Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ILE 189.A O no hydrogen 2.577 N/A ALA 1.A N ASP 192.A OD1 no hydrogen 3.051 N/A ALA 1.A N ASP 192.A OD2 no hydrogen 3.135 N/A TYR 5.A N ILE 185.A O no hydrogen 2.966 N/A TYR 5.A OH ASP 14.A O no hydrogen 2.474 N/A ASN 6.A N GLN 19.A OE1 no hydrogen 3.155 N/A ALA 7.A N ARG 183.A O no hydrogen 3.262 N/A THR 8.A OG1 ASP 10.A OD1 no hydrogen 3.483 N/A THR 8.A OG1 ASP 14.A OD1 no hydrogen 2.704 N/A GLY 9.A N ASP 14.A OD2 no hydrogen 2.283 N/A PHE 13.A N ASP 10.A OD2 no hydrogen 2.988 N/A ASP 14.A N THR 11.A O no hydrogen 2.983 N/A ALA 17.A N SER 15.A OG no hydrogen 3.422 N/A LYS 18.A N SER 15.A O no hydrogen 2.484 N/A GLN 19.A N SER 15.A O no hydrogen 3.325 N/A GLN 19.A NE2 ASN 6.A O no hydrogen 2.653 N/A TRP 21.A N PRO 16.A O no hydrogen 2.999 N/A TRP 21.A NE1 ASP 4.A O no hydrogen 3.059 N/A MET 22.A N THR 54.A O no hydrogen 2.798 N/A ASN 25.A ND2 GLY 29.A O no hydrogen 3.453 N/A THR 26.A N ARG 50.A O no hydrogen 2.834 N/A THR 26.A OG1 SER 174.A OG no hydrogen 2.866 N/A GLY 29.A N THR 26.A O no hydrogen 3.023 N/A SER 30.A N GLN 45.A O no hydrogen 2.761 N/A VAL 32.A N LEU 43.A O no hydrogen 2.937 N/A THR 34.A N ALA 41.A O no hydrogen 2.900 N/A GLY 38.A N ASN 35.A O no hydrogen 2.846 N/A MET 39.A N ALA 36.A O no hydrogen 2.596 N/A ALA 41.A N THR 34.A O no hydrogen 2.932 N/A TRP 42.A N TYR 182.A O no hydrogen 3.173 N/A LEU 43.A N VAL 32.A O no hydrogen 2.834 N/A VAL 44.A N ALA 180.A O no hydrogen 2.868 N/A GLN 45.A N SER 30.A O no hydrogen 2.533 N/A GLY 46.A N GLY 178.A O no hydrogen 2.832 N/A GLY 48.A N ASP 177.A OD1 no hydrogen 2.792 N/A ARG 50.A N THR 26.A OG1 no hydrogen 2.624 N/A ARG 50.A NE ASP 24.A O no hydrogen 3.367 N/A ARG 50.A NE ASP 24.A OD2 no hydrogen 3.049 N/A ARG 50.A NH2 ASP 24.A OD1 no hydrogen 3.073 N/A ALA 51.A N ASN 171.A O no hydrogen 3.173 N/A GLN 52.A N ASN 25.A OD1 no hydrogen 3.003 N/A TRP 53.A N TRP 169.A O no hydrogen 2.619 N/A THR 54.A N MET 22.A O no hydrogen 3.070 N/A TYR 55.A N ILE 167.A O no hydrogen 2.860 N/A SER 58.A N GLN 61.A OE1 no hydrogen 3.295 N/A GLN 61.A N SER 58.A OG no hydrogen 3.193 N/A HIS 62.A N SER 58.A O no hydrogen 3.118 N/A ALA 63.A N THR 59.A O no hydrogen 2.982 N/A GLN 64.A N ASN 60.A O no hydrogen 2.820 N/A GLN 64.A NE2 ASP 192.A OD1 no hydrogen 3.193 N/A ALA 65.A N GLN 61.A O no hydrogen 2.952 N/A SER 66.A N HIS 62.A O no hydrogen 2.719 N/A SER 66.A OG HIS 62.A O no hydrogen 2.756 N/A SER 67.A N ALA 63.A O no hydrogen 2.745 N/A PHE 68.A N GLN 64.A O no hydrogen 2.964 N/A ARG 71.A N GLU 188.A O no hydrogen 3.082 N/A ARG 71.A NH2 GLU 