Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7k3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ TYR 29.A O no hydrogen 3.421 N/A GLU 5.A N SER 2.A OG no hydrogen 3.042 N/A ARG 6.A N SER 2.A O no hydrogen 3.036 N/A ILE 7.A N LYS 3.A O no hydrogen 3.186 N/A SER 8.A N ILE 4.A O no hydrogen 2.911 N/A SER 8.A OG PHE 47.A O no hydrogen 2.497 N/A SER 8.A OG ARG 48.A O no hydrogen 3.342 N/A ALA 9.A N GLU 5.A O no hydrogen 2.432 N/A PHE 10.A N ARG 6.A O no hydrogen 2.999 N/A LEU 11.A N ILE 7.A O no hydrogen 2.880 N/A ASN 12.A N SER 8.A O no hydrogen 3.119 N/A ASN 12.A ND2 SER 8.A O no hydrogen 3.586 N/A ASN 12.A ND2 ARG 48.A O no hydrogen 3.338 N/A ASP 13.A N ALA 9.A O no hydrogen 2.788 N/A LYS 14.A N PHE 10.A O no hydrogen 2.897 N/A LYS 14.A N LEU 11.A O no hydrogen 3.280 N/A GLU 15.A N ASN 12.A O no hydrogen 3.496 N/A VAL 16.A N LEU 11.A O no hydrogen 2.904 N/A ASP 17.A N SER 96.A O no hydrogen 3.135 N/A MET 18.A N SER 96.A O no hydrogen 3.373 N/A THR 19.A N ILE 46.A O no hydrogen 3.084 N/A THR 19.A OG1 LEU 44.A O no hydrogen 2.850 N/A PHE 20.A N ALA 98.A O no hydrogen 2.910 N/A ILE 21.A N LEU 44.A O no hydrogen 3.064 N/A THR 22.A OG1 ASP 103.A OD1 no hydrogen 2.618 N/A ASN 23.A N GLU 100.A OE1 no hydrogen 2.953 N/A THR 25.A OG1 ASN 23.A OD1 no hydrogen 2.612 N/A THR 26.A OG1 GLU 100.A OE2 no hydrogen 2.662 N/A LEU 27.A N ASN 23.A O no hydrogen 3.028 N/A ASN 28.A N PRO 24.A O no hydrogen 3.103 N/A TYR 29.A N THR 25.A O no hydrogen 2.781 N/A LEU 30.A N THR 26.A O no hydrogen 2.855 N/A THR 31.A N LEU 27.A O no hydrogen 2.770 N/A THR 31.A OG1 LEU 27.A O no hydrogen 2.913 N/A GLY 32.A N ASN 28.A O no hydrogen 2.967 N/A LEU 33.A N THR 31.A OG1 no hydrogen 3.268 N/A HIS 38.A N ASP 36.A OD1 no hydrogen 3.228 N/A ARG 40.A N PRO 37.A O no hydrogen 3.058 N/A ARG 40.A NH1 TYR 76.A OH no hydrogen 3.400 N/A ARG 40.A NH2 GLU 39.A OE1 no hydrogen 3.369 N/A ILE 41.A N TYR 76.A OH no hydrogen 2.892 N/A GLY 43.A N PHE 55.A O no hydrogen 2.767 N/A LEU 44.A N ILE 21.A O no hydrogen 2.905 N/A MET 45.A N MET 53.A O no hydrogen 2.652 N/A ILE 46.A N THR 19.A OG1 no hydrogen 3.018 N/A ARG 48.A NE ASN 12.A OD1 no hydrogen 3.133 N/A ARG 48.A NH1 GLU 15.A OE1 no hydrogen 3.136 N/A ARG 48.A NH2 ASN 12.A OD1 no hydrogen 3.381 N/A ARG 48.A NH2 GLU 15.A OE1 no hydrogen 3.049 N/A MET 53.A N MET 45.A O no hydrogen 2.791 N/A PHE 55.A N GLY 43.A O no hydrogen 3.075 N/A THR 56.A N PHE 74.A O no hydrogen 3.199 N/A THR 56.A OG1 PRO 57.A O no hydrogen 3.074 N/A ALA 58.A N TYR 76.A O no hydrogen 3.016 N/A GLU 60.A N PRO 57.A O no hydrogen 2.604 N/A