Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2hs3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ SER 25.A OG no hydrogen 3.211 N/A ARG 3.A NH2 GLU 342.A OE1 no hydrogen 3.076 N/A ARG 3.A NH2 GLU 342.A OE2 no hydrogen 3.079 N/A TYR 4.A OH GLU 342.A OE2 no hydrogen 2.845 N/A LEU 5.A N LYS 1.A O no hydrogen 2.541 N/A ASN 6.A N LEU 2.A O no hydrogen 2.959 N/A ILE 7.A N ARG 3.A O no hydrogen 3.328 N/A ILE 7.A N TYR 4.A O no hydrogen 3.085 N/A LEU 8.A N TYR 4.A O no hydrogen 3.133 N/A LYS 9.A N LEU 5.A O no hydrogen 3.165 N/A GLU 10.A N ASN 6.A O no hydrogen 2.947 N/A LYS 11.A N ILE 7.A O no hydrogen 2.758 N/A LEU 12.A N LEU 8.A O no hydrogen 2.642 N/A GLY 13.A N LYS 9.A O no hydrogen 2.744 N/A GLY 13.A N GLU 10.A O no hydrogen 2.963 N/A ARG 14.A NH1 GLU 15.A O no hydrogen 3.028 N/A ARG 14.A NH1 GLU 20.A OE1 no hydrogen 2.781 N/A ARG 14.A NH2 GLU 20.A OE1 no hydrogen 3.451 N/A ARG 14.A NH2 GLU 20.A OE2 no hydrogen 2.715 N/A THR 17.A N GLU 20.A OE1 no hydrogen 2.762 N/A GLU 20.A N THR 17.A OG1 no hydrogen 3.380 N/A LEU 21.A N THR 17.A O no hydrogen 3.082 N/A GLN 22.A N PHE 18.A O no hydrogen 3.102 N/A GLN 22.A NE2 PHE 18.A O no hydrogen 3.008 N/A ALA 23.A N VAL 19.A O no hydrogen 2.909 N/A PHE 24.A N GLU 20.A O no hydrogen 2.917 N/A SER 25.A N LEU 21.A O no hydrogen 3.099 N/A SER 25.A OG LEU 21.A O no hydrogen 2.600 N/A VAL 26.A N GLN 22.A O no hydrogen 3.209 N/A VAL 26.A N ALA 23.A O no hydrogen 3.023 N/A MET 27.A N ALA 23.A O no hydrogen 2.913 N/A TRP 28.A N PHE 24.A O no hydrogen 2.752 N/A TRP 28.A NE1 LEU 335.A O no hydrogen 3.003 N/A SER 29.A N VAL 26.A O no hydrogen 3.122 N/A SER 29.A OG VAL 26.A O no hydrogen 2.658 N/A HIS 31.A N SER 193.A OG no hydrogen 3.097 N/A CYS 32.A N SER 29.A OG no hydrogen 3.360 N/A CYS 32.A SG VAL 26.A O no hydrogen 3.325 N/A GLY 33.A N SER 29.A O no hydrogen 2.685 N/A TYR 34.A N GLU 30.A O no hydrogen 2.829 N/A SER 35.A OG TYR 4.A OH no hydrogen 2.895 N/A SER 35.A OG PRO 340.A O no hydrogen 2.524 N/A HIS 36.A N GLU 30.A OE2 no hydrogen 3.094 N/A HIS 36.A ND1 GLU 30.A OE1 no hydrogen 2.679 N/A HIS 36.A NE2 ASP 449.A OD1 no hydrogen 2.815 N/A THR 37.A N TYR 34.A O no hydrogen 3.126 N/A THR 37.A OG1 TYR 34.A O no hydrogen 3.552 N/A LYS 38.A N TYR 34.A O no hydrogen 2.925 N/A ILE 41.A N THR 37.A O no hydrogen 2.900 N/A ARG 42.A N LYS 38.A O no hydrogen 3.187 N/A ARG 42.A NH1 GLU 341.A OE2 no hydrogen 3.004 N/A ARG 43.A N TYR 40.A O no hydrogen 3.255 N/A ARG 43.A NH2 GLU 346.A OE1 no hydrogen 3.453 N/A LEU 44.A N ILE 41.A O no hydrogen 3.074 N/A LYS 46.A NZ ILE 41.A O no hydrogen 3.050 N/A LYS 46.A NZ ARG 42.A O no hydrogen 3.271 N/A LYS 46.A NZ LEU 44.A O no hydrogen 2.755 N/A THR 47.A N VAL 473.A O no hydrogen 2.797 N/A THR 47.A OG1 VAL 473.A O no hydrogen 3.506 N/A ASN 52.A N GLU 50.A OE1 no hydrogen 3.125 N/A GLY 54.A N ALA 474.A O no hydrogen 2.690 N/A VAL 55.A N ASN 52.A O no hydrogen 3.269 N/A VAL 56.A N VAL 64.A O no hydrogen 2.822 N/A ASN 57.A ND2 ASP 60.A OD1 no hydrogen 2.908 N/A LEU 58.A N TYR 62.A O no hydrogen 2.760 N/A ASP 59.A N TYR 62.A O no hydrogen 3.206 N/A ASP 60.A N ASN 57.A OD1 no hydrogen 2.609 N/A TYR 61.A N ASP 59.A OD1 no hydrogen 2.893 N/A TYR 62.A N ASP 59.A OD1 no hydrogen 2.747 N/A SER 63.A N VAL 157.A O no hydrogen 2.699 N/A