133.A OE1 no hydrogen 3.481 N/A MET 72.A N LEU 134.A O no hydrogen 2.736 N/A THR 73.A N LYS 186.A O no hydrogen 2.718 N/A THR 74.A N PHE 132.A O no hydrogen 2.871 N/A GLU 75.A N ASP 184.A O no hydrogen 2.822 N/A MET 76.A N HIS 130.A O no hydrogen 3.170 N/A LYS 77.A N ALA 181.A O no hydrogen 2.518 N/A LEU 79.A N VAL 179.A O no hydrogen 2.418 N/A SER 80.A N VAL 179.A O no hydrogen 2.983 N/A GLY 82.A N ASP 177.A O no hydrogen 2.628 N/A ILE 84.A N ILE 99.A O no hydrogen 3.058 N/A THR 85.A N GLY 170.A O no hydrogen 2.753 N/A TYR 87.A N VAL 168.A O no hydrogen 2.801 N/A TYR 87.A OH GLN 164.A OE1 no hydrogen 2.696 N/A ASN 90.A N GLN 93.A O no hydrogen 3.164 N/A THR 92.A N ASN 90.A OD1 no hydrogen 2.942 N/A THR 92.A OG1 ASN 90.A OD1 no hydrogen 3.374 N/A GLN 93.A N ASN 90.A O no hydrogen 3.056 N/A ARG 94.A N THR 160.A O no hydrogen 2.698 N/A ARG 94.A NH2 GLU 112.A OE2 no hydrogen 2.868 N/A ILE 98.A N GLU 110.A O no hydrogen 2.861 N/A ILE 99.A N ILE 84.A O no hydrogen 3.095 N/A SER 100.A N VAL 108.A O no hydrogen 3.496 N/A LEU 101.A N GLY 81.A O no hydrogen 3.295 N/A ASP 102.A N ASN 106.A O no hydrogen 2.991 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 3.316 N/A GLY 105.A N ASP 102.A O no hydrogen 2.668 N/A VAL 108.A N SER 100.A O no hydrogen 2.927 N/A VAL 109.A N THR 118.A O no hydrogen 2.684 N/A GLU 112.A N LEU 96.A O no hydrogen 3.212 N/A GLN 114.A N PHE 111.A O no hydrogen 3.007 N/A ARG 117.A NE GLU 110.A OE1 no hydrogen 3.246 N/A THR 118.A N VAL 109.A O no hydrogen 2.710 N/A LEU 120.A N LEU 107.A O no hydrogen 2.872 N/A ALA 121.A N LEU 107.A O no hydrogen 3.477 N/A ALA 125.A N THR 122.A O no hydrogen 3.392 N/A GLU 128.A N ALA 125.A O no hydrogen 2.755 N/A HIS 130.A N MET 76.A O no hydrogen 2.972 N/A LYS 131.A N ASP 149.A OD1 no hydrogen 3.055 N/A PHE 132.A N THR 74.A O no hydrogen 2.775 N/A GLU 133.A N TYR 147.A O no hydrogen 2.818 N/A LEU 134.A N MET 72.A O no hydrogen 2.816 N/A VAL 135.A N SER 145.A O no hydrogen 2.645 N/A PHE 136.A N TRP 70.A O no hydrogen 3.032 N/A LEU 137.A N SER 143.A O no hydrogen 3.126 N/A SER 140.A OG ASN 141.A OD1 no hydrogen 2.992 N/A SER 145.A N VAL 135.A O no hydrogen 2.718 N/A SER 145.A OG VAL 135.A O no hydrogen 3.349 N/A SER 145.A OG TYR 147.A OH no hydrogen 2.985 N/A PHE 146.A N ARG 154.A O no hydrogen 2.915 N/A TYR 147.A N GLU 133.A O no hydrogen 2.654 N/A TYR 147.A OH SER 145.A OG no hydrogen 2.985 N/A TYR 147.A OH LEU 747.A O no hydrogen 3.361 N/A PHE 148.A N LYS 151.A O no hydrogen 3.081 N/A ASP 149.A N LYS 131.A O no hydrogen 2.964 N/A LYS 151.A N PHE 148.A O no hydrogen 3.003 N/A ILE 