VAL 61.A N ALA 58.A O no hydrogen 3.165 N/A ALA 64.A N VAL 61.A O no hydrogen 3.171 N/A LYS 65.A N VAL 61.A O no hydrogen 3.065 N/A GLU 66.A N GLU 62.A O no hydrogen 2.769 N/A SER 69.A OG THR 31.A O no hydrogen 3.005 N/A SER 69.A OG HIS 67.A O no hydrogen 3.280 N/A PHE 74.A N LEU 54.A O no hydrogen 2.951 N/A GLU 77.A N GLN 80.A OE1 no hydrogen 2.547 N/A SER 79.A N GLU 77.A O no hydrogen 2.328 N/A GLN 80.A N GLU 77.A O no hydrogen 2.979 N/A GLU 84.A N ASN 81.A OD1 no hydrogen 2.885 N/A VAL 85.A N ASN 81.A O no hydrogen 2.698 N/A VAL 86.A N PRO 82.A O no hydrogen 2.804 N/A LYS 87.A N TRP 83.A O no hydrogen 2.761 N/A ASN 88.A N GLU 84.A O no hydrogen 3.307 N/A HIS 89.A N VAL 85.A O no hydrogen 3.265 N/A VAL 90.A N VAL 86.A O no hydrogen 3.129 N/A LYS 91.A NZ ASN 88.A O no hydrogen 2.618 N/A SER 92.A N VAL 90.A O no hydrogen 2.973 N/A LYS 95.A N ASP 17.A OD2 no hydrogen 2.691 N/A SER 96.A OG GLU 15.A O no hydrogen 3.380 N/A ILE 97.A N ASN 120.A O no hydrogen 3.072 N/A ALA 98.A N MET 18.A O no hydrogen 3.028 N/A VAL 99.A N VAL 122.A O no hydrogen 2.824 N/A PHE 101.A N ASN 123.A OD1 no hydrogen 3.177 N/A SER 102.A OG THR 125.A OG1 no hydrogen 3.100 N/A ASP 103.A N GLU 100.A O no hydrogen 2.633 N/A ILE 104.A N GLU 100.A O no hydrogen 2.948 N/A THR 109.A N PRO 105.A O no hydrogen 3.022 N/A GLU 110.A N LEU 106.A O no hydrogen 3.047 N/A GLU 110.A N ALA 107.A O no hydrogen 2.900 N/A GLY 111.A N ALA 107.A O no hydrogen 2.625 N/A LEU 112.A N LYS 108.A O no hydrogen 3.144 N/A LYS 113.A N THR 109.A O no hydrogen 3.455 N/A LYS 113.A NZ GLU 110.A OE1 no hydrogen 3.439 N/A ALA 114.A N GLU 110.A O no hydrogen 2.927 N/A GLN 115.A N GLY 111.A O no hydrogen 3.409 N/A PHE 116.A N LEU 112.A O no hydrogen 2.904 N/A GLY 117.A N LYS 113.A O no hydrogen 2.802 N/A ASN 120.A N LYS 95.A O no hydrogen 2.920 N/A PHE 121.A N ASN 120.A OD1 no hydrogen 2.878 N/A VAL 122.A N ILE 97.A O no hydrogen 3.093 N/A LEU 124.A N VAL 99.A O no hydrogen 2.848 N/A THR 125.A N ASN 123.A OD1 no hydrogen 3.295 N/A THR 125.A OG1 SER 102.A OG no hydrogen 3.100 N/A THR 125.A OG1 ASN 123.A OD1 no hydrogen 3.388 N/A LEU 127.A N LEU 124.A O no hydrogen 2.939 N/A ILE 128.A N LEU 124.A O no hydrogen 3.306 N/A GLU 129.A N THR 125.A O no hydrogen 2.725 N/A ARG 130.A N PRO 126.A O no hydrogen 2.790 N/A MET 131.A N LEU 127.A O no hydrogen 2.713 N/A ARG 132.A N ILE 128.A O no hydrogen 2.775 N/A ARG 132.A NH2 ASP 301.A OD2 no hydrogen 2.911 N/A ARG 132.A NH2 GLU 304.A OE2 no hydrogen 3.134 N/A ILE 134.A N MET 131.A O no hydrogen 3.345 N/A LYS 135.A N GLY 319.A O no hydrogen 2.894 