Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3o8n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ALA 1.A O no hydrogen 3.040 N/A ILE 10.A N ARG 39.A O no hydrogen 2.372 N/A ALA 11.A N ASN 104.A O no hydrogen 2.933 N/A VAL 12.A N PHE 41.A O no hydrogen 2.985 N/A THR 14.A OG1 THR 74.A OG1 no hydrogen 3.292 N/A THR 14.A OG1 SER 78.A OG no hydrogen 2.937 N/A GLN 20.A N GLN 20.A OE1 no hydrogen 2.738 N/A GLN 20.A NE2 GLN 292.A O no hydrogen 3.078 N/A GLN 20.A NE2 GLY 294.A O no hydrogen 3.004 N/A MET 22.A N ALA 19.A O no hydrogen 2.984 N/A ASN 23.A ND2 LEU 71.A O no hydrogen 3.032 N/A ALA 25.A N GLY 21.A O no hydrogen 2.946 N/A VAL 26.A N MET 22.A O no hydrogen 2.757 N/A ARG 27.A N ASN 23.A O no hydrogen 2.796 N/A ALA 28.A N ALA 24.A O no hydrogen 3.141 N/A VAL 29.A N ALA 25.A O no hydrogen 2.978 N/A VAL 30.A N VAL 26.A O no hydrogen 2.766 N/A ARG 31.A N ARG 27.A O no hydrogen 2.856 N/A ARG 31.A NE TRP 62.A O no hydrogen 3.490 N/A ARG 31.A NH1 LEU 744.A O no hydrogen 3.482 N/A ARG 31.A NH2 TRP 62.A O no hydrogen 3.147 N/A VAL 32.A N ALA 28.A O no hydrogen 2.821 N/A GLY 33.A N VAL 29.A O no hydrogen 2.902 N/A ILE 34.A N VAL 30.A O no hydrogen 2.771 N/A PHE 35.A N ARG 31.A O no hydrogen 2.699 N/A THR 36.A N VAL 32.A O no hydrogen 2.978 N/A GLY 37.A N ILE 34.A O no hydrogen 2.983 N/A ALA 38.A N GLY 33.A O no hydrogen 3.132 N/A ARG 39.A N LYS 8.A O no hydrogen 2.891 N/A PHE 41.A N ILE 10.A O no hydrogen 2.510 N/A PHE 42.A N ARG 58.A O no hydrogen 3.055 N/A HIS 44.A N HIS 56.A O no hydrogen 2.982 N/A GLU 45.A N ILE 76.A O no hydrogen 3.132 N/A GLY 46.A N GLY 77.A O no hydrogen 3.206 N/A TYR 47.A OH SER 113.A O no hydrogen 2.512 N/A GLY 49.A N GLU 45.A O no hydrogen 3.221 N/A VAL 51.A N TYR 47.A O no hydrogen 3.132 N/A VAL 51.A N GLN 48.A O no hydrogen 2.331 N/A ASP 52.A N GLN 48.A O no hydrogen 2.991 N/A HIS 56.A N GLY 53.A O no hydrogen 2.519 N/A ILE 57.A N GLY 54.A O no hydrogen 2.906 N/A ALA 60.A N VAL 40.A O no hydrogen 2.844 N/A THR 61.A N SER 64.A OG no hydrogen 3.269 N/A THR 61.A OG1 GLU 63.A OE1 no hydrogen 3.432 N/A THR 61.A OG1 GLU 63.A OE2 no hydrogen 3.160 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.211 N/A SER 64.A N THR 61.A O no hydrogen 2.819 N/A SER 64.A OG THR 61.A O no hydrogen 2.294 N/A VAL 65.A N TRP 62.A O no hydrogen 3.235 N/A SER 66.A N GLU 63.A O no hydrogen 3.158 N/A SER 66.A OG GLU 63.A O no hydrogen 3.384 N/A GLN 70.A N GLN 70.A OE1 no hydrogen 2.247 N/A LEU 71.A N MET 68.A O no hydrogen 2.760 N/A THR 74.A N ASP 18.A OD2 no hydrogen 3.186 N/A THR 74.A OG1 THR 14.A OG1 no hydrogen 3.292 N/A VAL 75.A N ASN 23.A OD1 no hydrogen 2.686 N/A SER 78.A OG THR 14.A OG1 no hydrogen 2.937 N/A SER 78.A OG GLY 16.A O no hydrogen 3.118 N/A CYS 81.A SG ASP 83.A OD2 no hydrogen 3.640 N/A LYS 82.A NZ GLU 86.A OE1 no hydrogen 3.175 N/A LYS 82.A NZ GLU 86.A OE2 no hydrogen 2.932 N/A ARG 85.A N LYS 82.A O no hydrogen 3.068 N/A ARG 87.A NH1 GLU 123.A OE1 no hydrogen 2.897 N/A ARG 90.A N GLU 86.A O no hydrogen 3.354 N/A ARG 90.A NE PHE 84.A O no hydrogen 3.222 N/A LEU 91.A N ARG 87.A O no hydrogen 2.633 N/A ARG 92.A N GLU 88.A O no hydrogen 2.731 N/A ALA 93.A N GLY 89.A O no hydrogen 2.828 N/A ALA 94.A N ARG 90.A O no hydrogen 2.746 N/A HIS 95.A N LEU 91.A O no hydrogen 2.984 N/A ASN 96.A N ARG 92.A O no hydrogen 3.276 N/A ASN 96.A ND2 ARG 92.A O no hydrogen 2.654 N/A LEU 97.A N ALA 93.A O no hydrogen 3.034 N/A VAL 98.A N ALA 94.A O no hydrogen 3.265 N/A LYS 99.A N HIS 95.A O no hydrogen 2.998 N/A ARG 100.A N LEU 97.A O no hydrogen 2.981 N/A ARG 100.A NH2 ILE 57.A O no hydrogen 2.521 N/A ASN 104.A