VAL 64.A N VAL 56.A O no hydrogen 2.723 N/A ALA 65.A N GLY 155.A O no hydrogen 2.754 N/A PHE 66.A N GLY 54.A O no hydrogen 2.845 N/A LYS 67.A N ALA 153.A O no hydrogen 2.974 N/A LYS 67.A NZ GLU 69.A OE2 no hydrogen 2.942 N/A LYS 67.A NZ ASP 93.A OD2 no hydrogen 3.455 N/A ILE 68.A N THR 440.A OG1 no hydrogen 2.930 N/A GLU 69.A N VAL 151.A O no hydrogen 2.897 N/A SER 70.A OG ASN 477.A OD1 no hydrogen 3.162 N/A HIS 71.A N VAL 149.A O no hydrogen 3.031 N/A HIS 71.A ND1 GLY 82.A O no hydrogen 2.583 N/A ASN 72.A ND2 ASN 444.A OD1 no hydrogen 2.960 N/A ASN 72.A ND2 SER 479.A OG no hydrogen 2.841 N/A HIS 73.A NE2 TYR 481.A O no hydrogen 2.947 N/A SER 75.A N HIS 71.A O no hydrogen 3.202 N/A SER 75.A OG HIS 71.A O no hydrogen 2.588 N/A ALA 76.A N ASN 72.A O no hydrogen 3.090 N/A ALA 76.A N HIS 73.A O no hydrogen 3.192 N/A GLU 78.A N PRO 74.A O no hydrogen 2.766 N/A TYR 80.A OH ASP 123.A OD2 no hydrogen 2.311 N/A ASN 81.A ND2 GLU 78.A OE1 no hydrogen 2.870 N/A GLY 82.A N GLU 78.A O no hydrogen 2.828 N/A ALA 83.A N PRO 79.A O no hydrogen 2.977 N/A ALA 84.A N TYR 80.A O no hydrogen 2.954 N/A THR 85.A N ASN 81.A O no hydrogen 2.946 N/A THR 85.A OG1 ASN 81.A O no hydrogen 2.693 N/A THR 85.A OG1 GLY 82.A O no hydrogen 3.456 N/A THR 85.A OG1 GLN 207.A OE1 no hydrogen 3.449 N/A GLY 86.A N ALA 83.A O no hydrogen 3.003 N/A VAL 87.A N ALA 83.A O no hydrogen 3.247 N/A GLY 88.A N ALA 84.A O no hydrogen 3.002 N/A GLY 89.A N THR 85.A O no hydrogen 2.852 N/A ILE 90.A N GLY 86.A O no hydrogen 3.281 N/A ILE 91.A N VAL 87.A O no hydrogen 3.002 N/A ARG 92.A N GLY 88.A O no hydrogen 3.257 N/A ARG 92.A NH1 GLU 214.A OE1 no hydrogen 3.076 N/A ARG 92.A NH1 GLN 281.A OE1 no hydrogen 3.143 N/A ARG 92.A NH2 LEU 236.A O no hydrogen 3.424 N/A ARG 92.A NH2 GLN 281.A OE1 no hydrogen 2.524 N/A ASP 93.A N GLY 89.A O no hydrogen 3.244 N/A VAL 94.A N ILE 90.A O no hydrogen 3.304 N/A LEU 95.A N ILE 91.A O no hydrogen 3.169 N/A ALA 96.A N ARG 92.A O no hydrogen 2.959 N/A MET 97.A N VAL 94.A O no hydrogen 3.284 N/A GLY 98.A N LEU 95.A O no hydrogen 2.709 N/A ALA 99.A N VAL 94.A O no hydrogen 3.277 N/A THR 102.A N ALA 154.A O no hydrogen 2.778 N/A ALA 103.A N ALA 154.A O no hydrogen 3.048 N/A ILE 104.A N PRO 131.A O no hydrogen 2.960 N/A PHE 105.A N LEU 152.A O no hydrogen 2.828 N/A ASP 106.A N GLY 134.A O no hydrogen 3.390 N/A SER 107.A N ASN 150.A O no hydrogen 2.675 N/A SER 107.A OG HIS 109.A NE2 no hydrogen 3.231 N/A SER 107.A OG GLU 136.A OE1 no hydrogen 2.508 N/A LEU 108.A N GLU 136.A O no hydrogen 2.712 N/A HIS 109.A N LEU 148.A O no hydrogen 2.925 N/A HIS 109.A NE2 SER 107.A OG no hydrogen 3.231 N/A MET 110.A N ARG 138.A O no hydrogen 3.010 N/A ILE 117.A N ILE 114.A O no hydrogen 2.991 N/A ILE 118.A N ILE 114.A O no hydrogen 3.258 N/A GLU 119.A N ASP 115.A O no hydrogen 2.794 N/A GLY 120.A N GLY 116.A O no hydrogen 2.997 N/A ILE 121.A N ILE 117.A O no hydrogen 3.395 N/A ALA 122.A N ILE 118.A O no hydrogen 3.157 N/A ASP 123.A N GLU 119.A O no hydrogen 2.998 N/A TYR 124.A N GLY 120.A O no hydrogen 3.406 N/A TYR 124.A OH GLU 282.A OE2 no hydrogen 2.474 N/A GLY 125.A N ILE 121.A O no hydrogen 2.941 N/A ASN 126.A N ALA 122.A O no hydrogen 2.792 N/A ASN 126.A ND2 ASP 373.A O no hydrogen 3.295 N/A SER 127.A N ASP 123.A O no hydrogen 2.910 N/A