N/A LYS 135.A NZ ARG 132.A O no hydrogen 3.484 N/A LYS 135.A NZ ILE 298.A O no hydrogen 2.916 N/A LYS 135.A NZ GLU 304.A OE1 no hydrogen 3.349 N/A SER 136.A N GLU 139.A OE1 no hydrogen 3.354 N/A SER 136.A OG GLU 139.A OE1 no hydrogen 3.301 N/A ILE 140.A N SER 136.A O no hydrogen 2.964 N/A GLU 141.A N ALA 137.A O no hydrogen 2.939 N/A LYS 142.A N ASP 138.A O no hydrogen 3.021 N/A MET 143.A N GLU 139.A O no hydrogen 3.055 N/A LYS 144.A N ILE 140.A O no hydrogen 2.985 N/A VAL 145.A N GLU 141.A O no hydrogen 3.405 N/A ALA 146.A N LYS 142.A O no hydrogen 3.452 N/A GLY 147.A N MET 143.A O no hydrogen 2.823 N/A ASP 148.A N LYS 144.A O no hydrogen 2.728 N/A PHE 149.A N VAL 145.A O no hydrogen 2.878 N/A ALA 150.A N ALA 146.A O no hydrogen 3.013 N/A ASP 151.A N GLY 147.A O no hydrogen 2.957 N/A LYS 152.A N ASP 148.A O no hydrogen 2.853 N/A LYS 152.A NZ ASP 148.A OD2 no hydrogen 3.112 N/A CYS 153.A N PHE 149.A O no hydrogen 2.803 N/A CYS 153.A SG PHE 149.A O no hydrogen 3.483 N/A PHE 154.A N ALA 150.A O no hydrogen 2.873 N/A GLU 155.A N ASP 151.A O no hydrogen 3.153 N/A ILE 156.A N LYS 152.A O no hydrogen 3.186 N/A GLY 157.A N CYS 153.A O no hydrogen 2.852 N/A PHE 158.A N PHE 154.A O no hydrogen 2.787 N/A ALA 159.A N GLU 155.A O no hydrogen 2.839 N/A THR 160.A N ILE 156.A O no hydrogen 2.804 N/A THR 160.A OG1 ILE 156.A O no hydrogen 2.830 N/A ALA 161.A N GLY 157.A O no hydrogen 3.064 N/A ALA 162.A N PHE 158.A O no hydrogen 3.016 N/A ARG 164.A N ALA 161.A O no hydrogen 2.909 N/A ARG 164.A NE GLU 214.A OE1 no hydrogen 3.020 N/A ARG 164.A NE GLU 214.A OE2 no hydrogen 3.524 N/A ARG 164.A NH1 ALA 162.A O no hydrogen 2.545 N/A ARG 164.A NH1 PHE 362.A O no hydrogen 2.618 N/A ARG 164.A NH2 GLU 214.A OE2 no hydrogen 3.169 N/A THR 168.A N ASP 171.A OD2 no hydrogen 3.031 N/A THR 168.A OG1 ASN 209.A OD1 no hydrogen 3.060 N/A GLU 169.A N VAL 210.A O no hydrogen 2.863 N/A SER 170.A N GLU 208.A O no hydrogen 3.134 N/A ASP 171.A N THR 168.A OG1 no hydrogen 3.043 N/A ILE 172.A N THR 168.A O no hydrogen 3.146 N/A VAL 173.A N GLU 169.A O no hydrogen 2.985 N/A ALA 174.A N SER 170.A O no hydrogen 2.975 N/A LYS 175.A N ASP 171.A O no hydrogen 3.029 N/A LYS 175.A NZ GLU 179.A OE2 no hydrogen 2.419 N/A ILE 176.A N ILE 172.A O no hydrogen 2.973 N/A GLU 177.A N VAL 173.A O no hydrogen 2.853 N/A TYR 178.A N ALA 174.A O no hydrogen 2.646 N/A GLU 179.A N LYS 175.A O no hydrogen 3.162 N/A MET 180.A N ILE 176.A O no hydrogen 3.079 N/A LYS 181.A N GLU 177.A O no hydrogen 2.933 N/A LYS 181.A NZ PRO 186.A O no hydrogen 3.098 N/A ARG 182.A N TYR 178.A O no