153.A N PHE 146.A O no hydrogen 2.959 N/A ILE 157.A N ALA 144.A O no hydrogen 3.169 N/A GLN 158.A N GLN 114.A OE1 no hydrogen 3.161 N/A THR 160.A N ARG 94.A O no hydrogen 2.973 N/A THR 160.A OG1 GLU 112.A OE1 no hydrogen 3.316 N/A GLN 164.A N SER 162.A OG no hydrogen 2.576 N/A MET 166.A N ALA 89.A O no hydrogen 2.882 N/A ILE 167.A N TYR 55.A O no hydrogen 2.832 N/A VAL 168.A N TYR 87.A O no hydrogen 2.769 N/A TRP 169.A N TRP 53.A O no hydrogen 2.720 N/A GLY 170.A N ASN 86.A OD1 no hydrogen 3.330 N/A ASN 171.A N ALA 51.A O no hydrogen 2.596 N/A ASN 171.A ND2 SER 173.A O no hydrogen 2.843 N/A ASN 171.A ND2 THR 176.A O no hydrogen 3.521 N/A GLY 172.A N MET 83.A O no hydrogen 3.065 N/A SER 173.A OG ASN 175.A OD1 no hydrogen 3.329 N/A SER 174.A OG THR 26.A OG1 no hydrogen 2.866 N/A GLY 178.A N GLY 46.A O no hydrogen 2.927 N/A VAL 179.A N SER 80.A O no hydrogen 2.456 N/A ALA 180.A N VAL 44.A O no hydrogen 3.219 N/A ALA 181.A N LYS 77.A O no hydrogen 2.714 N/A TYR 182.A N TRP 42.A O no hydrogen 2.909 N/A TYR 182.A OH ASN 86.A OD1 no hydrogen 3.021 N/A ARG 183.A N GLU 75.A O no hydrogen 2.770 N/A ARG 183.A NH1 GLU 75.A OE1 no hydrogen 3.028 N/A ARG 183.A NH1 GLU 75.A OE2 no hydrogen 3.340 N/A ASP 184.A N GLU 75.A O no hydrogen 3.359 N/A ILE 185.A N TYR 5.A O no hydrogen 3.037 N/A LYS 186.A N THR 73.A O no hydrogen 2.592 N/A LYS 186.A NZ ASP 4.A OD2 no hydrogen 3.481 N/A PHE 187.A N PHE 3.A O no hydrogen 2.746 N/A GLU 188.A N ARG 71.A O no hydrogen 3.023 N/A ILE 189.A N ALA 1.A O no hydrogen 2.805 N/A GLN 190.A N GLY 69.A O no hydrogen 2.816 N/A GLN 190.A NE2 ARG 742.A O no hydrogen 3.389 N/A ILE 194.A N MET 738.A O no hydrogen 2.774 N/A PHE 195.A N MET 738.A O no hydrogen 3.342 N/A GLY 197.A N ASN 737.A OD1 no hydrogen 2.920 N/A ASP 199.A N ARG 196.A O no hydrogen 3.036 N/A ARG 200.A NE GLU 732.A OE2 no hydrogen 2.877 N/A ARG 200.A NH2 GLU 732.A OE1 no hydrogen 3.072 N/A ARG 200.A NH2 GLU 732.A OE2 no hydrogen 3.487 N/A ILE 201.A N GLU 732.A OE2 no hydrogen 3.118 N/A SER 203.A N PHE 217.A O no hydrogen 2.981 N/A SER 203.A OG PRO 269.A O no hydrogen 2.608 N/A ILE 204.A N ASP 718.A OD2 no hydrogen 2.959 N/A SER 207.A N VAL 213.A O no hydrogen 2.900 N/A SER 207.A OG TYR 273.A OH no hydrogen 3.064 N/A SER 207.A OG ASN 278.A OD1 no hydrogen 2.941 N/A VAL 209.A N TYR 273.A OH no hydrogen 3.386 N/A THR 210.A N SER 207.A OG no hydrogen 2.924 N/A VAL 213.A N THR 210.A O no hydrogen 3.132 N/A VAL 214.A N SER 241.A O no hydrogen 2.902 N/A THR 215.A N VAL 205.A O no hydrogen 2.911 N/A ALA 216.A N ARG 239.A O no hydrogen 2.924 N/A PHE 217.A N SER 203.A O