ND2 ALA 9.A O no hydrogen 3.068 N/A LEU 105.A N ASN 149.A O no hydrogen 2.933 N/A CYS 106.A N ALA 11.A O no hydrogen 2.841 N/A VAL 107.A N VAL 151.A O no hydrogen 3.194 N/A ILE 108.A N LEU 13.A O no hydrogen 2.910 N/A GLY 110.A N SER 113.A OG no hydrogen 3.254 N/A SER 113.A OG SER 15.A OG no hydrogen 2.938 N/A LEU 114.A N GLY 110.A O no hydrogen 2.513 N/A THR 115.A N ASP 111.A O no hydrogen 3.456 N/A GLY 116.A N GLY 112.A O no hydrogen 2.853 N/A ALA 117.A N SER 113.A O no hydrogen 3.196 N/A ASP 118.A N LEU 114.A O no hydrogen 2.718 N/A THR 119.A N THR 115.A O no hydrogen 2.943 N/A THR 119.A OG1 THR 119.A O no hydrogen 2.572 N/A PHE 120.A N ASP 118.A O no hydrogen 2.595 N/A ARG 121.A N ALA 117.A O no hydrogen 3.295 N/A ARG 121.A NH2 THR 320.A O no hydrogen 3.057 N/A SER 122.A OG ASP 118.A O no hydrogen 3.465 N/A LEU 128.A N TRP 124.A O no hydrogen 3.069 N/A LEU 128.A N SER 125.A O no hydrogen 2.462 N/A SER 129.A N SER 125.A O no hydrogen 3.230 N/A ASP 130.A N ASP 126.A O no hydrogen 2.519 N/A LEU 131.A N LEU 127.A O no hydrogen 3.014 N/A GLN 132.A N SER 129.A O no hydrogen 3.309 N/A GLN 132.A NE2 LYS 136.A O no hydrogen 2.426 N/A LYS 133.A N ASP 130.A O no hydrogen 3.196 N/A LYS 136.A N LEU 131.A O no hydrogen 3.030 N/A ALA 142.A N THR 138.A O no hydrogen 2.819 N/A SER 145.A OG GLU 141.A O no hydrogen 3.317 N/A SER 145.A OG GLU 141.A OE1 no hydrogen 3.195 N/A SER 145.A OG ALA 142.A O no hydrogen 2.706 N/A TYR 147.A N SER 145.A O no hydrogen 2.702 N/A ASN 149.A N TYR 147.A O no hydrogen 2.764 N/A ASN 149.A ND2 THR 103.A O no hydrogen 3.186 N/A ASN 149.A ND2 ASN 104.A OD1 no hydrogen 2.786 N/A VAL 151.A N LEU 105.A O no hydrogen 3.036 N/A GLY 155.A N GLY 109.A O no hydrogen 2.628 N/A SER 156.A N ILE 168.A O no hydrogen 2.844 N/A SER 156.A OG ASP 158.A OD1 no hydrogen 2.397 N/A ASP 158.A N ASP 158.A OD1 no hydrogen 2.556 N/A ASN 159.A ND2 ASN 159.A O no hydrogen 2.486 N/A CYS 162.A N THR 347.A OG1 no hydrogen 3.156 N/A THR 164.A OG1 MET 166.A O no hydrogen 2.755 N/A ASP 165.A N LEU 330.A O no hydrogen 3.236 N/A THR 167.A N ASN 159.A OD1 no hydrogen 2.694 N/A THR 167.A OG1 SER 156.A O no hydrogen 2.583 N/A ILE 168.A N VAL 154.A O no hydrogen 2.981 N/A GLY 169.A N ASP 301.A OD1 no hydrogen 2.314 N/A SER 172.A N ASP 301.A OD2 no hydrogen 3.106 N/A SER 172.A OG ASP 301.A OD2 no hydrogen 2.837 N/A ALA 173.A N GLY 169.A O no hydrogen 2.586 N/A LEU 174.A N THR 170.A O no hydrogen 2.602 N/A HIS 175.A N ASP 171.A O no hydrogen 2.758 N/A HIS 175.A ND1 ASP 171.A O no hydrogen 3.163 N/A ARG 176.A N SER 172.A O no hydrogen 3.024 N/A ARG 176.A NE GLU 179.A OE1 no hydrogen 2.818 N/A ARG 176.A NE GLU 179.A OE2 no hydrogen 3.081 N/A ARG 176.A NH1 GLY 294.A O no hydrogen 2.858 N/A ARG 176.A NH1 THR 296.A O no hydrogen 3.313 N/A ARG 176.A NH2 GLU 179.A OE1 no hydrogen 3.094 N/A ARG 176.A NH2 THR 296.A O no hydrogen 3.221 N/A ILE 177.A N ALA 173.A O no hydrogen 3.119 N/A THR 178.A N LEU 174.A O no hydrogen 2.875 N/A THR 178.A OG1 LEU 174.A O no hydrogen 2.805 N/A GLU 179.A N HIS 175.A O no hydrogen 2.789 N/A ILE 180.A N ARG 176.A O no hydrogen 3.152 N/A VAL 181.A N ILE 177.A O no hydrogen 3.202 N/A ASP 182.A N THR 178.A O no hydrogen 2.473 N/A ALA 183.A N GLU 179.A O no hydrogen 2.968 N/A ILE 184.A N ILE 180.A O no hydrogen 2.551 N/A THR 185.A OG1 VAL 181.A O no hydrogen 2.728 N/A THR 186.A N ASP 182.A O no hydrogen 2.994 N/A THR 186.A OG1 ASP 182.A O no hydrogen 3.454 N/A THR 187.A OG1 ALA 183.A O no hydrogen 3.490 N/A SER 190.A OG HIS 191.A ND1 no hydrogen 2.813 N/A HIS 191.A ND1 SER 190.A OG no hydrogen 2.813 N/A ARG 193.A N HIS 