Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2okx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 GLU 112.A OE1 no hydrogen 3.463 N/A ARG 2.A NH2 GLU 112.A OE2 no hydrogen 3.124 N/A ARG 2.A NH2 GLU 114.A OE1 no hydrogen 3.496 N/A ASN 5.A N GLU 112.A OE1 no hydrogen 2.589 N/A ASN 5.A ND2 GLU 112.A OE2 no hydrogen 3.285 N/A ASN 5.A ND2 THR 119.A OG1 no hydrogen 3.217 N/A SER 7.A N THR 123.A O no hydrogen 2.913 N/A TRP 8.A N GLY 178.A O no hydrogen 2.859 N/A ILE 9.A N LEU 109.A O no hydrogen 2.791 N/A TRP 10.A N ARG 175.A O no hydrogen 3.030 N/A GLN 13.A N GLN 13.A OE1 no hydrogen 2.506 N/A SER 16.A OG HIS 94.A NE2 no hydrogen 2.732 N/A ARG 18.A NE SER 388.A O no hydrogen 3.175 N/A ARG 18.A NH1 ASP 222.A OD1 no hydrogen 3.421 N/A ARG 18.A NH2 ASP 222.A OD1 no hydrogen 2.760 N/A ASN 19.A N PHE 95.A O no hydrogen 2.900 N/A GLU 20.A N HIS 94.A O no hydrogen 3.023 N/A ARG 22.A N VAL 92.A O no hydrogen 2.824 N/A ARG 22.A NE GLU 20.A OE1 no hydrogen 3.294 N/A ARG 22.A NH1 THR 129.A OG1 no hydrogen 3.060 N/A ARG 22.A NH2 GLU 20.A OE1 no hydrogen 3.394 N/A CYS 23.A N GLU 130.A O no hydrogen 2.799 N/A PHE 24.A N VAL 90.A O no hydrogen 2.783 N/A ARG 25.A N ARG 128.A O no hydrogen 2.957 N/A ARG 25.A NE ASP 168.A OD2 no hydrogen 2.959 N/A ARG 25.A NH1 TRP 161.A O no hydrogen 2.788 N/A ARG 25.A NH1 LEU 163.A O no hydrogen 2.889 N/A ARG 25.A NH2 LEU 163.A O no hydrogen 3.418 N/A GLY 26.A N ILE 88.A O no hydrogen 2.778 N/A SER 27.A OG THR 87.A OG1 no hydrogen 3.394 N/A PHE 28.A N ASN 86.A O no hydrogen 3.034 N/A ALA 30.A N VAL 84.A O no hydrogen 3.051 N/A GLU 35.A N ASP 116.A OD1 no hydrogen 3.122 N/A GLY 36.A N ASP 116.A OD2 no hydrogen 2.711 N/A MET 39.A N GLU 114.A O no hydrogen 2.796 N/A LEU 40.A N TYR 74.A O no hydrogen 2.791 N/A HIS 41.A N GLU 112.A O no hydrogen 2.894 N/A HIS 41.A ND1 SER 73.A OG no hydrogen 2.693 N/A ILE 42.A N ASP 72.A O no hydrogen 2.674 N/A THR 43.A N ILE 110.A O no hydrogen 3.192 N/A THR 43.A OG1 PHE 70.A O no hydrogen 2.685 N/A ASP 45.A N GLY 108.A O no hydrogen 2.926 N/A SER 46.A N LEU 93.A O no hydrogen 2.826 N/A SER 46.A OG ASP 45.A OD1 no hydrogen 3.351 N/A ARG 47.A N LEU 93.A O no hydrogen 3.022 N/A ARG 47.A NH1 SER 46.A O no hydrogen 2.938 N/A ARG 47.A NH2 TYR 101.A O no hydrogen 2.979 N/A TYR 48.A N GLY 60.A O no hydrogen 2.621 N/A TYR 48.A OH ASP 72.A OD2 no hydrogen 2.466 N/A TYR 48.A OH TYR 74.A OH no hydrogen 2.749 N/A VAL 49.A N LEU 91.A O no hydrogen 2.874 N/A LEU 50.A N GLY 58.A O no hydrogen 2.890 N/A PHE 51.A N ALA 89.A O no hydrogen 2.825 N/A VAL 52.A N GLU 55.A O no hydrogen 2.807 N/A ASN 53.A N THR 87.A O no hydrogen 2.741 N/A ASN 53.A ND2 GLN 79.A O no hydrogen 2.703 N/A ASN 53.A ND2 ASN 86.A OD1 no hydrogen 2.821 N/A GLU 55.A N VAL 52.A O no hydrogen 3.125 N/A VAL 57.A N LEU 50.A O no hydrogen 2.692 N/A ARG 59.A NE GLU 198.A OE1 no hydrogen 3.399 N/A ARG 59.A NE GLU 198.A OE2 no hydrogen 2.874 N/A ARG 59.A NH2 GLU 198.A OE1 no hydrogen 2.982 N/A GLY 60.A N TYR 48.A O no hydrogen 3.168 N/A ARG 63.A N ASP 561.A OD1 no hydrogen 3.112 N/A ARG 63.A NE ASP 561.A OD1 no hydrogen 2.934 N/A ARG 63.A NE ASP 561.A OD2 no hydrogen 3.297 N/A ARG 63.A NH1 GLN 571.A O no hydrogen 2.959 N/A ARG 63.A NH2 ASP 561.A OD2 no hydrogen 2.947 N/A ARG 63.A NH2 GLN 571.A O no hydrogen 3.484 N/A SER 64.A OG VAL 62.A O no hydrogen 3.075 N/A TRP 65.A NE1 LEU 601.A O no hydrogen 2.910 N/A LYS 67.A NZ GLY 604.A O no hydrogen 3.095 N/A LYS 67.A NZ ASP 607.A OD2 no hydrogen 2.690 N/A GLU 68.A N TRP 65.A O no hydrogen 2.745 N/A GLN 69.A N SER 187.A O no hydrogen 2.878 N/A GLN 69.A NE2 THR 43.A OG1 no hydrogen 3.194 N/A PHE 70.A N SER 64.A OG no hydrogen 3.079 N/A TYR 71.A N VAL 189.A O no hydrogen 2.860 N/A ASP 72.A N ILE 42.A O no hydrogen 2.628 N/A SER 73.A OG HIS 41.A ND1 no hydrogen 2.693 N/A TYR 74.A N LEU 40.A O no hydrogen 2.841 N/A TYR 74.A OH TYR 48.A OH no hydrogen 2.749 N/A ILE 76.A N ALA 38.A O no hydrogen 2.970 N/A GLY 77.A N ASP 75.A OD1 no hydrogen 2.936 N/A GLN 79.A N ILE 76.A O no hydrogen 2.956 N/A LEU 80.A N ILE 76.A O no hydrogen 2.967 N/A ARG 81.A N ASN 86.A OD1 no hydrogen 2.807 N/A GLY 83.A N PRO 31.A O no hydrogen 2.696 N/A VAL 84.A N ARG 81.A O no hydrogen 3.481 N/A ARG 85.A NH1 PRO 164.A O no hydrogen 3.015 N/A ARG 85.A NH2 PRO 164.A O no hydrogen 3.194 N/A ASN 86.A N PHE 28.A O no hydrogen 2.744 N/A ASN 86.A ND2 ARG 81.A O no hydrogen 2.890 N/A THR 87.A N ASN 53.A OD1 no hydrogen 3.027 N/A THR 87.A OG1 SER 27.A OG no hydrogen 3.394 N/A ILE 88.A N GLY 26.A O no hydrogen 2.618 N/A ALA 89.A N PHE 51.A O no hydrogen 2.980 N/A VAL 90.A N PHE 24.A O no hydrogen 2.847 N/A LEU 91.A N VAL 49.A O no hydrogen 3.025 N/A VAL 92.A N ARG 22.A O no hydrogen 2.787 N/A LEU 93.A N ARG 47.A O no hydrogen 2.782 N/A HIS 94.A N GLU 20.A O no hydrogen 2.887 N/A HIS 94.A ND1 ASP 45.A O no hydrogen 3.199 N/A HIS 94.A NE2 SER 16.A OG no hydrogen 2.732 N/A PHE 95.A N SER 46.A OG no hydrogen 2.983 N/A SER 98.A N VAL 232.A O no hydrogen 3.038 N/A ASN 99.A N TYR 102.A O no hydrogen 2.911 N/A PHE 100.A N GLN 145.A O no hydrogen 3.194 N/A TYR 101.A N ASN 99.A OD1 no hydrogen 2.793 N/A TYR 102.A OH ASP 45.A OD1 no hydrogen 2.444 N/A TYR 102.A OH ASP 45.A OD2 no hydrogen 3.407 N/A ARG 104.A N SER 98.A OG no hydrogen 2.972 N/A ARG 104.A NE SER 16.A OG no hydrogen 2.997 N/A ARG 104.A NH1 ASN 233.A OD1 no hydrogen 2.840 N/A ARG 104.A NH2 SER 16.A O no hydrogen 3.028 N/A ARG 104.A NH2 SER 16.A OG no hydrogen 3.420 N/A GLY 105.A N TYR 102.A OH no hydrogen 3.110 N/A ARG 106.A N ASP 45.A OD2 no hydrogen 3.341 N/A GLY 107.A N GLU 15.A O no hydrogen 2.922 N/A GLY 108.A