SER 127.A OG ASP 123.A O no hydrogen 3.043 N/A ILE 128.A N TYR 124.A O no hydrogen 3.273 N/A GLY 129.A N ASN 126.A O no hydrogen 3.196 N/A VAL 130.A N GLY 125.A O no hydrogen 3.298 N/A THR 132.A OG1 HIS 374.A NE2 no hydrogen 2.470 N/A VAL 133.A N ILE 104.A O no hydrogen 2.865 N/A GLU 136.A N ASP 106.A O no hydrogen 2.658 N/A ARG 138.A N LEU 108.A O no hydrogen 2.782 N/A ILE 139.A N GLU 361.A O no hydrogen 2.726 N/A SER 140.A N MET 110.A O no hydrogen 2.927 N/A LEU 142.A N SER 140.A OG no hydrogen 3.284 N/A TYR 143.A N SER 140.A O no hydrogen 3.049 N/A TYR 143.A OH THR 492.A OG1 no hydrogen 2.826 N/A ALA 144.A N SER 141.A O no hydrogen 3.262 N/A ASN 146.A N TYR 143.A O no hydrogen 3.182 N/A ASN 146.A ND2 THR 483.A O no hydrogen 3.436 N/A LEU 148.A N HIS 109.A O no hydrogen 2.710 N/A VAL 149.A N ASN 72.A OD1 no hydrogen 2.816 N/A ASN 150.A N SER 107.A O no hydrogen 2.963 N/A ASN 150.A ND2 ASN 444.A OD1 no hydrogen 3.403 N/A VAL 151.A N GLU 69.A O no hydrogen 2.728 N/A LEU 152.A N PHE 105.A O no hydrogen 2.801 N/A ALA 153.A N LYS 67.A O no hydrogen 2.940 N/A ALA 154.A N ALA 103.A O no hydrogen 2.931 N/A GLY 155.A N ALA 65.A O no hydrogen 2.613 N/A VAL 157.A N SER 63.A O no hydrogen 2.926 N/A ASN 159.A N TYR 61.A O no hydrogen 2.974 N/A ASN 159.A ND2 SER 63.A OG no hydrogen 2.572 N/A MET 161.A N ARG 158.A O no hydrogen 2.789 N/A SER 165.A N ASP 164.A OD1 no hydrogen 2.732 N/A ALA 167.A N LEU 248.A O no hydrogen 2.927 N/A SER 168.A N GLN 172.A OE1 no hydrogen 2.728 N/A SER 168.A OG GLN 172.A OE1 no hydrogen 3.491 N/A ARG 169.A N GLN 172.A OE1 no hydrogen 3.061 N/A ARG 169.A NH2 SER 289.A OG no hydrogen 2.614 N/A GLY 171.A N VAL 313.A O no hydrogen 2.946 N/A GLN 172.A N ARG 169.A O no hydrogen 3.364 N/A GLN 172.A NE2 GLU 231.A OE1 no hydrogen 3.177 N/A VAL 173.A N THR 288.A O no hydrogen 2.681 N/A ILE 174.A N ALA 311.A O no hydrogen 2.853 N/A VAL 175.A N VAL 286.A O no hydrogen 2.633 N/A ILE 176.A N ASP 308.A O no hydrogen 3.323 N/A PHE 177.A N MET 284.A O no hydrogen 3.021 N/A GLY 178.A N PHE 306.A O no hydrogen 2.742 N/A GLY 179.A N GLU 282.A O no hydrogen 3.079 N/A THR 181.A N PRO 264.A O no hydrogen 2.894 N/A GLY 182.A N SER 280.A OG no hydrogen 2.592 N/A ARG 183.A N GLU 267.A OE2 no hydrogen 3.075 N/A ARG 183.A NH1 GLU 274.A OE1 no hydrogen 2.625 N/A ARG 183.A NH2 ASP 269.A O no hydrogen 3.143 N/A ARG 183.A NH2 ASP 269.A OD2 no hydrogen 3.343 N/A ILE 186.A N ARG 183.A O no hydrogen 3.339 N/A HIS 187.A NE2 GLN 22.A OE1 no hydrogen 2.857 N/A GLY 188.A N GLY 185.A O no hydrogen 2.798 N/A ALA 189.A N GLU 279.A OE2 no hydrogen 3.089 N/A SER 190.A OG HIS 187.A O no hydrogen 2.675 N/A PHE 191.A N HIS 187.A O no hydrogen 2.947 N/A ALA 192.A N GLY 188.A O no hydrogen 2.817 N/A SER 193.A N SER 190.A O no hydrogen 3.022 N/A SER 193.A OG ALA 189.A O no hydrogen 2.703 N/A GLU 194.A N PHE 191.A O no hydrogen 3.350 N/A THR 197.A N THR 483.A O no hydrogen 2.937 N/A ALA 201.A N ASP 199.A O no hydrogen 2.561 N/A LYS 203.A NZ GLU 78.A OE2 no hydrogen 3.549 N/A SER 205.A N THR 202.A O no hydrogen 2.609 N/A GLN 207.A NE2 GLU 279.A OE1 no hydrogen 2.955 N/A VAL 208.A N ASP 184.A OD2 no hydrogen 2.970 N/A ASP 210.A N GLU 282.A OE2 no hydrogen 3.219 N/A ALA 213.A N ASP 210.A O no hydrogen 3.067 N/A GLU 214.A N ASP 210.A