191.A O no hydrogen 2.356 N/A THR 194.A N ASP 282.A O no hydrogen 3.231 N/A THR 194.A OG1 GLN 192.A O no hydrogen 3.025 N/A GLU 198.A N THR 286.A O no hydrogen 3.149 N/A VAL 199.A N VAL 254.A O no hydrogen 3.009 N/A MET 200.A N GLN 292.A OE1 no hydrogen 2.938 N/A CYS 204.A SG ASP 158.A O no hydrogen 3.609 N/A CYS 204.A SG ASN 159.A O no hydrogen 4.005 N/A GLY 205.A N GLU 224.A OE1 no hydrogen 2.951 N/A GLY 205.A N GLU 224.A OE2 no hydrogen 3.085 N/A LEU 209.A N GLY 205.A O no hydrogen 2.547 N/A VAL 210.A N TYR 206.A O no hydrogen 2.834 N/A THR 211.A N LEU 207.A O no hydrogen 2.865 N/A SER 212.A N ALA 208.A O no hydrogen 3.300 N/A SER 212.A OG ALA 208.A O no hydrogen 2.456 N/A LEU 213.A N LEU 209.A O no hydrogen 3.032 N/A SER 214.A N VAL 210.A O no hydrogen 3.127 N/A SER 214.A OG VAL 210.A O no hydrogen 2.390 N/A SER 214.A OG THR 211.A O no hydrogen 3.322 N/A CYS 215.A N THR 211.A O no hydrogen 3.033 N/A CYS 215.A SG THR 211.A O no hydrogen 2.744 N/A GLY 216.A N SER 212.A O no hydrogen 2.939 N/A ALA 217.A N SER 212.A O no hydrogen 2.868 N/A ASP 218.A N ILE 251.A O no hydrogen 2.827 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.754 N/A CYS 225.A N ILE 222.A O no hydrogen 3.095 N/A ASN 230.A N ASP 229.A OD2 no hydrogen 2.511 N/A TRP 231.A N ASP 233.A OD1 no hydrogen 2.871 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.404 N/A HIS 234.A N ASP 233.A OD1 no hydrogen 2.821 N/A LEU 235.A N TRP 231.A O no hydrogen 2.428 N/A CYS 236.A N GLU 232.A O no hydrogen 2.753 N/A CYS 236.A SG GLU 232.A O no hydrogen 2.850 N/A ARG 237.A N ASP 233.A O no hydrogen 2.520 N/A ARG 238.A N HIS 234.A O no hydrogen 2.730 N/A ARG 238.A NH2 ALA 381.A O no hydrogen 3.419 N/A LEU 239.A N LEU 235.A O no hydrogen 2.816 N/A SER 240.A N CYS 236.A O no hydrogen 2.511 N/A GLU 241.A N ARG 237.A O no hydrogen 2.418 N/A THR 242.A N ARG 238.A O no hydrogen 2.922 N/A ARG 243.A N SER 240.A O no hydrogen 3.086 N/A ARG 245.A N GLU 241.A O no hydrogen 3.183 N/A GLY 246.A N ARG 243.A O no hydrogen 2.828 N/A SER 247.A OG THR 242.A O no hydrogen 3.328 N/A ASN 250.A N ARG 193.A O no hydrogen 2.950 N/A ILE 251.A N ASP 218.A OD2 no hydrogen 3.393 N/A ILE 252.A N PHE 195.A O no hydrogen 3.142 N/A VAL 254.A N LEU 197.A O no hydrogen 2.833 N/A ALA 255.A N PHE 221.A O no hydrogen 3.104 N/A GLY 257.A N GLY 201.A O no hydrogen 2.689 N/A ALA 258.A N ALA 255.A O no hydrogen 3.203 N/A ARG 261.A NH1 ASP 228.A OD1 no hydrogen 2.884 N/A GLY 263.A N ASP 260.A O no hydrogen 2.826 N/A LYS 264.A N ASP 260.A OD2 no hydrogen 2.926 N/A LYS 264.A NZ ASN 262.A O no hydrogen 2.711 N/A ILE 266.A N ALA 258.A O no hydrogen 2.798 N/A SER 268.A OG GLU 198.A OE2 no hydrogen 2.493 N/A GLY 270.A N THR 267.A OG1 no hydrogen 3.163 N/A VAL 271.A N THR 267.A O no hydrogen 2.880 N/A LYS 272.A N SER 268.A O no hydrogen 3.183 N/A LYS 272.A NZ THR 283.A O no hydrogen 3.216 N/A ASP 273.A N GLU 269.A O no hydrogen 2.930 N/A LEU 274.A N GLY 270.A O no hydrogen 2.936 N/A VAL 275.A N VAL 271.A O no hydrogen 2.921 N/A VAL 276.A N ASP 273.A O no hydrogen 2.734 N/A ARG 277.A N ASP 273.A O no hydrogen 2.687 N/A ARG 278.A N LEU 274.A O no hydrogen 3.078 N/A THR 283.A OG1 TYR 281.A O no hydrogen 2.841 N/A THR 286.A N VAL 196.A O no hydrogen 3.064 N/A ARG 293.A NH1 ASP 18.A O no hydrogen 2.527 N/A GLY 294.A N VAL 291.A O no hydrogen 2.435 N/A THR 296.A OG1 GLN 70.A O no hydrogen 2.902 N/A SER 298.A OG ASP 171.A OD2 no hydrogen 2.720 N/A ALA 299.A N ASN 539.A OD1 no hydrogen 2.975 N/A ASP 301.A N SER 298.A OG no hydrogen 3.389 N/A ARG 302.A N SER 298.A O no hydrogen 2.740 N/A ARG 302.A NE PRO 297.A O no