N ASP 45.A O no hydrogen 3.281 N/A LEU 109.A N ILE 9.A O no hydrogen 2.894 N/A ILE 110.A N THR 43.A O no hydrogen 3.245 N/A ALA 111.A N THR 123.A OG1 no hydrogen 3.125 N/A GLU 112.A N HIS 41.A O no hydrogen 2.936 N/A ILE 113.A N ALA 121.A O no hydrogen 2.856 N/A GLU 114.A N MET 39.A O no hydrogen 2.727 N/A ALA 115.A N ARG 118.A O no hydrogen 2.855 N/A ARG 118.A N ALA 115.A O no hydrogen 3.009 N/A THR 119.A OG1 GLU 112.A OE2 no hydrogen 3.001 N/A LEU 120.A N ILE 113.A O no hydrogen 2.722 N/A ALA 121.A N ILE 113.A O no hydrogen 3.419 N/A THR 123.A N ALA 111.A O no hydrogen 2.931 N/A THR 123.A OG1 SER 7.A O no hydrogen 2.700 N/A THR 123.A OG1 ALA 111.A O no hydrogen 3.406 N/A ALA 126.A N ASP 124.A OD2 no hydrogen 2.848 N/A TRP 127.A N ASP 124.A O no hydrogen 2.861 N/A TRP 127.A NE1 ALA 122.A O no hydrogen 2.883 N/A ARG 128.A N ARG 25.A O no hydrogen 2.986 N/A ARG 128.A NH1 TRP 171.A O no hydrogen 2.944 N/A THR 129.A N ALA 172.A O no hydrogen 2.977 N/A THR 129.A OG1 CYS 23.A O no hydrogen 2.845 N/A GLU 130.A N CYS 23.A O no hydrogen 3.220 N/A ARG 131.A NE.A GLU 20.A OE2 no hydrogen 2.902 N/A LEU 132.A N TRP 21.A O no hydrogen 2.837 N/A GLN 135.A N LEU 132.A O no hydrogen 3.271 N/A ARG 136.A N VAL 151.A O no hydrogen 3.009 N/A ARG 136.A NH1 GLU 156.A OE2 no hydrogen 2.926 N/A ARG 136.A NH2 GLU 156.A OE1 no hydrogen 2.892 N/A SER 137.A OG.B ASN 19.A O no hydrogen 2.964 N/A SER 139.A N ARG 136.A O no hydrogen 3.305 N/A SER 139.A OG ASN 19.A OD1 no hydrogen 2.628 N/A SER 139.A OG ARG 136.A O no hydrogen 3.557 N/A SER 139.A OG GLY 149.A O no hydrogen 2.873 N/A ARG 141.A NE GLN 146.A O no hydrogen 2.803 N/A ARG 141.A NE GLY 147.A O no hydrogen 3.175 N/A ARG 141.A NH2 GLN 146.A O no hydrogen 2.761 N/A MET 142.A N GLY 147.A O no hydrogen 2.828 N/A GLN 145.A N GLN 145.A OE1 no hydrogen 2.890 N/A GLN 146.A N ALA 143.A O no hydrogen 3.110 N/A GLN 146.A NE2 TYR 101.A OH no hydrogen 2.797 N/A GLY 149.A N PRO 140.A O no hydrogen 2.962 N/A GLU 150.A N GLU 150.A OE2 no hydrogen 2.753 N/A ILE 152.A N ARG 485.A O no hydrogen 2.808 N/A ASP 153.A N GLY 134.A O no hydrogen 2.945 N/A ALA 154.A N ILE 487.A O no hydrogen 2.820 N/A ARG 155.A N ASP 153.A OD2 no hydrogen 3.013 N/A ARG 155.A NE ASP 153.A OD1 no hydrogen 3.362 N/A ARG 155.A NE ASP 153.A OD2 no hydrogen 2.903 N/A ARG 155.A NH2 ASP 153.A OD1 no hydrogen 2.732 N/A GLU 156.A N ASP 153.A O no hydrogen 3.065 N/A LEU 157.A N ALA 154.A O no hydrogen 3.104 N/A TRP 161.A N ALA 158.A O no hydrogen 3.019 N/A LEU 163.A N ASP 160.A O no hydrogen 3.024 N/A PHE 166.A N LEU 163.A O no hydrogen 3.052 N/A GLY 169.A N ASP 167.A OD1 no hydrogen 3.081 N/A TRP 171.A N ASP 168.A O no hydrogen 2.907 N/A ALA 172.A N GLU 130.A OE2 no hydrogen 2.885 N/A ALA 174.A N TRP 127.A O no hydrogen 2.817 N/A ARG 175.A N TRP 10.A O no hydrogen 2.871 N/A ILE 177.A N TRP 8.A O no hydrogen 2.675 N/A THR 182.A N PRO 179.A O no hydrogen 3.213 N/A THR 182.A OG1 PRO 179.A O no hydrogen 2.675 N/A TRP 185.A NE1 ASP 45.A OD2 no hydrogen 3.131 N/A THR 186.A N PRO 184.A O no hydrogen 2.953 N/A SER 187.A N LYS 67.A O no hydrogen 3.209 N/A SER 187.A OG LYS 67.A O no hydrogen 2.711 N/A VAL 189.A N GLN 69.A O no hydrogen 2.831 N/A ARG 191.A N TYR 71.A O no hydrogen 2.924 N/A ARG 191.A NE ILE 193.A O no hydrogen 2.806 N/A ARG 191.A NE PRO 194.A O no hydrogen 3.053 N/A ARG 191.A NH1 ASP 72.A OD1 no hydrogen 2.835 N/A ARG 191.A NH2 PRO 194.A O no hydrogen 3.098 N/A THR 197.A N THR 528.A O no hydrogen 2.845 N/A THR 197.A OG1 THR 528.A O no hydrogen 3.365 N/A GLU 199.A N GLN 526.A O no hydrogen 2.925 N/A LYS 200.A NZ GLU 521.A OE2 no hydrogen 2.671 N/A LEU 201.A N ILE 524.A O no hydrogen 2.922 N/A TYR 202.A OH GLU 521.A OE1 no hydrogen 2.980 N/A ALA 204.A N ASP 440.A O no hydrogen 2.830 N/A SER 205.A N ASP 440.A O no hydrogen 3.094 N/A GLN 207.A N VAL 438.A O no hydrogen 2.842 N/A SER 210.A N GLU 436.A O no hydrogen 2.869 N/A ARG 211.A N GLU 406.A O no hydrogen 2.766 N/A ARG 211.A NE GLU 406.A OE1 no hydrogen 2.773 N/A ARG 211.A NH1 ASP 432.A O no hydrogen 2.576 N/A ARG 211.A NH2 GLU 406.A OE1 no hydrogen 3.352 N/A ARG 211.A NH2 GLU 406.A OE2 no hydrogen 2.981 N/A VAL 212.A N ASP 434.A O no hydrogen 2.945 N/A LYS 213.A N LEU 404.A O no hydrogen 3.069 N/A LYS 213.A NZ ASP 432.A OD1 no hydrogen 2.705 N/A LYS 213.A NZ ASP 432.A OD2 no hydrogen 3.093 N/A LYS 216.A N ASP 317.A OD2 no hydrogen 3.037 N/A LYS 216.A NZ ASP 317.A OD2 no hydrogen 3.087 N/A LYS 216.A NZ SER 318.A O no hydrogen 3.275 N/A TYR 217.A N ILE 316.A O no hydrogen 2.986 N/A TYR 217.A OH TYR 390.A OH no hydrogen 2.632 N/A ALA 219.A N PHE 314.A O no hydrogen 2.831 N/A ALA 220.A N THR 391.A O no hydrogen 2.931 N/A LEU 221.A N SER 312.A O no hydrogen 2.764 N/A ASP 222.A N LEU 389.A O no hydrogen 3.020 N/A ARG 224.A NH1 SER 231.A O no hydrogen 3.412 N/A ARG 224.A NH1 HIS 234.A O no hydrogen 3.063 N/A ARG 224.A NH1 ASN 236.A O no hydrogen 2.800 N/A ARG 224.A NH2 ASN 236.A O no hydrogen 2.801 N/A ARG 224.A NH2 ASP 307.A O no hydrogen 2.968 N/A ASN 225.A N ASP 222.A OD2 no hydrogen 3.195 N/A GLN 226.A N ASP 222.A O no hydrogen 3.100 N/A MET 227.A N LEU 223.A O no hydrogen 2.831 N/A VAL 228.A N ARG 224.A O no hydrogen 3.022 N/A SER 231.A N VAL 228.A O no hydrogen 2.822 N/A SER 231.A OG ARG 224.A O no hydrogen 3.270 N/A SER 231.A OG ASN 225.A OD1 no hydrogen 3.022 N/A SER 231.A OG VAL 228.A O no hydrogen 2.633 N/A ASN 233.A N GLU 230.A O no hydrogen 3.113 N/A ASN 233.A ND2 GLU 230.A O no hydrogen 3.397 N/A HIS 234.A N SER 231.A O no hydrogen 3.369 N/A ALA 235.A N ALA 619.A O no hydrogen 3.043 N/A ASN 236.A ND2 GLU 345.A OE2 no hydrogen 