O no hydrogen 3.267 N/A LYS 215.A N PRO 211.A O no hydrogen 2.721 N/A MET 216.A N PHE 212.A O no hydrogen 3.238 N/A LEU 217.A N ALA 213.A O no hydrogen 2.753 N/A ILE 218.A N GLU 214.A O no hydrogen 2.978 N/A GLU 219.A N LYS 215.A O no hydrogen 3.260 N/A ALA 220.A N MET 216.A O no hydrogen 3.015 N/A PHE 221.A N LEU 217.A O no hydrogen 2.933 N/A LEU 222.A N ILE 218.A O no hydrogen 2.852 N/A GLU 223.A N GLU 219.A O no hydrogen 3.038 N/A MET 224.A N ALA 220.A O no hydrogen 2.999 N/A VAL 225.A N PHE 221.A O no hydrogen 2.927 N/A GLU 226.A N LEU 222.A O no hydrogen 2.831 N/A GLU 227.A N MET 224.A O no hydrogen 3.251 N/A GLY 228.A N VAL 225.A O no hydrogen 2.752 N/A LEU 229.A N MET 224.A O no hydrogen 2.949 N/A GLU 231.A N VAL 287.A O no hydrogen 2.965 N/A ALA 233.A N ASP 164.A O no hydrogen 2.824 N/A GLN 234.A N ALA 285.A O no hydrogen 3.026 N/A GLN 234.A NE2 GLU 247.A OE1 no hydrogen 2.621 N/A LEU 236.A N ARG 283.A O no hydrogen 3.123 N/A GLY 239.A N GLU 279.A OE2 no hydrogen 3.043 N/A GLY 240.A N GLY 237.A O no hydrogen 3.221 N/A LEU 242.A N LEU 276.A O no hydrogen 2.893 N/A SER 243.A N GLY 239.A O no hydrogen 3.136 N/A SER 243.A OG GLU 247.A OE1 no hydrogen 2.900 N/A ALA 244.A N GLY 240.A O no hydrogen 3.100 N/A THR 245.A N VAL 241.A O no hydrogen 2.955 N/A THR 245.A OG1 VAL 241.A O no hydrogen 2.657 N/A THR 245.A OG1 LEU 242.A O no hydrogen 3.386 N/A THR 245.A OG1 TYR 319.A OH no hydrogen 2.470 N/A SER 246.A N LEU 242.A O no hydrogen 3.099 N/A SER 246.A OG LEU 242.A O no hydrogen 2.666 N/A SER 246.A OG SER 243.A O no hydrogen 3.408 N/A GLU 247.A N SER 243.A O no hydrogen 3.131 N/A LEU 248.A N ALA 244.A O no hydrogen 3.039 N/A VAL 249.A N THR 245.A O no hydrogen 3.184 N/A ALA 250.A N SER 246.A O no hydrogen 2.699 N/A LYS 251.A N GLU 247.A O no hydrogen 2.677 N/A LYS 251.A NZ SER 165.A O no hydrogen 2.740 N/A LYS 251.A NZ GLN 234.A OE1 no hydrogen 2.815 N/A ASN 253.A N ALA 250.A O no hydrogen 3.050 N/A LEU 254.A N VAL 249.A O no hydrogen 2.756 N/A GLY 255.A N ILE 314.A O no hydrogen 2.954 N/A ALA 256.A N VAL 318.A O no hydrogen 3.067 N/A ILE 257.A N GLU 312.A O no hydrogen 3.072 N/A VAL 258.A N ARG 320.A O no hydrogen 2.672 N/A HIS 259.A N VAL 310.A O no hydrogen 2.913 N/A LEU 260.A N MET 322.A O no hydrogen 3.008 N/A ARG 262.A N HIS 259.A O no hydrogen 2.829 N/A ARG 262.A NH1 VAL 309.A O no hydrogen 3.541 N/A VAL 263.A N LEU 260.A O no hydrogen 2.999 N/A ARG 266.A N THR 181.A O no hydrogen 2.663 N/A ARG 266.A NH2 ALA 180.A O no hydrogen 2.983 N/A MET 270.A N GLU 267.A O no hydrogen 3.409 N/A GLU 271.A N GLU 274.A OE1 no hydrogen 2.645 N/A GLU 274.A N GLU 271.A O no hydrogen 3.231 N/A ILE 275.A N GLU 271.A O no hydrogen 3.285 N/A ILE 275.A N PRO 272.A O no hydrogen 3.132 N/A LEU 276.A N PRO 272.A O no hydrogen 3.112 N/A ILE 277.A N TRP 273.A O no hydrogen 2.985 N/A SER 278.A OG GLY 182.A O no hydrogen 2.540 N/A SER 278.A OG SER 280.A OG no hydrogen 3.124 N/A GLU 279.A N ASP 184.A O no hydrogen 3.306 N/A SER 280.A N SER 278.A OG no hydrogen 3.288 N/A SER 280.A OG ASP 184.A OD1 no hydrogen 2.754 N/A SER 280.A OG SER 278.A OG no hydrogen 3.124 N/A GLN 281.A NE2 GLU 279.A O no hydrogen 2.961 N/A ARG 283.A NE SER 280.A O no hydrogen 2.792 N/A ARG 283.A NH1 THR 181.A OG1 no hydrogen 2.631 N/A ARG 283.A