hydrogen 3.245 N/A ARG 302.A NH1 ASP 546.A OD1 no hydrogen 3.279 N/A ARG 302.A NH1 ALA 579.A O no hydrogen 3.050 N/A ILE 303.A N ALA 299.A O no hydrogen 2.654 N/A LEU 304.A N PHE 300.A O no hydrogen 2.499 N/A GLY 305.A N ASP 301.A O no hydrogen 2.972 N/A SER 306.A N ARG 302.A O no hydrogen 3.262 N/A SER 306.A OG ARG 302.A O no hydrogen 3.276 N/A ARG 307.A N ILE 303.A O no hydrogen 2.997 N/A ARG 307.A NH1 ASN 333.A OD1 no hydrogen 3.356 N/A ARG 307.A NH2 ASN 333.A O no hydrogen 2.952 N/A MET 308.A N LEU 304.A O no hydrogen 2.958 N/A GLY 309.A N GLY 305.A O no hydrogen 2.717 N/A VAL 310.A N SER 306.A O no hydrogen 3.166 N/A GLU 311.A N ARG 307.A O no hydrogen 3.025 N/A ALA 312.A N MET 308.A O no hydrogen 2.736 N/A VAL 313.A N GLY 309.A O no hydrogen 3.061 N/A MET 314.A N VAL 310.A O no hydrogen 2.955 N/A ALA 315.A N GLU 311.A O no hydrogen 3.053 N/A LEU 316.A N ALA 312.A O no hydrogen 2.779 N/A LEU 317.A N VAL 313.A O no hydrogen 3.095 N/A LEU 317.A N MET 314.A O no hydrogen 2.992 N/A GLU 318.A N MET 314.A O no hydrogen 2.920 N/A THR 320.A OG1 THR 323.A OG1 no hydrogen 3.009 N/A ASP 322.A N THR 320.A OG1 no hydrogen 2.813 N/A THR 323.A OG1 THR 320.A OG1 no hydrogen 3.009 N/A SER 329.A N VAL 336.A O no hydrogen 2.997 N/A SER 329.A OG GLY 163.A O no hydrogen 3.251 N/A SER 331.A N GLN 334.A O no hydrogen 3.136 N/A GLY 332.A N ASP 165.A OD2 no hydrogen 2.859 N/A ASN 333.A ND2 ASP 529.A OD2 no hydrogen 3.507 N/A GLN 334.A N SER 331.A O no hydrogen 2.931 N/A GLN 334.A NE2 SER 331.A O no hydrogen 3.637 N/A VAL 336.A N SER 329.A O no hydrogen 2.829 N/A ARG 337.A NE GLU 311.A OE2 no hydrogen 2.447 N/A ARG 337.A NH2 GLU 318.A OE1 no hydrogen 3.229 N/A LEU 340.A N ALA 325.A O no hydrogen 2.813 N/A CYS 343.A N PRO 339.A O no hydrogen 3.026 N/A CYS 343.A SG CYS 162.A O no hydrogen 3.840 N/A CYS 343.A SG PRO 339.A O no hydrogen 3.458 N/A VAL 344.A N LEU 340.A O no hydrogen 2.940 N/A GLN 345.A N MET 341.A O no hydrogen 2.609 N/A VAL 346.A N CYS 343.A O no hydrogen 2.938 N/A THR 347.A N CYS 343.A O no hydrogen 2.791 N/A LYS 348.A N VAL 344.A O no hydrogen 2.914 N/A VAL 350.A N VAL 346.A O no hydrogen 3.102 N/A THR 351.A N LYS 348.A O no hydrogen 2.586 N/A ALA 353.A N ASP 349.A O no hydrogen 3.074 N/A MET 354.A N THR 351.A O no hydrogen 2.583 N/A ASP 355.A N THR 351.A O no hydrogen 2.768 N/A GLU 356.A N LYS 352.A O no hydrogen 3.048 N/A GLU 356.A N GLU 356.A OE2 no hydrogen 2.415 N/A LYS 357.A NZ ASN 262.A OD1 no hydrogen 3.058 N/A ARG 358.A N GLU 356.A O no hydrogen 2.213 N/A PHE 359.A N LYS 357.A O no hydrogen 2.892 N/A ALA 362.A N ARG 358.A O no hydrogen 2.746 N/A MET 363.A N PHE 359.A O no hydrogen 2.494 N/A LYS 364.A N ASP 360.A O no hydrogen 2.980 N/A LEU 365.A N GLU 361.A O no hydrogen 2.977 N/A ARG 366.A N ALA 362.A O no hydrogen 3.204 N/A ARG 366.A NE GLU 224.A OE2 no hydrogen 2.789 N/A ARG 366.A NH2 GLU 224.A OE2 no hydrogen 2.891 N/A GLY 367.A N MET 363.A O no hydrogen 2.827 N/A MET 371.A N GLY 367.A O no hydrogen 2.966 N/A ASN 372.A N SER 369.A O no hydrogen 2.440 N/A ASN 373.A N SER 369.A O no hydrogen 2.933 N/A TRP 374.A N PHE 370.A O no hydrogen 2.846 N/A GLU 375.A N MET 371.A O no hydrogen 2.993 N/A VAL 376.A N ASN 372.A O no hydrogen 2.529 N/A TYR 377.A N ASN 373.A O no hydrogen 2.663 N/A TYR 377.A OH ALA 217.A O no hydrogen 2.571 N/A LYS 378.A N TRP 374.A O no hydrogen 3.042 N/A LEU 379.A N GLU 375.A O no hydrogen 3.125 N/A LEU 380.A N VAL 376.A O no hydrogen 2.980 N/A ALA 381.A N TYR 377.A O no hydrogen 2.866 N/A GLY 391.A N SER 390.A OG no hydrogen 2.380 N/A SER 392.A OG LYS 389.A O no hydrogen 3.407 N/A SER 392.A