hydrogen 2.897 N/A MET 183.A N GLU 179.A O no hydrogen 3.170 N/A MET 183.A N MET 180.A O no hydrogen 2.896 N/A GLY 184.A N LYS 181.A O no hydrogen 3.056 N/A VAL 185.A N MET 180.A O no hydrogen 3.105 N/A SER 189.A N GLY 223.A O no hydrogen 3.161 N/A SER 189.A OG SER 231.A O no hydrogen 2.741 N/A THR 192.A OG1 GLU 177.A OE2 no hydrogen 2.620 N/A LEU 193.A N ASP 221.A O no hydrogen 2.989 N/A LEU 195.A N LEU 219.A O no hydrogen 3.215 N/A SER 196.A N GLU 169.A OE2 no hydrogen 2.897 N/A GLY 197.A N LEU 217.A O no hydrogen 2.733 N/A ARG 199.A N SER 196.A O no hydrogen 3.218 N/A ARG 199.A NE GLU 169.A OE2 no hydrogen 2.922 N/A ARG 199.A NH1 GLU 208.A OE2 no hydrogen 3.253 N/A ARG 199.A NH2 GLU 169.A OE1 no hydrogen 3.070 N/A ARG 199.A NH2 GLU 208.A OE2 no hydrogen 3.065 N/A ALA 200.A N GLY 197.A O no hydrogen 3.122 N/A ALA 201.A N ALA 198.A O no hydrogen 3.079 N/A ASN 202.A N ARG 199.A O no hydrogen 3.227 N/A HIS 204.A N ASN 202.A OD1 no hydrogen 2.682 N/A GLY 205.A N ASN 202.A O no hydrogen 2.922 N/A GLU 208.A N GLU 169.A OE1 no hydrogen 3.216 N/A ILE 212.A N VAL 167.A O no hydrogen 3.187 N/A GLN 213.A N SER 196.A OG no hydrogen 3.132 N/A LYS 216.A NZ ASP 246.A OD2 no hydrogen 2.724 N/A LYS 216.A NZ LYS 333.A O no hydrogen 3.232 N/A LEU 218.A N ILE 237.A O no hydrogen 2.651 N/A LEU 219.A N LEU 195.A O no hydrogen 2.661 N/A PHE 220.A N ARG 235.A O no hydrogen 2.506 N/A ASP 221.A N LEU 193.A O no hydrogen 3.121 N/A LEU 222.A N ALA 233.A O no hydrogen 2.833 N/A VAL 224.A N SER 231.A OG no hydrogen 2.914 N/A MET 225.A N GLN 187.A O no hydrogen 3.083 N/A SER 226.A N TYR 229.A O no hydrogen 2.993 N/A TYR 229.A N SER 226.A O no hydrogen 3.315 N/A ALA 230.A N GLY 299.A O no hydrogen 2.826 N/A SER 231.A N VAL 224.A O no hydrogen 3.122 N/A SER 231.A OG ALA 146.A O no hydrogen 2.890 N/A SER 231.A OG VAL 224.A O no hydrogen 3.346 N/A ALA 233.A N LEU 222.A O no hydrogen 2.922 N/A THR 234.A N GLU 339.A O no hydrogen 2.953 N/A THR 234.A OG1 GLU 339.A OE1 no hydrogen 2.900 N/A ARG 235.A N PHE 220.A O no hydrogen 2.648 N/A ARG 235.A NE THR 355.A O no hydrogen 3.330 N/A ARG 235.A NE ASP 356.A O no hydrogen 2.995 N/A ARG 235.A NH1 THR 234.A O no hydrogen 3.149 N/A ARG 235.A NH1 ASP 340.A OD1 no hydrogen 3.340 N/A ARG 235.A NH2 ASP 340.A OD1 no hydrogen 3.290 N/A ARG 235.A NH2 THR 355.A O no hydrogen 2.559 N/A THR 236.A OG1 ARG 337.A O no hydrogen 3.290 N/A ILE 237.A N LEU 218.A O no hydrogen 2.919 N/A ALA 238.A N LEU 360.A O no hydrogen 2.793 N/A ILE 239.A N LYS 216.A O no hydrogen 3.051 N/A ASN 243.A N ASN 243.A OD1 no hydrogen 2.636 N/A