2.848 N/A VAL 238.A N ASP 307.A O no hydrogen 3.376 N/A SER 239.A N SER 344.A O no hydrogen 2.797 N/A TYR 240.A N SER 305.A O no hydrogen 3.011 N/A TYR 240.A OH ASP 307.A OD2 no hydrogen 2.582 N/A CYS 241.A N ASP 342.A O no hydrogen 3.022 N/A CYS 241.A SG THR 304.A OG1 no hydrogen 3.628 N/A GLY 242.A N THR 304.A OG1 no hydrogen 3.150 N/A TYR 243.A N ILE 338.A O no hydrogen 2.993 N/A TYR 243.A OH TYR 362.A O no hydrogen 2.572 N/A VAL 244.A N VAL 301.A O no hydrogen 2.882 N/A ALA 245.A N ALA 336.A O no hydrogen 2.645 N/A THR 246.A N VAL 299.A O no hydrogen 3.258 N/A THR 246.A OG1 ARG 325.A O no hydrogen 3.367 N/A THR 246.A OG1 PRO 334.A O no hydrogen 2.582 N/A ILE 247.A N ARG 325.A O no hydrogen 2.938 N/A LEU 248.A N HIS 297.A O no hydrogen 2.689 N/A THR 249.A N THR 323.A O no hydrogen 3.053 N/A LEU 250.A N GLY 295.A O no hydrogen 2.849 N/A GLU 251.A N ALA 321.A O no hydrogen 3.401 N/A SER 253.A OG LEU 292.A O no hydrogen 3.005 N/A GLY 254.A N LEU 292.A O no hydrogen 3.103 N/A VAL 256.A N LEU 290.A O no hydrogen 2.753 N/A THR 257.A N ASP 317.A O no hydrogen 2.808 N/A LEU 258.A N TYR 288.A O no hydrogen 2.885 N/A GLY 259.A N ALA 315.A O no hydrogen 2.721 N/A PHE 260.A N ARG 286.A O no hydrogen 2.785 N/A GLY 263.A N PHE 260.A O no hydrogen 2.872 N/A ARG 265.A NE SER 312.A OG no hydrogen 3.006 N/A ARG 265.A NH1 SER 305.A OG no hydrogen 3.389 N/A ARG 265.A NH1 SER 306.A O no hydrogen 3.044 N/A SER 267.A N ASP 302.A OD1 no hydrogen 3.218 N/A SER 267.A OG ASP 302.A OD1 no hydrogen 2.541 N/A TRP 270.A N LEU 300.A O no hydrogen 2.696 N/A TRP 270.A NE1 GLU 367.A OE1 no hydrogen 2.899 N/A VAL 271.A N VAL 274.A O no hydrogen 2.931 N/A ASP 272.A N LEU 298.A O no hydrogen 2.854 N/A VAL 274.A N VAL 271.A O no hydrogen 2.988 N/A GLN 276.A N VAL 269.A O no hydrogen 2.958 N/A THR 277.A OG1 GLU 278.A OE2 no hydrogen 3.144 N/A THR 280.A N TYR 287.A O no hydrogen 2.947 N/A GLU 285.A N VAL 282.A O no hydrogen 2.873 N/A ARG 286.A N PHE 260.A O no hydrogen 3.183 N/A ARG 286.A NH1 TYR 288.A OH no hydrogen 3.089 N/A TYR 287.A N THR 280.A O no hydrogen 2.841 N/A TYR 287.A OH GLU 285.A OE2 no hydrogen 2.571 N/A TYR 288.A N LEU 258.A O no hydrogen 2.823 N/A LEU 290.A N VAL 256.A O no hydrogen 2.738 N/A LEU 292.A N GLY 254.A O no hydrogen 3.143 N/A GLY 295.A N LEU 250.A O no hydrogen 2.967 N/A HIS 297.A N LEU 248.A O no hydrogen 2.744 N/A LEU 298.A N ASP 272.A OD1 no hydrogen 3.338 N/A VAL 299.A N THR 246.A O no hydrogen 2.969 N/A LEU 300.A N TRP 270.A O no hydrogen 2.725 N/A VAL 301.A N VAL 244.A O no hydrogen 2.936 N/A ASP 302.A N GLY 268.A O no hydrogen 2.916 N/A ILE 303.A N GLY 242.A O no hydrogen 3.039 N/A THR 304.A N ASP 302.A OD2 no hydrogen 2.904 N/A THR 304.A OG1 GLY 242.A O no hydrogen 3.546 N/A THR 304.A OG1 ASP 302.A OD2 no hydrogen 2.778 N/A THR 304.A OG1 TYR 362.A OH no hydrogen 3.237 N/A SER 305.A N TYR 240.A O no hydrogen 3.032 N/A SER 305.A OG ILE 303.A O no hydrogen 2.943 N/A ASP 307.A N VAL 238.A O no hydrogen 2.773 N/A HIS 308.A ND1 HIS 308.A O no hydrogen 2.987 N/A GLY 309.A N ASP 307.A OD1 no hydrogen 2.910 N/A SER 311.A OG ARG 141.A O no hydrogen 2.862 N/A SER 312.A N LEU 221.A O no hydrogen 2.796 N/A HIS 313.A NE2 ASP 481.A OD1 no hydrogen 3.004 N/A PHE 314.A N ALA 219.A O no hydrogen 3.097 N/A ALA 315.A N GLY 259.A O no hydrogen 2.912 N/A ILE 316.A N TYR 217.A O no hydrogen 2.865 N/A ASP 317.A N THR 257.A O no hydrogen 3.033 N/A SER 318.A OG VAL 255.A O no hydrogen 2.562 N/A SER 318.A OG ALA 320.A O no hydrogen 3.494 N/A ALA 320.A N SER 318.A OG no hydrogen 2.995 N/A THR 323.A N THR 249.A O no hydrogen 2.944 N/A ARG 325.A N ILE 247.A O no hydrogen 3.286 N/A ARG 325.A NH1 GLU 296.A OE1 no hydrogen 3.259 N/A ARG 325.A NH2 GLU 296.A OE1 no hydrogen 2.631 N/A ARG 325.A NH2 GLU 296.A OE2 no hydrogen 2.911 N/A SER 326.A OG LEU 335.A O no hydrogen 3.539 N/A ALA 328.A N SER 326.A OG no hydrogen 2.991 N/A ASN 331.A ND2 VAL 333.A O no hydrogen 3.485 N/A ALA 336.A N ALA 245.A O no hydrogen 2.809 N/A THR 337.A N LYS 383.A O no hydrogen 3.003 N/A THR 337.A OG1 GLN 226.A OE1 no hydrogen 2.976 N/A ILE 338.A N TYR 243.A O no hydrogen 2.875 N/A GLY 339.A N TRP 381.A O no hydrogen 2.984 N/A THR 340.A OG1 MET 227.A O no hydrogen 2.709 N/A PHE 341.A N CYS 241.A O no hydrogen 3.107 N/A GLN 343.A N ASP 342.A OD1 no hydrogen 2.787 N/A SER 344.A N SER 239.A O no hydrogen 3.078 N/A TYR 346.A N PRO 237.A O no hydrogen 2.793 N/A HIS 349.A NE2 SER 621.A OG no hydrogen 2.728 N/A ARG 350.A N ILE 347.A O no hydrogen 3.040 N/A ARG 353.A NH1 GLN 343.A O no hydrogen 3.059 N/A ARG 353.A NH2 GLN 343.A O no hydrogen 2.645 N/A ARG 354.A NE GLY 352.A O no hydrogen 3.025 N/A MET 355.A N SER 344.A OG no hydrogen 3.182 N/A GLN 356.A N ASP 342.A OD2 no hydrogen 2.736 N/A ASP 361.A N HIS 359.A ND1 no hydrogen 3.065 N/A TYR 362.A OH ASP 302.A OD1 no hydrogen 2.634 N/A TYR 362.A OH THR 304.A OG1 no hydrogen 3.237 N/A ARG 363.A N HIS 359.A O no hydrogen 3.051 N/A ARG 363.A NE THR 357.A O no hydrogen 2.741 N/A ARG 363.A NH2 THR 357.A O no hydrogen 2.729 N/A ALA 364.A N PRO 360.A O no hydrogen 3.089 N/A LEU 365.A N ASP 361.A O no hydrogen 2.802 N/A ALA 368.A N ALA 364.A O no hydrogen 2.910 N/A ALA 374.A N THR 371.A OG1 no hydrogen 3.191 N/A LEU 375.A N THR 371.A O no hydrogen 3.162 N/A GLU 376.A N ALA 373.A O no hydrogen 2.895 N/A ALA 377.A N ALA 374.A O no hydrogen 3.312 N/A PHE 378.A N LEU 375.A O no hydrogen 2.731 N/A ALA 379.A N GLU 376.A O no hydrogen 2.999 N/A TRP 381.A N PHE 378.A O no hydrogen 2.706 N/A TRP 381.A NE1 ASP 361.A OD2 no hydrogen 3.131 N/A VAL 382.A N ALA 379.A O no hydrogen 3.128 N/A LYS 383.A