no hydrogen 2.994 N/A ALA 218.A N ILE 237.A O no hydrogen 3.064 N/A GLU 219.A N ARG 200.A O no hydrogen 2.903 N/A LYS 220.A N ASP 235.A O no hydrogen 2.734 N/A LYS 220.A NZ ASP 199.A OD2 no hydrogen 3.106 N/A ARG 221.A N ASP 199.A OD1 no hydrogen 3.045 N/A ARG 221.A NE GLU 219.A OE1 no hydrogen 3.279 N/A ARG 221.A NH1 ASP 226.A OD1 no hydrogen 3.235 N/A ARG 221.A NH2 ASP 226.A OD1 no hydrogen 2.804 N/A VAL 222.A N THR 233.A O no hydrogen 3.070 N/A GLY 224.A N ARG 221.A O no hydrogen 3.079 N/A GLY 228.A N ASP 265.A OD2 no hydrogen 2.914 N/A ASN 232.A ND2 GLY 224.A O no hydrogen 3.437 N/A ASN 232.A ND2 ASP 226.A O no hydrogen 2.982 N/A THR 233.A N VAL 222.A O no hydrogen 3.136 N/A ASN 234.A N ASP 265.A OD1 no hydrogen 2.765 N/A ASN 234.A ND2 GLY 225.A O no hydrogen 2.954 N/A ASP 235.A N LYS 220.A O no hydrogen 2.723 N/A ILE 236.A N THR 255.A OG1 no hydrogen 2.471 N/A ILE 237.A N ALA 218.A O no hydrogen 2.922 N/A THR 238.A N LEU 252.A O no hydrogen 2.952 N/A THR 238.A OG1 LEU 252.A O no hydrogen 3.168 N/A ARG 239.A N ALA 216.A O no hydrogen 2.881 N/A ARG 239.A NE ASP 249.A O no hydrogen 2.865 N/A ARG 239.A NH2 ASP 249.A O no hydrogen 3.017 N/A THR 240.A N ASP 249.A OD1 no hydrogen 2.855 N/A THR 240.A OG1 ASP 249.A OD1 no hydrogen 2.726 N/A SER 241.A N VAL 214.A O no hydrogen 3.102 N/A SER 241.A OG ASP 243.A OD1 no hydrogen 3.264 N/A ARG 242.A NH1 VAL 313.A O no hydrogen 3.315 N/A ARG 242.A NH2 VAL 313.A O no hydrogen 3.151 N/A GLY 244.A N GLY 212.A O no hydrogen 3.101 N/A ILE 246.A N ASP 243.A OD1 no hydrogen 2.576 N/A THR 247.A N ASP 243.A OD1 no hydrogen 2.823 N/A THR 247.A N ASP 243.A OD2 no hydrogen 3.146 N/A THR 247.A OG1 ASP 243.A OD2 no hydrogen 2.643 N/A ASP 249.A N THR 240.A O no hydrogen 2.897 N/A LEU 252.A N THR 238.A O no hydrogen 2.777 N/A ASN 253.A ND2 ASP 235.A OD2 no hydrogen 3.398 N/A LEU 254.A N ILE 236.A O no hydrogen 3.075 N/A THR 255.A N ASN 253.A OD1 no hydrogen 2.953 N/A THR 255.A OG1 ILE 236.A O no hydrogen 3.299 N/A THR 255.A OG1 ASN 253.A OD1 no hydrogen 3.392 N/A GLU 256.A N ASN 253.A OD1 no hydrogen 3.050 N/A ASN 259.A N THR 255.A O no hydrogen 2.819 N/A ASN 259.A ND2 PHE 264.A O no hydrogen 2.852 N/A ASP 262.A N ASN 259.A O no hydrogen 3.229 N/A PHE 264.A N ASN 259.A OD1 no hydrogen 2.858 N/A ASP 265.A N TRP 287.A O no hydrogen 2.965 N/A PHE 266.A N ASN 234.A O no hydrogen 2.799 N/A SER 267.A N ALA 285.A O no hydrogen 2.701 N/A SER 267.A OG ASP 268.A OD1 no hydrogen 3.081 N/A SER 267.A OG ASN 521.A OD1 no hydrogen 3.545 N/A ASP 268.A N GLU 219.A OE2 no hydrogen 2.690 N/A ARG 270.A N SER 283.A O no hydrogen 