OG SER 390.A O no hydrogen 3.238 N/A THR 394.A N GLN 483.A OE1 no hydrogen 3.078 N/A THR 394.A OG1 ASN 481.A O no hydrogen 3.291 N/A VAL 395.A N ARG 424.A O no hydrogen 2.921 N/A ALA 396.A N GLY 484.A O no hydrogen 3.302 N/A VAL 397.A N LEU 426.A O no hydrogen 3.154 N/A MET 398.A N VAL 486.A O no hydrogen 3.110 N/A ASN 399.A ND2 SER 457.A OG no hydrogen 3.028 N/A VAL 400.A N ILE 488.A O no hydrogen 2.891 N/A GLY 401.A N LYS 462.A O no hydrogen 3.251 N/A MET 407.A N ALA 404.A O no hydrogen 3.490 N/A ASN 408.A ND2 GLN 454.A O no hydrogen 2.726 N/A ASN 408.A ND2 GLY 455.A O no hydrogen 2.906 N/A ALA 410.A N GLY 406.A O no hydrogen 2.686 N/A VAL 411.A N MET 407.A O no hydrogen 2.804 N/A ARG 412.A N ASN 408.A O no hydrogen 2.898 N/A SER 413.A N ALA 409.A O no hydrogen 3.361 N/A SER 413.A OG THR 669.A O no hydrogen 2.918 N/A THR 414.A N ALA 410.A O no hydrogen 2.901 N/A THR 414.A OG1 ALA 410.A O no hydrogen 3.125 N/A THR 414.A OG1 GLY 672.A O no hydrogen 3.158 N/A VAL 415.A N VAL 411.A O no hydrogen 2.887 N/A ARG 416.A N ARG 412.A O no hydrogen 3.016 N/A ARG 416.A NE TRP 445.A O no hydrogen 2.639 N/A ARG 416.A NH2 TRP 445.A O no hydrogen 3.263 N/A ILE 417.A N SER 413.A O no hydrogen 2.824 N/A GLY 418.A N THR 414.A O no hydrogen 3.018 N/A LEU 419.A N VAL 415.A O no hydrogen 2.887 N/A ILE 420.A N ARG 416.A O no hydrogen 2.792 N/A GLN 421.A N ILE 417.A O no hydrogen 3.047 N/A GLN 421.A N GLY 418.A O no hydrogen 2.780 N/A GLN 421.A NE2 MET 676.A O no hydrogen 2.984 N/A GLY 422.A N GLY 418.A O no hydrogen 3.313 N/A GLY 422.A N LEU 419.A O no hydrogen 3.038 N/A ASN 423.A ND2 GLN 421.A OE1 no hydrogen 3.025 N/A ARG 424.A N TYR 393.A O no hydrogen 2.974 N/A ARG 424.A NH2 THR 394.A OG1 no hydrogen 3.210 N/A ARG 424.A NH2 PHE 480.A O no hydrogen 2.962 N/A LEU 426.A N VAL 395.A O no hydrogen 2.657 N/A VAL 427.A N GLU 441.A O no hydrogen 2.534 N/A VAL 428.A N VAL 397.A O no hydrogen 2.838 N/A HIS 429.A N GLN 439.A O no hydrogen 2.917 N/A HIS 429.A NE2 TYR 447.A OH no hydrogen 3.116 N/A ASP 430.A N GLY 460.A O no hydrogen 3.102 N/A GLY 434.A N GLY 431.A O no hydrogen 2.763 N/A ALA 436.A N PHE 432.A O no hydrogen 3.258 N/A LYS 437.A N GLU 433.A O no hydrogen 2.800 N/A GLY 438.A N PRO 435.A O no hydrogen 3.235 N/A GLN 439.A N GLY 434.A O no hydrogen 3.273 N/A GLU 441.A N VAL 427.A O no hydrogen 3.072 N/A ALA 443.A N VAL 425.A O no hydrogen 2.723 N/A TYR 447.A N GLY 444.A O no hydrogen 3.129 N/A TYR 447.A OH GLU 441.A OE1 no hydrogen 2.660 N/A GLY 449.A N SER 446.A O no hydrogen 2.413 N/A THR 452.A OG1 SER 214.A O no hydrogen 3.135 N/A LYS 458.A N ASN 408.A OD1 no hydrogen 2.524 N/A LYS 458.A NZ GLN 454.A OE1 no hydrogen 3.338 N/A GLY 460.A N SER 457.A O no hydrogen 3.147 N/A GLY 460.A N SER 457.A OG no hydrogen 2.938 N/A SER 461.A OG GLY 401.A O no hydrogen 2.841 N/A ARG 463.A NE GLU 492.A OE2 no hydrogen 3.118 N/A THR 464.A OG1 LEU 465.A O no hydrogen 3.357 N/A LYS 467.A N GLU 499.A OE1 no hydrogen 2.756 N/A SER 469.A N PRO 466.A O no hydrogen 2.696 N/A SER 469.A OG PRO 466.A O no hydrogen 3.040 N/A PHE 470.A N LYS 467.A O no hydrogen 3.064 N/A ILE 473.A N SER 469.A O no hydrogen 2.966 N/A SER 474.A N PHE 470.A O no hydrogen 2.674 N/A SER 474.A OG PHE 470.A O no hydrogen 2.694 N/A SER 474.A OG GLU 471.A O no hydrogen 2.777 N/A ALA 475.A N GLU 471.A O no hydrogen 2.908 N/A ASN 476.A N GLN 472.A O no hydrogen 3.014 N/A ASN 476.A ND2 GLN 472.A O no hydrogen 3.156 N/A ILE 477.A N ILE 473.A O no hydrogen 2.626 N/A THR 478.A N SER 474.A O no hydrogen 2.969 N/A THR 478.A N ALA 475.A O no hydrogen 3.286 N/A LYS 479.A N ALA 475.A O no