ASN 243.A ND2 ASP 246.A OD1 no hydrogen 3.488 N/A ALA 247.A N ASN 243.A O no hydrogen 3.047 N/A GLU 248.A N PHE 245.A O no hydrogen 2.641 N/A ILE 249.A N PHE 245.A O no hydrogen 2.962 N/A HIS 250.A N ASP 246.A O no hydrogen 3.001 N/A HIS 250.A NE2 HIS 357.A O no hydrogen 2.958 N/A LYS 251.A N ALA 247.A O no hydrogen 3.050 N/A ILE 252.A N GLU 248.A O no hydrogen 2.834 N/A VAL 253.A N ILE 249.A O no hydrogen 3.155 N/A LYS 254.A N HIS 250.A O no hydrogen 2.803 N/A LYS 254.A NZ ASP 358.A OD1 no hydrogen 3.514 N/A GLU 255.A N LYS 251.A O no hydrogen 2.930 N/A ALA 256.A N ILE 252.A O no hydrogen 2.881 N/A GLN 257.A N VAL 253.A O no hydrogen 2.767 N/A GLN 257.A NE2 ASN 324.A O no hydrogen 3.301 N/A GLN 257.A NE2 ASP 340.A OD2 no hydrogen 2.673 N/A GLN 258.A N LYS 254.A O no hydrogen 2.854 N/A ALA 259.A N GLU 255.A O no hydrogen 2.647 N/A ALA 260.A N ALA 256.A O no hydrogen 3.086 N/A MET 261.A N GLN 257.A O no hydrogen 3.210 N/A ASP 262.A N GLN 258.A O no hydrogen 2.982 N/A PHE 263.A N ALA 259.A O no hydrogen 3.025 N/A PHE 263.A N ALA 260.A O no hydrogen 3.001 N/A ILE 264.A N MET 261.A O no hydrogen 3.349 N/A GLY 267.A N ILE 316.A O no hydrogen 2.950 N/A VAL 268.A N LYS 265.A O no hydrogen 3.278 N/A THR 269.A N GLU 272.A OE1 no hydrogen 2.852 N/A ALA 270.A N LEU 314.A O no hydrogen 3.165 N/A HIS 271.A N ASN 312.A O no hydrogen 2.823 N/A HIS 271.A ND1 ALA 310.A O no hydrogen 2.204 N/A GLU 272.A N THR 269.A OG1 no hydrogen 3.092 N/A VAL 273.A N THR 269.A O no hydrogen 2.831 N/A ASP 274.A N ALA 270.A O no hydrogen 2.654 N/A ALA 275.A N HIS 271.A O no hydrogen 2.669 N/A VAL 276.A N GLU 272.A O no hydrogen 2.910 N/A ARG 278.A N ASP 274.A O no hydrogen 2.842 N/A ARG 278.A NE ASP 274.A OD1 no hydrogen 2.443 N/A ARG 278.A NE ASP 274.A OD2 no hydrogen 3.411 N/A ARG 278.A NH1 PHE 290.A O no hydrogen 2.905 N/A ARG 278.A NH2 ASP 274.A OD2 no hydrogen 3.309 N/A ARG 278.A NH2 HIS 292.A O no hydrogen 2.488 N/A ASP 279.A N ALA 275.A O no hydrogen 2.610 N/A LEU 280.A N VAL 276.A O no hydrogen 3.384 N/A ILE 281.A N ALA 277.A O no hydrogen 3.343 N/A THR 282.A N ARG 278.A O no hydrogen 2.894 N/A THR 282.A OG1 ASP 279.A O no hydrogen 3.171 N/A LYS 283.A N ASP 279.A O no hydrogen 2.936 N/A ALA 284.A N LEU 280.A O no hydrogen 3.331 N/A GLY 285.A N THR 282.A O no hydrogen 2.741 N/A TYR 286.A N ILE 281.A O no hydrogen 3.327 N/A TYR 289.A N TYR 286.A O no hydrogen 2.583 N/A PHE 290.A N GLY 287.A O no hydrogen 3.347 N/A HIS 292.A ND1 SER 293.A O no hydrogen 2.726 N/A HIS 292.A NE2 TYR 329.A OH no hydrogen 2.693 N/A LEU 294.A N ASP 274.A OD2 no