NH2 SER 278.A O no hydrogen 2.968 N/A ARG 283.A NH2 SER 280.A O no hydrogen 3.150 N/A MET 284.A N PHE 177.A O no hydrogen 2.844 N/A ALA 285.A N GLN 234.A O no hydrogen 2.951 N/A VAL 286.A N VAL 175.A O no hydrogen 2.670 N/A VAL 287.A N GLY 232.A O no hydrogen 2.958 N/A THR 288.A N VAL 173.A O no hydrogen 2.933 N/A THR 288.A OG1 LEU 229.A O no hydrogen 3.110 N/A THR 288.A OG1 GLU 231.A OE2 no hydrogen 3.457 N/A THR 288.A OG1 SER 289.A O no hydrogen 3.471 N/A SER 289.A N GLU 231.A OE2 no hydrogen 3.182 N/A SER 289.A OG GLU 231.A OE1 no hydrogen 3.406 N/A SER 289.A OG GLU 231.A OE2 no hydrogen 3.013 N/A LYS 292.A NZ GLY 228.A O no hydrogen 3.157 N/A LYS 292.A NZ GLU 231.A OE2 no hydrogen 2.773 N/A ARG 295.A NH1 GLU 227.A OE2 no hydrogen 3.283 N/A ILE 296.A N LYS 292.A O no hydrogen 3.132 N/A LEU 297.A N ALA 293.A O no hydrogen 3.108 N/A GLU 298.A N SER 294.A O no hydrogen 2.955 N/A ILE 299.A N ARG 295.A O no hydrogen 2.856 N/A ALA 300.A N ILE 296.A O no hydrogen 2.868 N/A ARG 301.A N LEU 297.A O no hydrogen 2.945 N/A LYS 302.A N GLU 298.A O no hydrogen 2.960 N/A HIS 303.A N ALA 300.A O no hydrogen 3.004 N/A HIS 303.A NE2 GLU 223.A OE1 no hydrogen 2.837 N/A LEU 304.A N ARG 301.A O no hydrogen 3.054 N/A LEU 305.A N ALA 300.A O no hydrogen 3.006 N/A PHE 306.A N GLY 178.A O no hydrogen 2.908 N/A ASP 308.A N ILE 176.A O no hydrogen 3.290 N/A VAL 309.A N ASP 308.A OD1 no hydrogen 2.630 N/A VAL 310.A N ILE 174.A O no hydrogen 3.018 N/A ALA 311.A N ILE 174.A O no hydrogen 3.322 N/A GLU 312.A N ILE 257.A O no hydrogen 3.078 N/A VAL 313.A N GLN 172.A O no hydrogen 2.794 N/A ILE 314.A N GLY 255.A O no hydrogen 2.876 N/A VAL 318.A N GLU 316.A O no hydrogen 2.843 N/A TYR 319.A N VAL 331.A O no hydrogen 2.679 N/A TYR 319.A OH THR 245.A OG1 no hydrogen 2.470 N/A ARG 320.A N ALA 256.A O no hydrogen 2.884 N/A ARG 320.A NE GLU 330.A OE2 no hydrogen 2.656 N/A ARG 320.A NH2 GLU 330.A OE2 no hydrogen 3.396 N/A VAL 321.A N MET 329.A O no hydrogen 2.785 N/A MET 322.A N VAL 258.A O no hydrogen 2.626 N/A TYR 323.A N ASP 326.A O no hydrogen 2.860 N/A ARG 324.A N ASP 261.A OD1 no hydrogen 2.831 N/A ASP 326.A N TYR 323.A O no hydrogen 2.986 N/A VAL 328.A N VAL 321.A O no hydrogen 2.704 N/A MET 329.A N VAL 321.A O no hydrogen 3.258 N/A VAL 331.A N TYR 319.A O no hydrogen 3.041 N/A VAL 333.A N PRO 317.A O no hydrogen 3.097 N/A GLN 334.A NE2 ALA 250.A O no hydrogen 2.922 N/A LEU 335.A N PRO 332.A O no hydrogen 3.066 N/A ALA 337.A N VAL 333.A O no hydrogen 3.009 N/A ASN 338.A ND2 GLN 334.A O no hydrogen 2.582 N/A ASN 338.A ND2 GLN 334.A OE1 no hydrogen 2.840 N/A GLU 342.A N SER 35.A O no hydrogen 3.131 N/A VAL 345.A N TYR 40.A OH no hydrogen 2.807 N/A LYS 356.A N GLN 412.A OE1 no hydrogen 2.848 N/A GLU 362.A N GLU 361.A OE1 no hydrogen 3.329 N/A GLU 367.A N ASN 364.A O no hydrogen 2.982 N/A VAL 368.A N ALA 365.A O no hydrogen 2.976 N/A PHE 369.A N ALA 365.A O no hydrogen 2.624 N/A PHE 369.A N ARG 366.A O no hydrogen 3.234 N/A ASP 373.A N GLU 370.A O no hydrogen 3.083 N/A HIS 374.A N PHE 369.A O no hydrogen 2.902 N/A HIS 374.A ND1 ASN 126.A OD1 no hydrogen 2.761 N/A HIS 374.A NE2 THR 132.A OG1 no hydrogen 2.470 N/A GLY 377.A N THR 132.A O no hydrogen 2.692 N/A THR 380.A OG1 GLY 377.A O no hydrogen 3.255 N/A THR 380.A OG1 VAL 382.A