hydrogen 2.953 N/A PHE 480.A N ASN 476.A O no hydrogen 2.773 N/A GLN 483.A N THR 394.A O no hydrogen 3.290 N/A LEU 485.A N PRO 513.A O no hydrogen 2.934 N/A VAL 486.A N ALA 396.A O no hydrogen 2.942 N/A ILE 487.A N VAL 515.A O no hydrogen 2.988 N/A ILE 488.A N MET 398.A O no hydrogen 2.807 N/A GLY 489.A N ILE 517.A O no hydrogen 2.959 N/A GLY 490.A N VAL 400.A O no hydrogen 3.364 N/A ALA 493.A N GLY 490.A O no hydrogen 2.774 N/A TYR 494.A N GLY 490.A O no hydrogen 3.231 N/A THR 495.A N PHE 491.A O no hydrogen 2.798 N/A GLY 496.A N GLU 492.A O no hydrogen 2.641 N/A LEU 498.A N TYR 494.A O no hydrogen 2.819 N/A GLU 499.A N THR 495.A O no hydrogen 3.027 N/A LEU 500.A N GLY 497.A O no hydrogen 2.714 N/A MET 501.A N GLY 497.A O no hydrogen 3.327 N/A GLU 502.A N LEU 498.A O no hydrogen 3.373 N/A ARG 504.A N LEU 500.A O no hydrogen 3.184 N/A ARG 504.A N MET 501.A O no hydrogen 2.564 N/A ARG 504.A NE ILE 512.A O no hydrogen 3.395 N/A ARG 504.A NH1 THR 696.A O no hydrogen 2.880 N/A ARG 504.A NH2 THR 696.A O no hydrogen 3.262 N/A LYS 505.A N GLU 502.A O no hydrogen 2.833 N/A LYS 505.A NZ GLU 502.A OE1 no hydrogen 3.318 N/A LYS 505.A NZ GLU 502.A OE2 no hydrogen 3.221 N/A GLN 506.A N GLY 503.A O no hydrogen 2.851 N/A PHE 507.A N GLY 503.A O no hydrogen 2.582 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.590 N/A CYS 511.A N ASP 508.A O no hydrogen 2.757 N/A CYS 511.A SG ARG 504.A O no hydrogen 3.420 N/A CYS 511.A SG PHE 507.A O no hydrogen 3.584 N/A VAL 515.A N LEU 485.A O no hydrogen 2.911 N/A ILE 517.A N ILE 487.A O no hydrogen 2.740 N/A ALA 519.A N GLY 489.A O no hydrogen 2.523 N/A THR 520.A OG1 ASN 524.A OD1 no hydrogen 3.452 N/A ASN 523.A N THR 520.A O no hydrogen 3.415 N/A ASN 523.A ND2 SER 531.A OG no hydrogen 3.290 N/A ASN 524.A ND2 ARG 727.A O no hydrogen 3.400 N/A SER 528.A OG PHE 530.A O no hydrogen 3.092 N/A SER 528.A OG MET 705.A O no hydrogen 3.533 N/A ASP 529.A N MET 705.A O no hydrogen 2.856 N/A SER 531.A OG THR 520.A O no hydrogen 2.369 N/A VAL 532.A N PRO 518.A O no hydrogen 2.846 N/A GLY 533.A N ASP 664.A OD1 no hydrogen 2.869 N/A THR 536.A N ASP 664.A OD2 no hydrogen 2.836 N/A THR 536.A OG1 ASP 664.A OD2 no hydrogen 2.847 N/A ALA 537.A N GLY 533.A O no hydrogen 3.153 N/A LEU 538.A N ALA 534.A O no hydrogen 2.593 N/A ASN 539.A N ASP 535.A O no hydrogen 2.456 N/A THR 540.A N ALA 537.A O no hydrogen 2.483 N/A THR 540.A OG1 THR 536.A O no hydrogen 3.132 N/A ILE 541.A N ALA 537.A O no hydrogen 2.996 N/A CYS 542.A N LEU 538.A O no hydrogen 3.359 N/A THR 544.A N THR 540.A O no hydrogen 3.118 N/A CYS 545.A N ILE 541.A O no hydrogen 2.730 N/A ASP 546.A N CYS 542.A O no hydrogen 2.871 N/A ARG 547.A N THR 543.A O no hydrogen 2.931 N/A ILE 548.A N THR 544.A O no hydrogen 2.914 N/A LYS 549.A N CYS 545.A O no hydrogen 2.912 N/A LYS 549.A NZ ALA 580.A O no hydrogen 3.539 N/A GLN 550.A N ASP 546.A O no hydrogen 2.739 N/A SER 551.A N LYS 549.A O no hydrogen 2.506 N/A SER 551.A OG ILE 548.A O no hydrogen 2.828 N/A THR 555.A N ALA 552.A O no hydrogen 3.090 N/A ARG 557.A NH2 THR 610.A O no hydrogen 3.116 N/A ARG 558.A N LYS 613.A O no hydrogen 3.094 N/A ARG 558.A NH2 ASP 645.A OD2 no hydrogen 2.522 N/A VAL 559.A N ASP 645.A O no hydrogen 3.016 N/A PHE 560.A N GLY 615.A O no hydrogen 2.522 N/A ILE 561.A N ARG 647.A O no hydrogen 3.258 N/A ILE 562.A N VAL 617.A O no hydrogen 2.676 N/A THR 564.A N ARG 619.A O no hydrogen 3.087 N/A THR 564.A OG1 MET 565.A O no hydrogen 3.149 N/A GLY 567.A N GLU 621.A OE2 no hydrogen 2.794 N/A CYS 569.A N GLY 566.A O no hydrogen 2.611 N/A CYS 569.A SG SER 522.A O no hydrogen 3.780 N/A CYS 569.A