2.644 N/A ARG 270.A NE HIS 526.A O no hydrogen 2.892 N/A ARG 270.A NH1 PRO 522.A O no hydrogen 3.416 N/A ARG 270.A NH1 ALA 596.A O no hydrogen 3.170 N/A ARG 270.A NH2 HIS 526.A O no hydrogen 3.333 N/A ARG 270.A NH2 ALA 596.A O no hydrogen 3.128 N/A ILE 272.A N LEU 281.A O no hydrogen 2.693 N/A TYR 273.A OH SER 207.A OG no hydrogen 3.064 N/A TYR 273.A OH ASN 278.A OD1 no hydrogen 2.522 N/A ASP 274.A N THR 279.A O no hydrogen 2.642 N/A SER 277.A OG ASP 274.A OD2 no hydrogen 2.409 N/A SER 277.A OG THR 279.A OG1 no hydrogen 3.307 N/A ASN 278.A ND2 THR 210.A OG1 no hydrogen 3.212 N/A THR 279.A N ASP 274.A O no hydrogen 3.045 N/A THR 279.A OG1 SER 277.A OG no hydrogen 3.307 N/A VAL 280.A N TYR 311.A O no hydrogen 3.237 N/A LEU 281.A N ILE 272.A O no hydrogen 2.701 N/A VAL 282.A N SER 309.A O no hydrogen 2.809 N/A SER 283.A N ARG 270.A O no hydrogen 2.805 N/A TYR 284.A N PHE 307.A O no hydrogen 3.025 N/A TYR 284.A OH SER 309.A OG no hydrogen 3.420 N/A ALA 285.A N SER 267.A O no hydrogen 2.901 N/A ARG 286.A N GLY 305.A O no hydrogen 2.716 N/A ARG 286.A NE PRO 303.A O no hydrogen 2.788 N/A TRP 287.A N ASP 265.A O no hydrogen 3.029 N/A TRP 287.A NE1 SER 267.A OG no hydrogen 2.855 N/A THR 289.A N GLU 263.A O no hydrogen 2.861 N/A THR 289.A OG1 ASP 265.A OD1 no hydrogen 3.431 N/A ALA 291.A N PRO 288.A O no hydrogen 3.346 N/A ASP 296.A N GLN 293.A O no hydrogen 2.636 N/A ARG 297.A N ASN 294.A O no hydrogen 3.336 N/A ARG 297.A NH1 ASP 290.A O no hydrogen 2.981 N/A ARG 297.A NH2 GLY 228.A O no hydrogen 3.298 N/A ARG 297.A NH2 ASP 290.A O no hydrogen 2.980 N/A LYS 299.A NZ ASP 296.A O no hydrogen 2.802 N/A MET 302.A N LYS 299.A O no hydrogen 2.859 N/A ASN 304.A ND2 VAL 520.A O no hydrogen 3.664 N/A GLY 305.A N ARG 286.A O no hydrogen 3.054 N/A PHE 307.A N TYR 284.A O no hydrogen 2.960 N/A TYR 308.A N ILE 322.A O no hydrogen 2.873 N/A SER 309.A N VAL 282.A O no hydrogen 2.919 N/A SER 309.A OG TYR 284.A OH no hydrogen 3.420 N/A TYR 311.A N VAL 280.A O no hydrogen 2.973 N/A ASP 312.A N ASN 317.A O no hydrogen 2.706 N/A SER 315.A N ASP 312.A OD2 no hydrogen 3.009 N/A SER 315.A OG ASP 312.A OD2 no hydrogen 2.266 N/A ASN 317.A ND2 SER 315.A OG no hydrogen 2.926 N/A GLN 319.A N VAL 310.A O no hydrogen 3.055 N/A ILE 322.A N TYR 308.A O no hydrogen 2.707 N/A VAL 324.A N ILE 306.A O no hydrogen 3.033 N/A THR 325.A N ASP 323.A OD1 no hydrogen 2.715 N/A THR 325.A OG1 ASP 323.A OD1 no hydrogen 3.415 N/A GLN 327.A NE2 SER 568.A O no hydrogen 3.491 N/A VAL 328.A N THR 325.A O no hydrogen 2.961 N/A LYS 329.A N THR 325.A O no hydrogen 2.619 N/A LYS 329.A NZ ASN 