N THR 337.A O no hydrogen 2.808 N/A LYS 383.A NZ GLY 339.A O no hydrogen 2.818 N/A SER 388.A OG GLU 386.A OE1 no hydrogen 3.291 N/A LEU 389.A N GLU 386.A O no hydrogen 2.940 N/A TYR 390.A N PRO 387.A O no hydrogen 3.051 N/A TYR 390.A OH TYR 217.A OH no hydrogen 2.632 N/A TYR 390.A OH GLU 392.A OE2 no hydrogen 2.675 N/A THR 391.A N ALA 220.A O no hydrogen 3.296 N/A GLU 393.A N THR 391.A OG1 no hydrogen 3.169 N/A ASN 394.A ND2 HIS 313.A ND1 no hydrogen 2.806 N/A GLY 397.A N ASN 394.A OD1 no hydrogen 2.969 N/A SER 398.A N ASN 394.A O no hydrogen 3.091 N/A SER 398.A OG ASN 394.A O no hydrogen 2.696 N/A ASN 399.A N PHE 396.A O no hydrogen 2.913 N/A ASN 399.A ND2 VAL 395.A O no hydrogen 3.104 N/A VAL 400.A N PHE 396.A O no hydrogen 2.897 N/A TRP 401.A N GLY 397.A O no hydrogen 3.085 N/A ARG 402.A NH1 GLU 436.A OE1 no hydrogen 2.811 N/A THR 403.A N LYS 213.A O no hydrogen 2.933 N/A THR 403.A OG1 LYS 213.A O no hydrogen 3.264 N/A GLU 406.A N ARG 211.A O no hydrogen 2.844 N/A ARG 408.A N LEU 209.A O no hydrogen 2.824 N/A ARG 408.A NE GLU 406.A OE1 no hydrogen 2.718 N/A ARG 408.A NH2 GLU 406.A OE1 no hydrogen 2.832 N/A ARG 412.A NH2 ARG 412.A O no hydrogen 2.777 N/A VAL 414.A N PRO 411.A O no hydrogen 3.059 N/A LEU 415.A N ARG 412.A O no hydrogen 2.969 N/A ASN 416.A N SER 413.A O no hydrogen 2.995 N/A ALA 417.A N VAL 414.A O no hydrogen 2.841 N/A ILE 418.A N LEU 415.A O no hydrogen 3.042 N/A LEU 419.A N ASN 416.A O no hydrogen 3.190 N/A VAL 421.A N LEU 419.A O no hydrogen 2.850 N/A GLU 423.A N GLU 423.A OE1 no hydrogen 2.809 N/A GLY 425.A N LEU 519.A O no hydrogen 2.772 N/A VAL 426.A N SER 413.A OG no hydrogen 3.030 N/A LEU 427.A N VAL 517.A O no hydrogen 3.074 N/A ASP 434.A N VAL 212.A O no hydrogen 2.667 N/A CYS 435.A N VAL 510.A O no hydrogen 2.980 N/A CYS 435.A SG PRO 428.A O no hydrogen 3.966 N/A GLU 436.A N SER 210.A O no hydrogen 2.850 N/A LEU 437.A N LEU 508.A O no hydrogen 2.759 N/A VAL 438.A N SER 208.A O no hydrogen 3.002 N/A ILE 439.A N LEU 506.A O no hydrogen 2.818 N/A ASP 440.A N SER 205.A O no hydrogen 2.842 N/A LEU 441.A N ARG 504.A O no hydrogen 2.951 N/A GLY 442.A N ASP 440.A OD1 no hydrogen 2.744 N/A GLU 444.A N THR 835.A OG1 no hydrogen 3.076 N/A ARG 445.A N PHE 503.A O no hydrogen 2.910 N/A ARG 445.A NH1 GLN 526.A OE1 no hydrogen 2.930 N/A GLY 447.A N ARG 501.A O no hydrogen 2.974 N/A PHE 448.A N ARG 525.A O no hydrogen 2.955 N/A GLY 450.A N TYR 523.A O no hydrogen 2.954 N/A PHE 451.A N TYR 495.A O no hydrogen 2.975 N/A GLU 452.A N GLU 521.A O no hydrogen 2.993 N/A LEU 453.A N GLN 493.A O no hydrogen 2.930 N/A GLU 454.A N LYS 518.A O no hydrogen 2.946 N/A ALA 455.A N GLY 491.A O no hydrogen 3.128 N/A ALA 457.A N GLU 490.A OE1 no hydrogen 2.848 N/A GLY 458.A N CYS 488.A O no hydrogen 2.744 N/A THR 459.A N PRO 456.A O no hydrogen 3.288 N/A THR 459.A OG1 PRO 456.A O no hydrogen 2.884 N/A ILE 460.A N ARG 511.A O no hydrogen 2.843 N/A ILE 461.A N TYR 486.A O no hydrogen 2.677 N/A ASP 462.A N THR 509.A O no hydrogen 2.878 N/A ALA 463.A N PHE 484.A O no hydrogen 3.025 N/A TYR 464.A N PHE 507.A O no hydrogen 3.022 N/A GLY 465.A N ASN 482.A O no hydrogen 3.104 N/A VAL 466.A N TYR 505.A O no hydrogen 2.868 N/A ARG 470.A N TYR 473.A O no hydrogen 2.757 N/A TYR 473.A N ARG 470.A O no hydrogen 2.895 N/A GLN 475.A N TYR 468.A O no hydrogen 2.916 N/A GLN 475.A NE2 THR 855.A O no hydrogen 2.881 N/A GLN 475.A NE2 ARG 856.A O no hydrogen 3.115 N/A THR 477.A N TYR 464.A OH no hydrogen 3.220 N/A THR 477.A OG1 LEU 480.A O no hydrogen 2.748 N/A TYR 478.A OH GLU 285.A OE1 no hydrogen 2.530 N/A LEU 480.A N THR 477.A O no hydrogen 2.709 N/A ASP 481.A N MET 142.A O no hydrogen 2.926 N/A ASN 482.A N LEU 480.A O no hydrogen 2.837 N/A ASN 482.A ND2 GLY 465.A O no hydrogen 2.906 N/A ASN 482.A ND2 GLY 502.A O no hydrogen 3.138 N/A PHE 484.A N ALA 463.A O no hydrogen 3.180 N/A ARG 485.A N GLU 150.A O no hydrogen 2.946 N/A ARG 485.A NE ASP 462.A OD2 no hydrogen 2.694 N/A ARG 485.A NH2 ASP 462.A OD1 no hydrogen 2.776 N/A ARG 485.A NH2 ASP 462.A OD2 no hydrogen 3.505 N/A TYR 486.A N ILE 461.A O no hydrogen 2.864 N/A ILE 487.A N ILE 152.A O no hydrogen 2.768 N/A CYS 488.A N THR 459.A O no hydrogen 2.766 N/A CYS 488.A SG THR 459.A O no hydrogen 3.477 N/A ARG 489.A NH2 LEU 157.A O no hydrogen 3.037 N/A GLY 491.A N ALA 455.A O no hydrogen 3.153 N/A ARG 492.A NH1 GLU 452.A OE1 no hydrogen 2.700 N/A ARG 492.A NH2 GLU 454.A OE1 no hydrogen 3.520 N/A GLN 493.A N LEU 453.A O no hydrogen 2.767 N/A GLN 493.A NE2 TYR 486.A OH no hydrogen 2.659 N/A TYR 495.A N PHE 451.A O no hydrogen 3.024 N/A TYR 495.A OH GLU 150.A OE1 no hydrogen 2.694 N/A SER 497.A N ILE 449.A O no hydrogen 2.875 N/A SER 497.A OG GLU 150.A OE1 no hydrogen 2.678 N/A SER 497.A OG GLU 150.A OE2 no hydrogen 3.482 N/A SER 497.A OG VAL 499.A O no hydrogen 3.538 N/A VAL 499.A N SER 497.A OG no hydrogen 3.254 N/A ARG 500.A NH1 SER 446.A OG no hydrogen 2.832 N/A ARG 500.A NH1 SER 527.A O no hydrogen 2.745 N/A ARG 500.A NH2 SER 527.A O no hydrogen 3.086 N/A ARG 500.A NH2 SER 527.A OG no hydrogen 3.141 N/A ARG 501.A N GLY 447.A O no hydrogen 2.991 N/A ARG 501.A NH1 SER 497.A OG no hydrogen 2.810 N/A ARG 501.A NH2 GLU 150.A OE2 no hydrogen 2.766 N/A ARG 501.A NH2 THR 483.A O no hydrogen 2.739 N/A PHE 503.A N ARG 445.A O no hydrogen 3.054 N/A ARG 504.A N VAL 466.A O no hydrogen 2.854 N/A ARG 504.A NE ASP 440.A OD1 no hydrogen 2.859 N/A ARG 504.A NH1 ASP 833.A OD2 no hydrogen 2.839 N/A ARG 504.A NH2 ASP 440.A OD2 no hydrogen 3.002 N/A ARG 504.A NH2 ASP 833.A OD2 no hydrogen 3.242 N/A TYR 505.A N VAL 466.A O no hydrogen 2.949 N/A LEU 506.A N