SG ASN 523.A O no hydrogen 3.772 N/A CYS 569.A SG GLU 589.A OE2 no hydrogen 3.606 N/A GLY 570.A N GLU 589.A OE1 no hydrogen 3.093 N/A GLY 570.A N GLU 589.A OE2 no hydrogen 2.616 N/A THR 574.A N GLY 570.A O no hydrogen 3.409 N/A THR 574.A OG1 GLY 570.A O no hydrogen 2.971 N/A MET 575.A N TYR 571.A O no hydrogen 2.619 N/A ALA 576.A N LEU 572.A O no hydrogen 2.675 N/A GLY 577.A N ALA 573.A O no hydrogen 2.736 N/A LEU 578.A N THR 574.A O no hydrogen 3.037 N/A LEU 578.A N MET 575.A O no hydrogen 2.891 N/A ALA 579.A N MET 575.A O no hydrogen 2.846 N/A ALA 580.A N ALA 576.A O no hydrogen 2.822 N/A GLY 581.A N LEU 578.A O no hydrogen 3.300 N/A ALA 582.A N GLY 577.A O no hydrogen 2.800 N/A ASP 583.A N LEU 616.A O no hydrogen 2.800 N/A TYR 586.A N LEU 618.A O no hydrogen 2.740 N/A GLU 589.A N GLU 589.A OE1 no hydrogen 2.457 N/A THR 593.A N ASP 596.A OD2 no hydrogen 2.584 N/A ARG 595.A N THR 593.A OG1 no hydrogen 3.268 N/A ASP 596.A N THR 593.A O no hydrogen 2.594 N/A LEU 597.A N THR 593.A O no hydrogen 3.247 N/A GLN 598.A N ILE 594.A O no hydrogen 2.989 N/A ALA 599.A N ARG 595.A O no hydrogen 3.419 N/A ASN 600.A N ASP 596.A O no hydrogen 2.913 N/A ASN 600.A N LEU 597.A O no hydrogen 3.138 N/A ASN 600.A ND2 TYR 586.A OH no hydrogen 2.776 N/A VAL 601.A N LEU 597.A O no hydrogen 2.790 N/A GLU 602.A N GLN 598.A O no hydrogen 2.604 N/A LEU 604.A N ASN 600.A O no hydrogen 3.319 N/A VAL 605.A N VAL 601.A O no hydrogen 3.232 N/A LYS 607.A N LEU 604.A O no hydrogen 2.753 N/A LYS 607.A NZ ASP 583.A OD1 no hydrogen 3.011 N/A LYS 607.A NZ ALA 745.A O no hydrogen 3.099 N/A MET 608.A N LEU 604.A O no hydrogen 2.722 N/A LYS 609.A N VAL 605.A O no hydrogen 2.814 N/A THR 610.A OG1 GLN 606.A O no hydrogen 3.357 N/A ARG 614.A NH1 SER 551.A O no hydrogen 2.995 N/A ARG 614.A NH2 SER 551.A O no hydrogen 3.094 N/A GLY 615.A N ARG 558.A O no hydrogen 2.882 N/A VAL 617.A N PHE 560.A O no hydrogen 2.641 N/A LEU 618.A N ALA 584.A O no hydrogen 2.853 N/A ARG 619.A N ILE 562.A O no hydrogen 2.597 N/A ARG 619.A NH1 THR 629.A OG1 no hydrogen 2.886 N/A ASN 620.A N TYR 586.A O no hydrogen 2.715 N/A ASN 620.A ND2 GLY 567.A O no hydrogen 3.400 N/A GLU 621.A N THR 564.A O no hydrogen 2.973 N/A CYS 623.A N ASN 620.A O no hydrogen 3.244 N/A CYS 623.A SG ASN 620.A O no hydrogen 3.552 N/A ASN 626.A N ASN 624.A OD1 no hydrogen 2.535 N/A TYR 627.A N ASN 624.A OD1 no hydrogen 2.751 N/A THR 629.A OG1 GLU 563.A OE2 no hydrogen 2.817 N/A PHE 631.A N THR 628.A O no hydrogen 2.988 N/A ILE 632.A N THR 628.A O no hydrogen 2.938 N/A PHE 633.A N THR 629.A O no hydrogen 2.641 N/A ASN 634.A N ASP 630.A O no hydrogen 3.426 N/A LEU 635.A N PHE 631.A O no hydrogen 2.854 N/A TYR 636.A N ILE 632.A O no hydrogen 2.739 N/A SER 637.A N PHE 633.A O no hydrogen 2.560 N/A SER 637.A OG PHE 633.A O no hydrogen 3.148 N/A SER 637.A OG SER 646.A OG no hydrogen 2.819 N/A GLU 639.A N LEU 635.A O no hydrogen 3.384 N/A GLY 640.A N SER 637.A O no hydrogen 2.350 N/A LYS 641.A N GLU 638.A O no hydrogen 2.677 N/A LYS 641.A NZ GLU 638.A OE2 no hydrogen 3.338 N/A PHE 644.A N GLY 640.A O no hydrogen 2.697 N/A ASP 645.A N ARG 557.A O no hydrogen 3.245 N/A SER 646.A OG SER 637.A OG no hydrogen 2.819 N/A ARG 647.A N VAL 559.A O no hydrogen 3.097 N/A ARG 647.A NH1 ASP 645.A OD1 no hydrogen 3.406 N/A LYS 648.A NZ LYS 648.A O no hydrogen 3.506 N/A SER 659.A OG GLY 453.A O no hydrogen 3.273 N/A THR 661.A N THR 536.A OG1 no hydrogen 2.847 N/A THR 661.A OG1 ASP 535.A OD2 no hydrogen 2.873 N/A ARG 665.A N THR 661.A O no hydrogen 2.991 N/A ARG 665.A NE PRO 660.A O no hydrogen 2.499 N/A ARG 665.A NH1 SER 214.A O