLN 593.A O no hydrogen 3.043 N/A ILE 601.A N PHE 638.A O no hydrogen 3.279 N/A SER 602.A N PRO 591.A O no hydrogen 3.052 N/A SER 602.A OG PRO 591.A O no hydrogen 2.566 N/A ILE 606.A N VAL 634.A O no hydrogen 3.071 N/A GLU 607.A N LYS 588.A O no hydrogen 2.935 N/A LEU 608.A N LYS 632.A O no hydrogen 2.785 N/A ASP 609.A N HIS 587.A ND1 no hydrogen 3.342 N/A TYR 612.A N VAL 631.A O no hydrogen 2.751 N/A TYR 612.A OH ASP 609.A OD1 no hydrogen 2.811 N/A GLY 614.A N ALA 629.A O no hydrogen 2.963 N/A GLU 615.A N THR 641.A O no hydrogen 2.770 N/A ASN 616.A N THR 641.A O no hydrogen 3.336 N/A ASN 616.A ND2 GLN 618.A OE1 no hydrogen 3.409 N/A ILE 617.A N ALA 624.A O no hydrogen 3.248 N/A GLN 618.A N VAL 639.A O no hydrogen 2.882 N/A ILE 619.A N LEU 622.A O no hydrogen 3.084 N/A ASN 620.A N GLN 637.A O no hydrogen 2.770 N/A ALA 624.A N ILE 617.A O no hydrogen 2.954 N/A LEU 626.A N GLU 615.A O no hydrogen 2.903 N/A LYS 628.A NZ GLU 615.A OE2 no hydrogen 2.796 N/A LYS 628.A NZ GLU 643.A OE2 no hydrogen 3.197 N/A ALA 629.A N LEU 626.A O no hydrogen 2.750 N/A VAL 631.A N TYR 612.A O no hydrogen 2.604 N/A LYS 632.A NZ LEU 608.A O no hydrogen 3.020 N/A VAL 634.A N ILE 606.A O no hydrogen 3.109 N/A ARG 635.A NH1 GLU 605.A OE1 no hydrogen 3.544 N/A PHE 636.A N VAL 604.A O no hydrogen 3.041 N/A VAL 639.A N GLN 618.A O no hydrogen 3.166 N/A LEU 640.A N VAL 599.A O no hydrogen 3.056 N/A THR 641.A N ASN 616.A O no hydrogen 2.805 N/A ILE 642.A N ASN 597.A O no hydrogen 3.004 N/A GLU 643.A N PRO 613.A O no hydrogen 2.940 N/A LYS 644.A NZ ALA 596.A O no hydrogen 3.335 N/A