304.A O no hydrogen 3.061 N/A ARG 331.A NE PHE 485.A O no hydrogen 3.085 N/A ARG 331.A NH2 PHE 485.A O no hydrogen 3.080 N/A SER 332.A OG GLU 330.A OE2 no hydrogen 2.508 N/A PHE 333.A N VAL 467.A O no hydrogen 2.639 N/A GLN 334.A N LEU 514.A O no hydrogen 2.636 N/A GLN 334.A NE2 SER 332.A OG no hydrogen 3.202 N/A GLN 334.A NE2 ASN 517.A OD1 no hydrogen 3.582 N/A ILE 335.A N LEU 465.A O no hydrogen 2.657 N/A ALA 336.A N MET 512.A O no hydrogen 2.781 N/A GLY 337.A N GLY 463.A O no hydrogen 2.818 N/A GLY 339.A N ASP 462.A OD1 no hydrogen 2.593 N/A SER 341.A N THR 508.A O no hydrogen 2.833 N/A SER 341.A OG THR 508.A OG1 no hydrogen 2.779 N/A LEU 343.A N ILE 506.A O no hydrogen 2.738 N/A TYR 344.A N PHE 454.A O no hydrogen 2.970 N/A TYR 344.A OH GLU 342.A OE1 no hydrogen 3.235 N/A ARG 345.A N THR 504.A O no hydrogen 2.920 N/A ARG 346.A N ILE 452.A O no hydrogen 2.984 N/A THR 348.A N ASN 450.A O no hydrogen 2.971 N/A SER 352.A OG SER 378.A OG no hydrogen 2.677 N/A GLN 353.A N ASN 351.A OD1 no hydrogen 3.213 N/A GLN 354.A N ASN 351.A O no hydrogen 2.689 N/A GLN 354.A NE2 GLN 475.A OE1 no hydrogen 3.570 N/A TRP 356.A N TYR 423.A O no hydrogen 3.424 N/A TRP 356.A NE1 ASP 376.A OD2 no hydrogen 2.866 N/A GLN 357.A N THR 473.A O no hydrogen 2.891 N/A SER 358.A N LEU 421.A O no hydrogen 2.879 N/A ASN 359.A N VAL 471.A O no hydrogen 3.128 N/A ALA 360.A N TYR 419.A O no hydrogen 2.908 N/A LYS 361.A N LYS 469.A O no hydrogen 2.918 N/A LYS 361.A NZ GLN 468.A OE1 no hydrogen 2.402 N/A ILE 362.A N HIS 417.A O no hydrogen 3.254 N/A ARG 363.A N HIS 466.A O no hydrogen 3.393 N/A ALA 368.A N ASP 462.A O no hydrogen 3.128 N/A ASN 370.A N LEU 385.A O no hydrogen 3.347 N/A ASN 370.A ND2 ASN 456.A OD1 no hydrogen 3.643 N/A GLN 371.A N GLY 455.A O no hydrogen 2.671 N/A GLN 371.A NE2 ALA 369.A O no hydrogen 2.974 N/A ILE 372.A N VAL 383.A O no hydrogen 2.981 N/A GLN 373.A N GLN 453.A O no hydrogen 2.704 N/A VAL 374.A N TYR 381.A O no hydrogen 2.867 N/A ALA 375.A N ASN 451.A O no hydrogen 2.674 N/A ASP 376.A N ARG 379.A O no hydrogen 3.179 N/A GLY 377.A N GLU 449.A O no hydrogen 2.356 N/A SER 378.A OG ASP 376.A OD1 no hydrogen 3.568 N/A ARG 379.A N ASP 376.A OD1 no hydrogen 3.026 N/A LYS 380.A N GLU 445.A O no hydrogen 2.641 N/A LYS 380.A NZ GLU 449.A OE1 no hydrogen 2.275 N/A TYR 381.A N VAL 374.A O no hydrogen 2.743 N/A VAL 382.A N ASN 398.A OD1 no hydrogen 3.074 N/A VAL 383.A N ILE 372.A O no hydrogen 2.855 N/A THR 384.A N ASN 396.A O no hydrogen 2.600 N/A LEU 385.A N ASN 370.A O no hydrogen 2.849 N/A SER 386.A N VAL 394.A O no hydrogen 2.967 N/A ILE 387.A N