no hydrogen 3.367 N/A ARG 665.A NH2 ASP 182.A OD1 no hydrogen 3.294 N/A ASN 666.A N PRO 662.A O no hydrogen 2.912 N/A PHE 667.A N PHE 663.A O no hydrogen 2.765 N/A ALA 668.A N ASP 664.A O no hydrogen 2.674 N/A THR 669.A N ASN 666.A O no hydrogen 2.621 N/A THR 669.A OG1 ARG 665.A O no hydrogen 3.433 N/A LYS 670.A N ASN 666.A O no hydrogen 2.764 N/A MET 671.A N PHE 667.A O no hydrogen 3.327 N/A LYS 674.A N LYS 670.A O no hydrogen 3.037 N/A ALA 675.A N MET 671.A O no hydrogen 2.867 N/A MET 676.A N GLY 672.A O no hydrogen 3.414 N/A ASN 677.A N ALA 673.A O no hydrogen 2.994 N/A TRP 678.A N LYS 674.A O no hydrogen 3.268 N/A MET 679.A N ALA 675.A O no hydrogen 2.674 N/A ALA 680.A N ASN 677.A O no hydrogen 2.910 N/A GLY 681.A N ASN 677.A O no hydrogen 3.483 N/A LYS 682.A N TRP 678.A O no hydrogen 3.197 N/A LYS 682.A NZ GLU 685.A OE1 no hydrogen 3.221 N/A LYS 682.A NZ GLU 685.A OE2 no hydrogen 3.450 N/A ILE 683.A N MET 679.A O no hydrogen 2.985 N/A LYS 684.A N ALA 680.A O no hydrogen 3.095 N/A GLU 685.A N GLY 681.A O no hydrogen 3.059 N/A SER 686.A N ILE 683.A O no hydrogen 3.297 N/A SER 686.A OG LYS 682.A O no hydrogen 2.897 N/A TYR 687.A N LYS 684.A O no hydrogen 3.091 N/A ARG 688.A N ARG 691.A O no hydrogen 3.050 N/A ARG 691.A NH1 ILE 692.A O no hydrogen 2.754 N/A PHE 693.A N SER 686.A O no hydrogen 2.456 N/A ALA 694.A N CYS 511.A O no hydrogen 2.471 N/A THR 696.A OG1 ASP 698.A OD1 no hydrogen 3.259 N/A SER 699.A OG THR 696.A O no hydrogen 3.226 N/A CYS 701.A N PHE 514.A O no hydrogen 2.601 N/A CYS 701.A SG ASP 698.A O no hydrogen 3.708 N/A CYS 701.A SG SER 699.A O no hydrogen 3.772 N/A CYS 701.A SG GLN 713.A O no hydrogen 3.088 N/A VAL 702.A N GLN 713.A O no hydrogen 2.779 N/A LEU 703.A N VAL 516.A O no hydrogen 2.939 N/A GLY 704.A N VAL 711.A O no hydrogen 3.165 N/A MET 705.A N SER 528.A OG no hydrogen 2.608 N/A ARG 706.A N ALA 709.A O no hydrogen 3.051 N/A ARG 706.A NH2 ASP 529.A OD1 no hydrogen 2.374 N/A LYS 707.A N ASP 529.A OD2 no hydrogen 3.307 N/A LYS 707.A NZ GLN 334.A OE1 no hydrogen 3.514 N/A ALA 709.A N ARG 706.A O no hydrogen 3.375 N/A VAL 711.A N GLY 704.A O no hydrogen 2.756 N/A GLN 713.A N VAL 702.A O no hydrogen 3.041 N/A LEU 718.A N PRO 714.A O no hydrogen 3.150 N/A LEU 718.A N VAL 715.A O no hydrogen 2.883 N/A GLN 719.A N VAL 715.A O no hydrogen 3.138 N/A GLN 719.A NE2 THR 716.A O no hydrogen 3.299 N/A GLN 721.A N LEU 718.A O no hydrogen 2.589 N/A THR 722.A N GLN 719.A O no hydrogen 3.063 N/A ASP 723.A N ILE 728.A O no hydrogen 3.045 N/A HIS 726.A N ASP 723.A OD1 no hydrogen 2.752 N/A ARG 727.A NH2 GLU 492.A OE1 no hydrogen 2.586 N/A ILE 728.A N ASP 723.A O no hydrogen 3.129 N/A LYS 730.A N GLN 721.A O no hydrogen 2.968 N/A TRP 733.A NE1 ASP 529.A O no hydrogen 2.890 N/A LEU 735.A N GLN 732.A O no hydrogen 2.901 N/A LYS 736.A N TRP 733.A O no hydrogen 3.048 N/A LEU 737.A N TRP 734.A O no hydrogen 3.086 N/A ARG 738.A NE GLU 590.A OE1 no hydrogen 3.184 N/A ARG 738.A NH1 THR 574.A OG1 no hydrogen 2.354 N/A ARG 738.A NH1 ALA 585.A O no hydrogen 3.141 N/A ARG 738.A NH2 ALA 585.A O no hydrogen 2.587 N/A LEU 741.A N LEU 737.A O no hydrogen 3.094 N/A LYS 742.A N ARG 738.A O no hydrogen 2.822 N/A LYS 742.A N PRO 739.A O no hydrogen 2.730 N/A ILE 743.A N PRO 739.A O no hydrogen 2.869 N/A LEU 744.A N ILE 740.A O no hydrogen 3.250 N/A ALA 745.A N LYS 742.A O no hydrogen 3.275 N/A LYS 746.A N ILE 743.A O no hydrogen 2.566 N/A TYR 747.A N LYS 742.A O no hydrogen 3.210 N/A TYR 747.A OH ASP 583.A OD1 no hydrogen 3.322 N/A TYR 747.A OH ASP 583.A OD2 no hydrogen 2.518 N/A TYR 747.A OH ASN 600.A O no hydrogen 3.254 N/A