ILE 439.A O no hydrogen 2.791 N/A PHE 507.A N TYR 464.A O no hydrogen 2.726 N/A LEU 508.A N LEU 437.A O no hydrogen 2.718 N/A THR 509.A N ASP 462.A O no hydrogen 2.869 N/A VAL 510.A N CYS 435.A O no hydrogen 2.826 N/A ARG 511.A N ILE 460.A O no hydrogen 2.933 N/A ARG 511.A NE ASP 462.A OD1 no hydrogen 2.710 N/A ARG 511.A NH1 ASP 434.A OD1 no hydrogen 2.734 N/A ARG 511.A NH2 ASP 462.A OD1 no hydrogen 2.788 N/A ASN 513.A ND2 ALA 515.A O no hydrogen 2.995 N/A LYS 518.A N GLU 454.A O no hydrogen 2.995 N/A LEU 519.A N GLY 425.A O no hydrogen 2.730 N/A HIS 520.A N GLU 452.A O no hydrogen 2.964 N/A GLU 521.A N GLU 452.A O no hydrogen 3.290 N/A ILE 522.A N ALA 417.A O no hydrogen 3.049 N/A TYR 523.A N GLY 450.A O no hydrogen 2.951 N/A ILE 524.A N LEU 201.A O no hydrogen 3.158 N/A ARG 525.A N PHE 448.A O no hydrogen 2.753 N/A ARG 525.A NE GLU 198.A OE1 no hydrogen 2.755 N/A GLN 526.A N GLU 199.A O no hydrogen 2.925 N/A SER 527.A N SER 446.A O no hydrogen 3.016 N/A SER 527.A OG THR 197.A O no hydrogen 2.973 N/A THR 528.A N THR 197.A OG1 no hydrogen 3.033 N/A THR 528.A OG1 TYR 529.A O no hydrogen 2.832 N/A TYR 529.A N MET 559.A O no hydrogen 2.731 N/A GLN 534.A N ALA 532.A O no hydrogen 2.707 N/A GLY 535.A N VAL 588.A O no hydrogen 3.101 N/A SER 536.A N VAL 902.A O no hydrogen 2.920 N/A ARG 538.A N GLU 900.A O no hydrogen 2.908 N/A ARG 538.A NH1 GLU 900.A OE1 no hydrogen 2.575 N/A CYS 539.A N ASN 545.A OD1 no hydrogen 2.725 N/A CYS 539.A SG ASP 541.A O no hydrogen 3.612 N/A CYS 539.A SG ASN 545.A OD1 no hydrogen 3.568 N/A SER 540.A N TRP 898.A O no hydrogen 3.056 N/A LEU 543.A N ASP 541.A OD1 no hydrogen 2.847 N/A LEU 544.A N ASP 541.A OD1 no hydrogen 3.220 N/A ASN 545.A N ASP 541.A O no hydrogen 3.104 N/A ASN 545.A ND2 CYS 539.A O no hydrogen 2.999 N/A ALA 546.A N ALA 542.A O no hydrogen 3.036 N/A THR 547.A N LEU 543.A O no hydrogen 2.969 N/A THR 547.A OG1 LEU 544.A O no hydrogen 2.687 N/A TRP 548.A N LEU 544.A O no hydrogen 2.979 N/A GLU 549.A N ASN 545.A O no hydrogen 2.991 N/A ILE 550.A N ALA 546.A O no hydrogen 3.037 N/A SER 551.A N THR 547.A O no hydrogen 3.068 N/A SER 551.A OG THR 547.A O no hydrogen 2.766 N/A ARG 552.A N TRP 548.A O no hydrogen 2.889 N/A ARG 552.A NH1 GLU 549.A OE2 no hydrogen 2.873 N/A HIS 553.A N GLU 549.A O no hydrogen 3.063 N/A HIS 553.A NE2 GLU 444.A O no hydrogen 2.756 N/A THR 554.A N ILE 550.A O no hydrogen 2.895 N/A THR 554.A OG1 ILE 550.A O no hydrogen 2.627 N/A THR 555.A N SER 551.A O no hydrogen 3.150 N/A THR 555.A OG1 SER 551.A O no hydrogen 2.845 N/A ARG 556.A N ARG 552.A O no hydrogen 3.050 N/A ARG 556.A NE.B HIS 553.A ND1 no hydrogen 3.498 N/A ARG 556.A NH1.B GLU 533.A OE1 no hydrogen 2.695 N/A ARG 556.A NH2.B HIS 553.A ND1 no hydrogen 2.969 N/A LEU 557.A N HIS 553.A O no hydrogen 3.076 N/A CYS 558.A N THR 554.A O no hydrogen 3.092 N/A CYS 558.A N THR 555.A O no hydrogen 3.153 N/A CYS 558.A SG THR 554.A O no hydrogen 3.390 N/A CYS 558.A SG ASP 565.A O no hydrogen 3.570 N/A CYS 558.A SG CYS 859.A O no hydrogen 3.916 N/A MET 559.A N ARG 556.A O no hydrogen 3.158 N/A GLU 560.A N THR 562.A O no hydrogen 2.853 N/A THR 562.A OG1 PHE 563.A O no hydrogen 3.007 N/A VAL 564.A N CYS 558.A O no hydrogen 2.856 N/A ASP 565.A N VAL 572.A O no hydrogen 2.840 N/A CYS 566.A SG ASP 565.A OD2 no hydrogen 3.558 N/A CYS 566.A SG HIS 860.A NE2 no hydrogen 3.792 N/A SER 568.A OG GLU 467.A OE2 no hydrogen 3.063 N/A GLN 571.A N CYS 566.A O no hydrogen 2.858 N/A GLN 571.A NE2 ARG 500.A O no hydrogen 3.230 N/A GLN 571.A NE2 PRO 567.A O no hydrogen 2.839 N/A VAL 572.A N ASP 565.A OD1 no hydrogen 3.060 N/A TRP 574.A NE1 GLU 570.A OE2 no hydrogen 2.912 N/A VAL 575.A N ASP 614.A O no hydrogen 2.920 N/A SER 578.A N TRP 574.A O no hydrogen 3.279 N/A SER 578.A OG VAL 575.A O no hydrogen 2.596 N/A ARG 579.A N GLY 576.A O no hydrogen 3.354 N/A ARG 579.A NE GLU 637.A OE1 no hydrogen 3.388 N/A ARG 579.A NE GLU 637.A OE2 no hydrogen 3.148 N/A ARG 579.A NH1 GLU 637.A OE1 no hydrogen 2.732 N/A ARG 579.A NH1 GLU 807.A OE1 no hydrogen 3.505 N/A ARG 579.A NH1 GLU 807.A OE2 no hydrogen 2.764 N/A ARG 579.A NH2 ASN 580.A OD1 no hydrogen 3.136 N/A ARG 579.A NH2 GLU 807.A OE1 no hydrogen 2.980 N/A ASN 580.A ND2 TRP 862.A O no hydrogen 3.576 N/A GLU 581.A N ASP 577.A O no hydrogen 3.086 N/A ALA 582.A N SER 578.A O no hydrogen 2.832 N/A LEU 583.A N ARG 579.A O no hydrogen 3.411 N/A VAL 584.A N ASN 580.A O no hydrogen 3.058 N/A ASN 585.A N GLU 581.A O no hydrogen 2.967 N/A ASN 585.A ND2 ALA 582.A O no hydrogen 3.477 N/A ASN 585.A ND2 GLU 591.A O no hydrogen 2.747 N/A TYR 586.A N ALA 582.A O no hydrogen 2.923 N/A TYR 587.A N LEU 583.A O no hydrogen 3.387 N/A TYR 587.A N VAL 584.A O no hydrogen 3.029 N/A TYR 587.A OH VAL 877.A O no hydrogen 2.626 N/A VAL 588.A N VAL 584.A O no hydrogen 2.920 N/A PHE 589.A N ASN 585.A O no hydrogen 2.803 N/A GLY 590.A N ASN 585.A O no hydrogen 2.706 N/A GLU 591.A N ASN 585.A OD1 no hydrogen 3.262 N/A GLU 596.A N THR 592.A O no hydrogen 3.115 N/A ARG 597.A N GLU 593.A O no hydrogen 2.963 N/A ARG 597.A NE ASP 561.A O no hydrogen 2.783 N/A ARG 597.A NH1 ASP 192.A OD2 no hydrogen 2.930 N/A ARG 597.A NH2 ARG 63.A O no hydrogen 2.858 N/A ARG 597.A NH2 ASP 561.A OD1 no hydrogen 3.085 N/A CYS 598.A N ILE 594.A O no hydrogen 3.076 N/A CYS 598.A SG ILE 594.A O no hydrogen 3.280 N/A LEU 599.A N VAL 595.A O no hydrogen 2.966 N/A ASN 600.A N GLU 596.A O no hydrogen 2.852 N/A LEU 601.A N ARG 597.A O no hydrogen 3.201 N/A LEU 601.A N CYS 598.A O no hydrogen 3.162 N/A GLY 604.A N LEU 601.A O no hydrogen 3.131 N/A SER 605.A N VAL 602.A O no hydrogen 3.046 N/A SER 605.A OG