O no hydrogen 3.408 N/A VAL 381.A N VAL 390.A O no hydrogen 2.861 N/A PHE 386.A N PRO 383.A O no hydrogen 3.118 N/A GLY 387.A N PRO 384.A O no hydrogen 3.092 N/A ALA 389.A N LEU 401.A O no hydrogen 3.029 N/A MET 391.A N TYR 399.A O no hydrogen 2.950 N/A ILE 393.A N GLY 397.A O no hydrogen 2.873 N/A LYS 394.A N GLY 397.A O no hydrogen 3.047 N/A GLY 397.A N LYS 394.A O no hydrogen 3.090 N/A TYR 399.A N MET 391.A O no hydrogen 3.156 N/A SER 400.A N GLY 499.A O no hydrogen 2.876 N/A LEU 401.A N ALA 389.A O no hydrogen 2.743 N/A VAL 402.A N MET 497.A O no hydrogen 2.979 N/A HIS 404.A N VAL 495.A O no hydrogen 2.950 N/A HIS 404.A NE2 GLU 424.A OE1 no hydrogen 2.804 N/A SER 405.A OG GLU 136.A OE2 no hydrogen 2.701 N/A ARG 406.A NE ASP 408.A OD1 no hydrogen 2.831 N/A ARG 406.A NH1 GLU 424.A OE1 no hydrogen 2.918 N/A ARG 406.A NH1 PRO 575.A O no hydrogen 3.496 N/A ARG 406.A NH2 ASP 408.A OD1 no hydrogen 3.563 N/A ARG 406.A NH2 ASP 408.A OD2 no hydrogen 2.739 N/A ARG 406.A NH2 PRO 575.A O no hydrogen 2.878 N/A LEU 409.A N ARG 406.A O no hydrogen 2.981 N/A ALA 410.A N ARG 406.A O no hydrogen 2.884 N/A LEU 411.A N ALA 407.A O no hydrogen 2.780 N/A GLN 412.A N LEU 409.A O no hydrogen 2.788 N/A GLN 412.A NE2 LYS 356.A O no hydrogen 2.768 N/A GLN 412.A NE2 ASP 408.A O no hydrogen 3.191 N/A ASP 413.A N LEU 409.A O no hydrogen 2.956 N/A THR 414.A OG1 ALA 410.A O no hydrogen 3.337 N/A TRP 416.A N ASP 413.A OD1 no hydrogen 2.939 N/A TRP 416.A NE1 GLY 350.A O no hydrogen 2.893 N/A GLY 417.A N ASP 413.A O no hydrogen 2.897 N/A THR 418.A N THR 414.A O no hydrogen 2.967 N/A THR 418.A OG1 THR 414.A O no hydrogen 2.522 N/A LEU 419.A N TYR 415.A O no hydrogen 2.745 N/A ILE 420.A N TRP 416.A O no hydrogen 2.703 N/A ALA 421.A N GLY 417.A O no hydrogen 3.043 N/A VAL 422.A N THR 418.A O no hydrogen 3.456 N/A LEU 423.A N LEU 419.A O no hydrogen 3.305 N/A GLU 424.A N ILE 420.A O no hydrogen 2.927 N/A SER 425.A N VAL 422.A O no hydrogen 2.753 N/A SER 425.A OG ALA 421.A O no hydrogen 2.817 N/A VAL 426.A N VAL 422.A O no hydrogen 3.043 N/A VAL 426.A N LEU 423.A O no hydrogen 2.892 N/A ARG 427.A N LEU 423.A O no hydrogen 3.091 N/A ARG 427.A NE GLU 527.A OE2 no hydrogen 2.871 N/A ARG 427.A NH1 HIS 577.A O no hydrogen 2.769 N/A ARG 427.A NH2 GLU 527.A OE1 no hydrogen 2.883 N/A ARG 427.A NH2 GLU 527.A OE2 no hydrogen 3.522 N/A ARG 427.A NH2 HIS 577.A O no hydrogen 3.178 N/A LYS 428.A N GLU 424.A O no hydrogen 3.187 N/A LYS 428.A NZ SER 546.A O no hydrogen 2.930 N/A THR 429.A N SER 425.A O no hydrogen 3.232 N/A THR 429.A OG1 SER 425.A O no hydrogen 2.863 N/A LEU 430.A N VAL 426.A O no hydrogen 2.932 N/A SER 431.A N ARG 427.A O no hydrogen 2.750 N/A SER 431.A OG ARG 427.A O no hydrogen 2.615 N/A VAL 432.A N THR 429.A O no hydrogen 3.260 N/A GLY 433.A N LEU 430.A O no hydrogen 2.715 N/A ALA 434.A N THR 429.A O no hydrogen 3.109 N/A GLU 435.A N LYS 500.A O no hydrogen 2.747 N/A LEU 437.A N LEU 498.A O no hydrogen 2.730 N/A ALA 438.A N LEU 498.A O no hydrogen 3.332 N/A ILE 439.A N PRO 472.A O no hydrogen 2.894 N/A THR 440.A N GLY 496.A O no hydrogen 2.679 N/A THR 440.A OG1 SER 475.A OG no hydrogen 2.806 N/A ASN 441.A N SER 475.A O no hydrogen 3.241 N/A ASN 441.A ND2 SER 475.A O no hydrogen 3.354 N/A CYS 442.A N VAL 494.A O no hydrogen 