hydrogen 3.062 N/A GLY 295.A N ILE 308.A O no hydrogen 3.414 N/A HIS 296.A N SER 323.A OG no hydrogen 3.083 N/A HIS 296.A NE2 GLU 339.A OE2 no hydrogen 3.212 N/A ILE 298.A N CYS 321.A O no hydrogen 2.938 N/A GLY 299.A N ASP 301.A O no hydrogen 3.001 N/A ASP 301.A N GLU 304.A OE2 no hydrogen 3.241 N/A HIS 303.A ND1 HIS 296.A ND1 no hydrogen 2.907 N/A GLU 304.A N GLY 297.A O no hydrogen 2.891 N/A ILE 308.A N GLY 295.A O no hydrogen 2.912 N/A ASN 312.A N VAL 309.A O no hydrogen 3.208 N/A ASN 312.A ND2 SER 307.A O no hydrogen 2.817 N/A LEU 314.A N ASN 312.A OD1 no hydrogen 2.909 N/A ILE 316.A N VAL 268.A O no hydrogen 2.651 N/A GLY 319.A N VAL 344.A O no hydrogen 2.997 N/A MET 320.A N GLN 317.A O no hydrogen 3.369 N/A CYS 321.A SG GLY 319.A O no hydrogen 3.727 N/A PHE 322.A N LEU 342.A O no hydrogen 3.132 N/A SER 323.A N HIS 296.A O no hydrogen 2.581 N/A SER 323.A OG GLU 325.A OE2 no hydrogen 2.761 N/A ASN 324.A N ASP 340.A O no hydrogen 2.806 N/A ASN 324.A ND2 GLN 257.A O no hydrogen 3.257 N/A GLU 325.A N LEU 294.A O no hydrogen 2.832 N/A ILE 328.A N VAL 336.A O no hydrogen 3.079 N/A TYR 329.A N TYR 289.A O no hydrogen 3.108 N/A TYR 329.A OH HIS 292.A NE2 no hydrogen 2.693 N/A ILE 330.A N VAL 334.A O no hydrogen 2.839 N/A LYS 333.A N ILE 330.A O no hydrogen 2.827 N/A VAL 336.A N ILE 328.A O no hydrogen 3.022 N/A ARG 337.A N THR 236.A OG1 no hydrogen 3.298 N/A ARG 337.A NE THR 234.A OG1 no hydrogen 3.133 N/A ARG 337.A NH1 TYR 329.A OH no hydrogen 2.859 N/A ARG 337.A NH2 ASP 221.A OD2 no hydrogen 2.542 N/A GLU 339.A N THR 234.A O no hydrogen 2.977 N/A ASP 340.A N ASN 324.A O no hydrogen 3.289 N/A CYS 341.A SG ASP 232.A O no hydrogen 3.173 N/A LEU 342.A N PHE 322.A O no hydrogen 2.871 N/A TYR 343.A N GLU 350.A O no hydrogen 2.803 N/A VAL 344.A N MET 320.A O no hydrogen 2.970 N/A THR 345.A N GLY 348.A O no hydrogen 2.788 N/A GLY 348.A N THR 345.A OG1 no hydrogen 3.194 N/A CYS 349.A SG MET 261.A O no hydrogen 3.632 N/A CYS 349.A SG ILE 264.A O no hydrogen 3.757 N/A GLU 350.A N TYR 343.A O no hydrogen 2.900 N/A SER 351.A OG THR 353.A O no hydrogen 2.448 N/A PHE 352.A N CYS 341.A O no hydrogen 2.944 N/A THR 353.A N SER 351.A OG no hydrogen 2.918 N/A THR 353.A OG1 ASP 340.A OD1 no hydrogen 2.722 N/A HIS 354.A N ASP 151.A OD1 no hydrogen 3.179 N/A HIS 354.A N ASP 151.A OD2 no hydrogen 2.498 N/A THR 355.A N ASP 151.A OD1 no hydrogen 2.709 N/A THR 355.A OG1 ASP 151.A OD1 no hydrogen 2.568 N/A HIS 357.A NE2 ASP 340.A OD2 no hydrogen 2.430 N/A LEU 360.A N ASP 358.A O no hydrogen 2.731 N/A PHE 362.A N ALA 238.A O no hydrogen 2.854 N/A