VAL 602.A O no hydrogen 2.890 N/A ALA 606.A N PRO 603.A O no hydrogen 3.023 N/A GLU 608.A N SER 605.A O no hydrogen 2.967 N/A THR 609.A N SER 605.A O no hydrogen 3.061 N/A LEU 611.A N THR 609.A OG1 no hydrogen 3.070 N/A TYR 612.A N THR 609.A O no hydrogen 2.919 N/A TYR 612.A OH ALA 654.A O no hydrogen 2.823 N/A LEU 613.A N SER 605.A OG no hydrogen 3.052 N/A ASP 614.A N SER 622.A O no hydrogen 2.952 N/A GLN 615.A NE2 ASP 614.A OD2 no hydrogen 3.021 N/A GLN 615.A NE2 TRP 620.A O no hydrogen 2.917 N/A VAL 616.A N PHE 573.A O no hydrogen 3.211 N/A SER 618.A OG GLN 615.A OE1 no hydrogen 2.656 N/A ALA 619.A N ASN 99.A O no hydrogen 3.162 N/A TRP 620.A N SER 618.A OG no hydrogen 2.881 N/A SER 621.A N ASN 236.A OD1 no hydrogen 2.690 N/A SER 621.A OG HIS 349.A NE2 no hydrogen 2.728 N/A SER 621.A OG GLU 608.A OE2 no hydrogen 2.538 N/A SER 622.A OG ASP 348.A OD1 no hydrogen 2.492 N/A SER 622.A OG ASP 614.A OD1 no hydrogen 2.575 N/A SER 622.A OG ASP 614.A OD2 no hydrogen 3.479 N/A VAL 623.A N ASP 348.A OD2 no hydrogen 3.078 N/A THR 628.A N ILE 624.A O no hydrogen 3.269 N/A THR 628.A OG1 LEU 611.A O no hydrogen 2.678 N/A THR 628.A OG1 TYR 662.A OH no hydrogen 3.274 N/A PHE 629.A N PRO 625.A O no hydrogen 2.941 N/A PHE 630.A N ASN 626.A O no hydrogen 2.741 N/A TRP 631.A N TRP 627.A O no hydrogen 2.957 N/A TRP 631.A NE1 LEU 599.A O no hydrogen 3.064 N/A ILE 632.A N THR 628.A O no hydrogen 3.111 N/A LEU 633.A N PHE 629.A O no hydrogen 3.063 N/A ALA 634.A N PHE 630.A O no hydrogen 2.766 N/A CYS 635.A N TRP 631.A O no hydrogen 2.884 N/A CYS 635.A SG TRP 631.A O no hydrogen 3.304 N/A ARG 636.A N ILE 632.A O no hydrogen 2.987 N/A GLU 637.A N LEU 633.A O no hydrogen 2.819 N/A TYR 638.A N ALA 634.A O no hydrogen 2.788 N/A TYR 638.A OH GLU 596.A OE2 no hydrogen 2.747 N/A ALA 639.A N CYS 635.A O no hydrogen 2.914 N/A ALA 640.A N ARG 636.A O no hydrogen 2.902 N/A HIS 641.A N GLU 637.A O no hydrogen 2.890 N/A THR 642.A N TYR 638.A O no hydrogen 3.020 N/A THR 642.A OG1 TYR 638.A O no hydrogen 2.946 N/A GLY 643.A N ALA 639.A O no hydrogen 2.739 N/A ASN 644.A N THR 642.A OG1 no hydrogen 3.069 N/A GLU 645.A N GLY 643.A O no hydrogen 3.125 N/A ALA 648.A N ASN 644.A O no hydrogen 3.322 N/A ALA 649.A N GLU 645.A O no hydrogen 3.010 N/A ARG 650.A N ALA 646.A O no hydrogen 3.045 N/A ARG 650.A NH1 GLU 596.A OE1 no hydrogen 2.712 N/A ILE 651.A N PHE 647.A O no hydrogen 2.839 N/A TRP 652.A N ALA 648.A O no hydrogen 2.864 N/A TRP 652.A NE1 GLU 719.A OE1 no hydrogen 3.058 N/A VAL 655.A N ILE 651.A O no hydrogen 3.131 N/A LYS 656.A N TRP 652.A O no hydrogen 2.809 N/A LYS 656.A NZ GLU 719.A O no hydrogen 3.172 N/A HIS 657.A N PRO 653.A O no hydrogen 2.829 N/A THR 658.A N ALA 654.A O no hydrogen 3.265 N/A THR 658.A OG1 PRO 610.A O no hydrogen 2.717 N/A LEU 659.A N VAL 655.A O no hydrogen 3.180 N/A THR 660.A N LYS 656.A O no hydrogen 2.934 N/A THR 660.A OG1 LYS 656.A O no hydrogen 2.852 N/A HIS 661.A N HIS 657.A O no hydrogen 3.384 N/A HIS 661.A ND1 HIS 657.A O no hydrogen 2.881 N/A TYR 662.A N THR 658.A O no hydrogen 3.008 N/A TYR 662.A OH LEU 611.A O no hydrogen 2.763 N/A TYR 662.A OH THR 628.A OG1 no hydrogen 3.274 N/A LEU 663.A N LEU 659.A O no hydrogen 3.071 N/A GLU 664.A N HIS 661.A O no hydrogen 3.295 N/A HIS 665.A N TYR 662.A O no hydrogen 3.020 N/A ILE 666.A N LEU 663.A O no hydrogen 3.047 N/A ASP 667.A N LEU 671.A O no hydrogen 3.325 N/A SER 669.A N ASP 667.A OD1 no hydrogen 3.099 N/A SER 669.A OG ASP 667.A OD1 no hydrogen 2.703 N/A GLY 670.A N ASP 667.A O no hydrogen 2.597 N/A LEU 671.A N SER 669.A OG no hydrogen 3.258 N/A LEU 672.A N ASN 697.A OD1 no hydrogen 2.694 N/A ASN 673.A N HIS 665.A O no hydrogen 3.000 N/A MET 674.A N GLY 691.A O no hydrogen 3.337 N/A GLY 676.A N ASN 689.A O no hydrogen 3.132 N/A ASN 678.A ND2 GLN 696.A OE1 no hydrogen 3.404 N/A TRP 682.A N ASP 681.A OD2 no hydrogen 2.682 N/A ILE 685.A N ALA 683.A O no hydrogen 2.541 N/A ASP 686.A N ASP 748.A OD2 no hydrogen 2.809 N/A GLN 687.A N ILE 685.A O no hydrogen 2.823 N/A GLN 687.A NE2 ASP 681.A O no hydrogen 3.123 N/A GLN 687.A NE2 ALA 683.A O no hydrogen 3.662 N/A ILE 692.A N ILE 750.A O no hydrogen 3.125 N/A THR 694.A N ASP 748.A O no hydrogen 2.935 N/A THR 694.A OG1 ILE 747.A O no hydrogen 2.451 N/A THR 694.A OG1 ASP 748.A O no hydrogen 3.124 N/A HIS 695.A NE2 GLN 687.A OE1 no hydrogen 3.139 N/A ASN 697.A N VAL 693.A O no hydrogen 3.349 N/A ASN 697.A N THR 694.A O no hydrogen 2.891 N/A ASN 697.A ND2 LEU 672.A O no hydrogen 3.270 N/A ASN 697.A ND2 VAL 693.A O no hydrogen 2.868 N/A LEU 698.A N THR 694.A O no hydrogen 2.973 N/A PHE 699.A N HIS 695.A O no hydrogen 3.056 N/A LEU 700.A N GLN 696.A O no hydrogen 3.055 N/A VAL 701.A N ASN 697.A O no hydrogen 3.359 N/A LYS 702.A N LEU 698.A O no hydrogen 3.320 N/A ALA 703.A N PHE 699.A O no hydrogen 2.810 N/A LEU 704.A N LEU 700.A O no hydrogen 2.864 N/A ARG 705.A N VAL 701.A O no hydrogen 3.112 N/A ASP 706.A N LYS 702.A O no hydrogen 2.678 N/A SER 707.A N ALA 703.A O no hydrogen 2.982 N/A SER 707.A OG LEU 704.A O no hydrogen 2.449 N/A ARG 708.A N ARG 705.A O no hydrogen 2.998 N/A ALA 709.A N ASP 706.A O no hydrogen 3.178 N/A ALA 711.A N SER 707.A O no hydrogen 3.004 N/A ALA 712.A N ARG 708.A O no hydrogen 2.696 N/A ALA 713.A N ALA 709.A O no hydrogen 2.840 N/A ALA 714.A N LEU 710.A O no hydrogen 2.777 N/A GLY 715.A N ALA 712.A O no hydrogen 2.838 N/A ALA 716.A N ALA 711.A O no hydrogen 2.841 N/A GLU 719.A N ALA 716.A O no hydrogen 2.942 N/A ALA 720.A N THR 717.A O no hydrogen 3.086 N/A ASP 721.A N GLU 718.A O no hydrogen 3.060 N/A ALA 724.A N ALA 720.A O no hydrogen 3.075 N/A ALA 725.A