2.994 N/A CYS 442.A SG ASN 150.A OD1 no hydrogen 3.101 N/A CYS 442.A SG ASN 444.A OD1 no hydrogen 3.540 N/A CYS 442.A SG ASN 477.A OD1 no hydrogen 3.740 N/A VAL 443.A N ASN 477.A O no hydrogen 2.660 N/A ASN 444.A N THR 492.A O no hydrogen 3.035 N/A ASN 444.A ND2 ASN 150.A OD1 no hydrogen 2.606 N/A ASN 444.A ND2 THR 492.A O no hydrogen 3.348 N/A TYR 445.A N SER 479.A O no hydrogen 2.700 N/A TYR 445.A OH ASP 451.A O no hydrogen 2.600 N/A ASP 449.A N ASP 447.A OD1 no hydrogen 2.714 N/A VAL 450.A N ASP 447.A OD1 no hydrogen 2.885 N/A ASP 451.A N ASP 447.A O no hydrogen 2.965 N/A GLY 454.A N ASP 451.A OD1 no hydrogen 2.994 N/A SER 456.A N PRO 452.A O no hydrogen 3.064 N/A SER 456.A OG VAL 345.A O no hydrogen 2.485 N/A ALA 457.A N VAL 453.A O no hydrogen 2.707 N/A MET 458.A N GLY 454.A O no hydrogen 3.108 N/A MET 459.A N LEU 455.A O no hydrogen 2.851 N/A THR 460.A N SER 456.A O no hydrogen 2.790 N/A THR 460.A OG1 SER 456.A O no hydrogen 2.686 N/A LEU 462.A N MET 458.A O no hydrogen 3.227 N/A LYS 463.A N MET 459.A O no hydrogen 3.212 N/A LYS 463.A NZ GLU 467.A OE1 no hydrogen 3.359 N/A LYS 463.A NZ GLU 467.A OE2 no hydrogen 2.939 N/A ASN 464.A N THR 460.A O no hydrogen 3.016 N/A ASN 464.A ND2 TYR 415.A OH no hydrogen 2.574 N/A ALA 465.A N ALA 461.A O no hydrogen 2.682 N/A CYS 466.A N LEU 462.A O no hydrogen 2.958 N/A CYS 466.A SG LEU 462.A O no hydrogen 3.016 N/A CYS 466.A SG VAL 471.A O no hydrogen 3.319 N/A GLU 467.A N LYS 463.A O no hydrogen 2.878 N/A PHE 468.A N ASN 464.A O no hydrogen 2.681 N/A SER 469.A N ALA 465.A O no hydrogen 3.029 N/A SER 469.A OG ALA 465.A O no hydrogen 2.806 N/A SER 469.A OG CYS 466.A O no hydrogen 3.558 N/A GLY 470.A N CYS 466.A O no hydrogen 2.826 N/A VAL 471.A N SER 469.A OG no hydrogen 3.317 N/A VAL 473.A N PRO 45.A O no hydrogen 2.863 N/A ALA 474.A N ILE 439.A O no hydrogen 2.748 N/A SER 475.A OG PHE 66.A O no hydrogen 2.867 N/A SER 475.A OG THR 440.A OG1 no hydrogen 2.806 N/A ASN 477.A N ASN 441.A O no hydrogen 2.663 N/A ALA 478.A N TYR 34.A OH no hydrogen 3.212 N/A SER 479.A N VAL 443.A O no hydrogen 2.538 N/A TYR 481.A N GLY 446.A O no hydrogen 2.565 N/A TYR 481.A OH ASP 449.A OD2 no hydrogen 2.503 N/A ASN 482.A N TYR 445.A O no hydrogen 3.175 N/A ASN 482.A ND2 TYR 445.A O no hydrogen 3.095 N/A ASN 482.A ND2 SER 479.A OG no hydrogen 2.858 N/A TYR 484.A N LYS 487.A O no hydrogen 2.966 N/A LYS 487.A N TYR 484.A O no hydrogen 2.611 N/A ILE 489.A N ASN 482.A O no hydrogen 3.372 N/A THR 492.A N ASN 444.A O no hydrogen 2.962 N/A THR 492.A OG1 TYR 143.A OH no hydrogen 2.826 N/A THR 492.A OG1 PRO 490.A O no hydrogen 2.683 N/A VAL 494.A N CYS 442.A O no hydrogen 2.939 N/A VAL 495.A N HIS 404.A O no hydrogen 2.872 N/A GLY 496.A N THR 440.A O no hydrogen 2.687 N/A MET 497.A N VAL 402.A O no hydrogen 2.683 N/A LEU 498.A N ALA 438.A O no hydrogen 2.765 N/A GLY 499.A N SER 400.A O no hydrogen 3.030 N/A LYS 500.A N GLU 435.A O no hydrogen 2.787 N/A LYS 500.A NZ LEU 58.A O no hydrogen 2.904 N/A VAL 501.A N GLY 398.A O no hydrogen 3.250 N/A ASN 502.A ND2 GLN 504.A OE1 no hydrogen 3.487 N/A GLN 504.A N ASN 502.A OD1 no hydrogen 2.866 N/A LYS 505.A N ASN 502.A O no hydrogen 2.854 N/A SER 512.A N LEU 600.A O no hydrogen 2.821 N/A SER 512.A OG LYS 510.A O no hydrogen 3.018 N/A LYS 513.A N