N ASP 721.A O no hydrogen 3.035 N/A ARG 726.A N ALA 722.A O no hydrogen 3.135 N/A ALA 727.A N PHE 723.A O no hydrogen 2.953 N/A ASP 728.A N ALA 724.A O no hydrogen 3.266 N/A LEU 729.A N ALA 725.A O no hydrogen 3.094 N/A LEU 730.A N ARG 726.A O no hydrogen 2.793 N/A ALA 731.A N ALA 727.A O no hydrogen 2.782 N/A GLU 732.A N ASP 728.A O no hydrogen 2.917 N/A THR 733.A N LEU 729.A O no hydrogen 2.998 N/A THR 733.A OG1 LEU 729.A O no hydrogen 2.819 N/A ILE 734.A N LEU 730.A O no hydrogen 2.837 N/A ASN 735.A N ALA 731.A O no hydrogen 3.028 N/A ASN 735.A ND2 ALA 731.A O no hydrogen 3.085 N/A ASN 735.A ND2 VAL 773.A O no hydrogen 3.019 N/A ALA 736.A N GLU 732.A O no hydrogen 2.817 N/A VAL 737.A N THR 733.A O no hydrogen 2.766 N/A LEU 738.A N ILE 734.A O no hydrogen 2.871 N/A ASP 740.A N ALA 745.A O no hydrogen 3.084 N/A LYS 743.A N ASP 740.A OD2 no hydrogen 2.785 N/A ALA 745.A N ASP 740.A O no hydrogen 3.432 N/A TYR 746.A N GLN 765.A OE1 no hydrogen 3.040 N/A TYR 746.A OH ASN 735.A OD1 no hydrogen 2.741 N/A ILE 747.A N LEU 738.A O no hydrogen 2.924 N/A ASP 748.A N VAL 759.A O no hydrogen 3.311 N/A CYS 749.A SG ASP 686.A O no hydrogen 3.133 N/A CYS 749.A SG ASP 686.A OD2 no hydrogen 3.336 N/A ILE 750.A N ILE 692.A O no hydrogen 2.817 N/A HIS 751.A N ARG 755.A O no hydrogen 2.815 N/A HIS 751.A ND1 GLU 690.A OE2 no hydrogen 2.703 N/A HIS 751.A NE2 ASP 686.A OD2 no hydrogen 2.770 N/A ALA 752.A N GLU 690.A OE2 no hydrogen 2.937 N/A GLY 754.A N HIS 751.A O no hydrogen 2.876 N/A ARG 755.A N ASP 753.A OD2 no hydrogen 3.003 N/A ARG 756.A NH1 VAL 737.A O no hydrogen 3.124 N/A ARG 756.A NH2 VAL 737.A O no hydrogen 2.959 N/A SER 757.A N CYS 749.A O no hydrogen 2.824 N/A SER 757.A OG ASP 686.A OD2 no hydrogen 2.663 N/A VAL 759.A N SER 757.A OG no hydrogen 2.970 N/A SER 761.A OG ASP 748.A OD1 no hydrogen 2.735 N/A MET 762.A N VAL 794.A O no hydrogen 2.938 N/A GLN 763.A NE2 VAL 794.A O no hydrogen 3.466 N/A THR 764.A N SER 761.A OG no hydrogen 3.390 N/A THR 764.A OG1 ASP 748.A OD1 no hydrogen 2.772 N/A THR 764.A OG1 SER 761.A OG no hydrogen 3.262 N/A GLN 765.A NE2 TYR 746.A O no hydrogen 2.865 N/A GLN 765.A NE2 SER 761.A O no hydrogen 3.298 N/A VAL 766.A N MET 762.A O no hydrogen 2.845 N/A VAL 767.A N GLN 763.A O no hydrogen 2.970 N/A ALA 768.A N THR 764.A O no hydrogen 3.019 N/A TYR 769.A N GLN 765.A O no hydrogen 3.013 N/A TYR 769.A OH GLU 783.A OE1 no hydrogen 2.767 N/A LEU 770.A N VAL 766.A O no hydrogen 2.964 N/A CYS 771.A N VAL 767.A O no hydrogen 2.920 N/A CYS 771.A SG LEU 698.A O no hydrogen 3.292 N/A CYS 771.A SG VAL 767.A O no hydrogen 3.247 N/A GLY 772.A N TYR 769.A O no hydrogen 3.325 N/A VAL 773.A N ALA 768.A O no hydrogen 3.197 N/A ALA 774.A N ALA 768.A O no hydrogen 3.385 N/A ARG 778.A NH1 ASN 735.A O no hydrogen 2.780 N/A ARG 778.A NH1 ASN 735.A OD1 no hydrogen 2.902 N/A ARG 778.A NH2 ASN 735.A O no hydrogen 3.267 N/A GLU 779.A N GLN 775.A O no hydrogen 3.349 N/A GLU 779.A N GLY 776.A O no hydrogen 2.766 N/A ALA 780.A N GLY 776.A O no hydrogen 3.080 N/A VAL 781.A N GLU 777.A O no hydrogen 2.968 N/A ILE 782.A N ARG 778.A O no hydrogen 3.000 N/A GLU 783.A N GLU 779.A O no hydrogen 2.937 N/A GLY 784.A N ALA 780.A O no hydrogen 3.159 N/A GLY 784.A N VAL 781.A O no hydrogen 3.035 N/A TYR 785.A N VAL 781.A O no hydrogen 3.286 N/A TYR 785.A OH LYS 743.A O no hydrogen 3.074 N/A TYR 785.A OH ARG 744.A O no hydrogen 2.635 N/A LEU 786.A N ILE 782.A O no hydrogen 2.948 N/A SER 787.A N GLU 783.A O no hydrogen 3.165 N/A SER 787.A OG GLU 783.A O no hydrogen 3.346 N/A SER 787.A OG GLY 784.A O no hydrogen 3.004 N/A SER 788.A N GLY 784.A O no hydrogen 2.845 N/A PHE 793.A N PRO 790.A O no hydrogen 2.800 N/A VAL 794.A N TYR 760.A O no hydrogen 2.744 N/A GLN 795.A NE2 PRO 790.A O no hydrogen 3.103 N/A GLN 795.A NE2 PHE 793.A O no hydrogen 2.804 N/A GLY 797.A N ASP 681.A OD1 no hydrogen 2.893 N/A SER 798.A OG ASP 681.A OD2 no hydrogen 2.705 N/A MET 801.A N SER 798.A OG no hydrogen 3.329 N/A SER 802.A N SER 798.A O no hydrogen 3.067 N/A SER 802.A OG SER 798.A O no hydrogen 3.530 N/A SER 802.A OG TYR 841.A OH no hydrogen 2.680 N/A PHE 803.A N PRO 799.A O no hydrogen 3.050 N/A PHE 803.A N PHE 800.A O no hydrogen 3.182 N/A TYR 805.A N MET 801.A O no hydrogen 3.055 N/A TYR 805.A OH LEU 786.A O no hydrogen 2.676 N/A TYR 806.A N SER 802.A O no hydrogen 2.811 N/A TYR 806.A OH ASP 821.A OD2 no hydrogen 2.632 N/A GLU 807.A N PHE 803.A O no hydrogen 3.070 N/A ALA 808.A N PHE 804.A O no hydrogen 3.074 N/A LEU 809.A N TYR 805.A O no hydrogen 2.911 N/A GLU 810.A N TYR 806.A O no hydrogen 2.872 N/A LYS 811.A N GLU 807.A O no hydrogen 3.066 N/A ALA 812.A N ALA 808.A O no hydrogen 2.869 N/A GLY 813.A N GLU 810.A O no hydrogen 2.993 N/A ARG 814.A N LEU 809.A O no hydrogen 2.700 N/A GLN 815.A N GLN 815.A OE1 no hydrogen 2.877 N/A GLN 815.A NE2 GLU 810.A OE2 no hydrogen 2.957 N/A MET 818.A N ARG 814.A O no hydrogen 3.158 N/A LEU 819.A N GLN 815.A O no hydrogen 2.911 N/A ASP 820.A N THR 816.A O no hydrogen 2.974 N/A ASP 821.A N LEU 817.A O no hydrogen 2.967 N/A ILE 822.A N MET 818.A O no hydrogen 2.946 N/A ARG 823.A N LEU 819.A O no hydrogen 2.859 N/A ARG 823.A NE ASP 541.A OD2 no hydrogen 2.805 N/A ARG 823.A NH1 ASP 820.A OD1 no hydrogen 2.926 N/A ARG 823.A NH1 ASP 895.A OD1 no hydrogen 3.115 N/A ARG 823.A NH1 ASP 895.A OD2 no hydrogen 3.494 N/A ARG 823.A NH2 ASP 541.A OD2 no hydrogen 2.912 N/A ARG 823.A NH2 ASP 895.A OD2 no hydrogen 2.828 N/A ARG 824.A N ASP 820.A O no hydrogen 3.034 N/A ASN 825.A N ASP 821.A O no hydrogen 2.830 N/A ASN 825.A ND2 ASP 821.A O no hydrogen 3.426 N/A ASN 825.A ND2 ASP 821.A OD2 no hydrogen 2.823 N/A TYR 826.A N ILE 822.A O no hydrogen 2.810 N/A TYR 826.A OH SER 863.A O no hydrogen 2.737 N/A GLN 828.A N ARG 824.A O no hydrogen 3.162 N/A GLN 828.A NE2 ASN 825.A O no hydrogen 3.229 N/A MET 829.A N TYR 826.A O no hydrogen 3.003 N/A LEU 830.A N TYR 826.A O no hydrogen 3.115 N/A ARG 831.A N GLY 827.A O no hydrogen 2.924 N/A ARG 831.A NH1 ARG 831.A O no hydrogen 2.960 N/A TYR 832.A N MET 829.A O no hydrogen 3.082 N/A ASP 833.A N LEU 830.A O no hydrogen 2.907 N/A ALA 834.A N MET 829.A O no hydrogen 3.128 N/A THR 836.A OG1 HIS 858.A O no hydrogen 2.606 N/A CYS 837.A N THR 554.A OG1 no hydrogen 2.659 N/A CYS 837.A SG SER 551.A OG no hydrogen 3.620 N/A CYS 837.A SG THR 554.A OG1 no hydrogen 3.619 N/A CYS 837.A SG SER 863.A O no hydrogen 3.800 N/A GLU 839.A N SER 857.A O no hydrogen 2.932 N/A MET 840.A N THR 855.A OG1 no hydrogen 3.036 N/A TYR 841.A N GLY 797.A O no hydrogen 3.032 N/A TYR 841.A OH SER 802.A OG no hydrogen 2.680 N/A GLU 846.A N GLU 846.A OE2 no hydrogen 2.849 N/A ARG 848.A NE GLU 846.A O no hydrogen 3.021 N/A ARG 848.A NH1 TYR 841.A O no hydrogen 3.181 N/A ARG 848.A NH1 MET 853.A O no hydrogen 3.065 N/A ARG 848.A NH2 TYR 841.A O no hydrogen 3.003 N/A ASN 850.A ND2 GLN 283.A O no hydrogen 2.862 N/A ASP 852.A N ASN 850.A OD1 no hydrogen 2.691 N/A MET 853.A N ASN 850.A O no hydrogen 2.940 N/A THR 855.A OG1 MET 840.A O no hydrogen 3.545 N/A THR 855.A OG1 SER 857.A O no hydrogen 2.983 N/A ARG 856.A NE GLU 839.A OE2 no hydrogen 2.925 N/A ARG 856.A NH1 GLU 570.A OE1 no hydrogen 3.007 N/A ARG 856.A NH2 GLU 570.A OE1 no hydrogen 3.115 N/A ARG 856.A NH2 GLU 839.A OE1 no hydrogen 2.906 N/A ARG 856.A NH2 GLU 839.A OE2 no hydrogen 3.542 N/A SER 857.A N GLU 839.A OE2 no hydrogen 2.943 N/A HIS 858.A N GLU 467.A OE1 no hydrogen 2.847 N/A HIS 858.A NE2 GLN 475.A OE1 no hydrogen 2.698 N/A CYS 859.A N SER 857.A OG no hydrogen 3.216 N/A HIS 860.A N CYS 837.A O no hydrogen 2.874 N/A TRP 862.A NE1 GLU 839.A O no hydrogen 3.228 N/A SER 863.A N HIS 860.A O no hydrogen 2.864 N/A SER 863.A OG TRP 838.A O no hydrogen 2.641 N/A ALA 864.A N ALA 861.A O no hydrogen 3.078 N/A GLY 867.A N ALA 864.A O no hydrogen 2.870 N/A TYR 868.A N ALA 865.A O no hydrogen 2.797 N/A PHE 869.A N ALA 865.A O no hydrogen 3.004 N/A LEU 870.A N PRO 866.A O no hydrogen 3.128 N/A SER 872.A N TYR 868.A O no hydrogen 3.039 N/A SER 872.A OG.B TYR 868.A O no hydrogen 2.797 N/A SER 873.A N PHE 869.A O no hydrogen 2.729 N/A SER 873.A OG GLU 810.A OE2 no hydrogen 2.618 N/A ILE 874.A N PHE 869.A O no hydrogen 3.298 N/A LEU 875.A N LEU 870.A O no hydrogen 2.791 N/A VAL 877.A N GLY 871.A O no hydrogen 3.094 N/A LYS 878.A N ASP 888.A O no hydrogen 3.036 N/A LYS 878.A NZ GLU 810.A OE1 no hydrogen 2.602 N/A GLY 880.A N THR 886.A O no hydrogen 2.841 N/A GLY 883.A N ALA 640.A O no hydrogen 2.802 N/A TRP 884.A N ALA 881.A O no hydrogen 2.966 N/A TRP 884.A NE1 HIS 641.A ND1 no hydrogen 2.949 N/A ARG 885.A N ASP 882.A O no hydrogen 3.461 N/A ARG 885.A NH2 ASP 882.A O no hydrogen 2.785 N/A THR 886.A OG1.B GLU 934.A O no hydrogen 2.977 N/A VAL 887.A N GLU 934.A O no hydrogen 2.732 N/A ASP 888.A N LYS 878.A O no hydrogen 2.922 N/A ILE 889.A N ASN 936.A O no hydrogen 2.758 N/A ALA 890.A N GLY 876.A O no hydrogen 2.889 N/A GLN 892.A N ILE 874.A O no hydrogen 3.096 N/A CYS 894.A SG THR 816.A OG1 no hydrogen 3.513 N/A CYS 894.A SG GLN 892.A O no hydrogen 3.385 N/A LEU 896.A N PRO 893.A O no hydrogen 2.793 N/A THR 897.A N SER 540.A OG no hydrogen 2.999 N/A ALA 899.A N TRP 915.A O no hydrogen 2.980 N/A GLU 900.A N ARG 538.A O no hydrogen 2.862 N/A GLY 901.A N VAL 913.A O no hydrogen 2.884 N/A VAL 902.A N SER 536.A O no hydrogen 3.022 N/A VAL 903.A N ILE 911.A O no hydrogen 2.852 N/A LEU 905.A N GLY 909.A O no hydrogen 2.998 N/A GLN 907.A N GLN 907.A OE1 no hydrogen 2.681 N/A GLN 907.A NE2 GLY 883.A O no hydrogen 3.187 N/A GLN 907.A NE2 TRP 884.A O no hydrogen 3.685 N/A GLY 908.A N LEU 905.A O no hydrogen 2.925 N/A HIS 910.A N TYR 952.A OH no hydrogen 2.906 N/A ILE 911.A N VAL 903.A O no hydrogen 2.817 N/A ALA 912.A N GLU 928.A O no hydrogen 2.868 N/A VAL 913.A N GLY 901.A O no hydrogen 2.992 N/A SER 914.A N ARG 926.A O no hydrogen 2.998 N/A TRP 915.A N ALA 899.A O no hydrogen 2.897 N/A TRP 915.A NE1 LEU 875.A O no hydrogen 2.986 N/A GLU 916.A N LYS 924.A O no hydrogen 3.076 N/A PHE 917.A N THR 897.A O no hydrogen 2.926 N/A VAL 918.A N LYS 922.A O no hydrogen 2.946 N/A LYS 922.A N SER 919.A O no hydrogen 3.007 N/A LEU 923.A N GLU 944.A O no hydrogen 2.861 N/A LYS 924.A N GLU 916.A O no hydrogen 2.948 N/A LEU 925.A N GLU 946.A O no hydrogen 2.814 N/A ARG 926.A N SER 914.A O no hydrogen 2.820 N/A ARG 926.A NH1.B GLU 928.A OE2 no hydrogen 3.008 N/A ARG 926.A NH2.B GLU 928.A OE2 no hydrogen 2.825 N/A ILE 927.A N THR 948.A O no hydrogen 2.849 N/A GLU 928.A N ALA 912.A O no hydrogen 2.837 N/A ALA 929.A N VAL 950.A O no hydrogen 3.046 N/A GLU 931.A N TYR 952.A O no hydrogen 2.770 N/A ILE 933.A N PRO 930.A O no hydrogen 3.109 N/A GLU 934.A N ARG 885.A O no hydrogen 3.175 N/A ASN 936.A N VAL 887.A O no hydrogen 2.892 N/A ASN 936.A ND2 ASP 888.A OD2 no hydrogen 2.881 N/A THR 938.A N ILE 889.A O no hydrogen 2.879 N/A ILE 943.A N PRO 940.A O no hydrogen 2.929 N/A GLU 944.A N GLY 921.A O no hydrogen 3.007 N/A GLU 946.A N LEU 923.A O no hydrogen 2.922 N/A THR 948.A N LEU 925.A O no hydrogen 2.718 N/A VAL 950.A N ILE 927.A O no hydrogen 2.718 N/A LYS 951.A NZ GLU 931.A O no hydrogen 2.725 N/A LYS 951.A NZ ILE 933.A O no hydrogen 2.949 N/A TYR 952.A N ALA 929.A O no hydrogen 3.104 N/A TYR 952.A OH HIS 910.A O no hydrogen 3.369 N/A