SER 584.A O no hydrogen 2.979 N/A VAL 514.A N GLY 598.A O no hydrogen 2.873 N/A PHE 515.A N VAL 582.A O no hydrogen 2.857 N/A ALA 516.A N LYS 595.A O no hydrogen 2.670 N/A VAL 517.A N VAL 580.A O no hydrogen 2.653 N/A GLY 518.A N PRO 593.A O no hydrogen 3.030 N/A TRP 519.A N GLN 578.A O no hydrogen 2.901 N/A GLU 523.A N GLN 578.A OE1 no hydrogen 2.867 N/A GLU 525.A N GLU 525.A OE2 no hydrogen 2.564 N/A ARG 526.A N GLU 523.A O no hydrogen 3.150 N/A ARG 526.A NE GLN 578.A OE1 no hydrogen 2.588 N/A ARG 526.A NH2 ASP 521.A O no hydrogen 2.629 N/A ARG 526.A NH2 ASP 521.A OD1 no hydrogen 2.659 N/A LYS 528.A NZ PHE 468.A O no hydrogen 3.163 N/A LEU 530.A N ARG 526.A O no hydrogen 2.923 N/A TRP 531.A N GLU 527.A O no hydrogen 2.883 N/A TRP 531.A NE1 GLU 527.A OE2 no hydrogen 2.652 N/A ARG 532.A N LYS 528.A O no hydrogen 2.877 N/A ALA 533.A N GLU 529.A O no hydrogen 2.927 N/A ILE 534.A N LEU 530.A O no hydrogen 2.887 N/A ARG 535.A N TRP 531.A O no hydrogen 2.766 N/A LYS 536.A N ARG 532.A O no hydrogen 2.982 N/A LYS 536.A NZ GLU 540.A OE2 no hydrogen 2.662 N/A LYS 536.A NZ VAL 589.A O no hydrogen 2.615 N/A LEU 537.A N ALA 533.A O no hydrogen 3.092 N/A SER 538.A N ILE 534.A O no hydrogen 2.880 N/A GLU 539.A N ARG 535.A O no hydrogen 3.031 N/A GLU 540.A N LYS 536.A O no hydrogen 3.168 N/A GLY 541.A N SER 538.A O no hydrogen 2.741 N/A ALA 542.A N LEU 537.A O no hydrogen 2.992 N/A PHE 543.A N PHE 583.A O no hydrogen 3.395 N/A LEU 545.A N LEU 581.A O no hydrogen 2.842 N/A LEU 550.A N SER 547.A O no hydrogen 2.570 N/A LEU 551.A N GLN 549.A O no hydrogen 2.427 N/A THR 552.A N HIS 555.A ND1 no hydrogen 3.102 N/A ARG 553.A NE GLU 557.A OE1 no hydrogen 2.702 N/A ARG 553.A NH1 GLU 557.A OE1 no hydrogen 3.351 N/A HIS 555.A N THR 552.A OG1 no hydrogen 3.200 N/A VAL 556.A N THR 552.A O no hydrogen 3.029 N/A GLU 557.A N ARG 553.A O no hydrogen 2.748 N/A THR 558.A N THR 554.A O no hydrogen 2.765 N/A THR 558.A OG1 THR 554.A O no hydrogen 2.719 N/A PHE 559.A N HIS 555.A O no hydrogen 2.851 N/A ARG 560.A N VAL 556.A O no hydrogen 3.302 N/A ARG 560.A N GLU 557.A O no hydrogen 3.091 N/A GLU 561.A N THR 558.A O no hydrogen 2.873 N/A TYR 562.A N PHE 559.A O no hydrogen 2.879 N/A GLY 563.A N ARG 560.A O no hydrogen 2.790 N/A LEU 564.A N PHE 559.A O no hydrogen 3.153 N/A LYS 565.A N SER 601.A O no hydrogen 2.531 N/A GLU 567.A N THR 599.A O no hydrogen 2.873 N/A LYS 569.A N ILE 597.A O no hydrogen 2.864 N/A ARG 574.A N ASN 520.A O no hydrogen 3.101 N/A ARG 574.A NH1 VAL 573.A O no hydrogen 3.541 N/A GLN 578.A N TRP 519.A O no hydrogen 3.146 N/A GLN 578.A NE2 GLU 523.A O no hydrogen 2.968 N/A GLN 578.A NE2 GLU 527.A OE1 no hydrogen 2.765 N/A MET 579.A N HIS 577.A ND1 no hydrogen 3.001 N/A VAL 580.A N VAL 517.A O no hydrogen 2.516 N/A LEU 581.A N LEU 545.A O no hydrogen 2.891 N/A VAL 582.A N PHE 515.A O no hydrogen 2.789 N/A PHE 583.A N PHE 543.A O no hydrogen 2.955 N/A SER 584.A N LYS 513.A O no hydrogen 3.205 N/A SER 584.A OG ARG 586.A O no hydrogen 2.713 N/A LYS 595.A N ALA 516.A O no hydrogen 3.022 N/A ILE 597.A N VAL 514.A O no hydrogen 2.714 N/A GLY 598.A N VAL 514.A O no hydrogen 3.346 N/A THR 599.A N GLU 567.A O no hydrogen 2.724 N/A LEU 600.A N SER 512.A O no hydrogen 2.819 N/A SER 601.A N LYS 565.A O no hydrogen 2.715 N/A