GLY 367.A O no hydrogen 2.596 N/A ASP 388.A N GLY 392.A O no hydrogen 2.710 N/A SER 390.A N ASP 388.A OD1 no hydrogen 3.154 N/A SER 390.A OG ASP 388.A OD1 no hydrogen 2.988 N/A GLY 391.A N ASP 388.A O no hydrogen 2.904 N/A LEU 393.A N GLN 407.A O no hydrogen 3.074 N/A VAL 394.A N SER 386.A O no hydrogen 2.765 N/A ALA 395.A N ILE 404.A O no hydrogen 3.072 N/A ASN 396.A N THR 384.A O no hydrogen 2.740 N/A ASN 398.A N VAL 382.A O no hydrogen 2.974 N/A ASN 398.A ND2 LYS 380.A O no hydrogen 2.862 N/A ASN 398.A ND2 GLU 445.A OE1 no hydrogen 3.499 N/A ILE 404.A N ALA 395.A O no hydrogen 2.997 N/A LEU 406.A N LEU 393.A O no hydrogen 2.577 N/A GLN 407.A N LEU 393.A O no hydrogen 3.160 N/A LYS 412.A N GLU 409.A O no hydrogen 2.488 N/A LYS 412.A NZ GLU 409.A OE1 no hydrogen 3.104 N/A LYS 412.A NZ GLU 409.A OE2 no hydrogen 3.170 N/A VAL 413.A N GLU 409.A O no hydrogen 2.891 N/A SER 415.A N LYS 412.A O no hydrogen 3.104 N/A SER 415.A OG PHE 416.A O no hydrogen 3.389 N/A HIS 417.A N ILE 362.A O no hydrogen 3.016 N/A ASP 418.A N ASP 435.A OD1 no hydrogen 2.603 N/A TYR 419.A N ALA 360.A O no hydrogen 2.964 N/A GLU 420.A N PHE 433.A O no hydrogen 3.109 N/A LEU 421.A N SER 358.A O no hydrogen 2.922 N/A GLN 422.A N THR 431.A O no hydrogen 2.756 N/A GLN 422.A NE2 TRP 356.A O no hydrogen 3.231 N/A TYR 423.A N TRP 356.A O no hydrogen 2.868 N/A TYR 423.A OH SER 352.A O no hydrogen 3.050 N/A SER 424.A N THR 429.A O no hydrogen 2.764 N/A ALA 425.A N ASP 355.A OD1 no hydrogen 2.566 N/A HIS 428.A N ALA 425.A O no hydrogen 2.707 N/A THR 429.A N SER 424.A O no hydrogen 3.170 N/A THR 429.A OG1 ASN 427.A OD1 no hydrogen 2.351 N/A THR 430.A N TRP 442.A O no hydrogen 2.891 N/A THR 431.A N GLN 422.A O no hydrogen 2.852 N/A THR 431.A OG1 THR 441.A OG1 no hydrogen 2.684 N/A LEU 432.A N THR 440.A O no hydrogen 3.133 N/A PHE 433.A N GLU 420.A O no hydrogen 2.954 N/A VAL 434.A N GLN 437.A O no hydrogen 2.834 N/A ASP 435.A N ASP 418.A O no hydrogen 2.895 N/A GLN 437.A N VAL 434.A O no hydrogen 3.018 N/A ILE 439.A N LEU 432.A O no hydrogen 2.641 N/A THR 441.A OG1 THR 431.A OG1 no hydrogen 2.684 N/A TRP 442.A N THR 430.A O no hydrogen 2.760 N/A TRP 442.A NE1 ASN 398.A OD1 no hydrogen 3.066 N/A SER 447.A N SER 378.A O no hydrogen 2.608 N/A ASN 450.A ND2 THR 348.A OG1 no hydrogen 2.807 N/A ASN 451.A N ALA 375.A O no hydrogen 2.397 N/A ILE 452.A N ARG 346.A O no hydrogen 3.124 N/A GLN 453.A N GLN 373.A O no hydrogen 2.816 N/A PHE 454.A N TYR 344.A O no hydrogen 3.087 N/A GLY 455.A N GLN 371.A O no hydrogen 3.111 N/A ASN 456.A N GLU 342.A O no hydrogen 2.664 N/A ASN 456.A ND2 ASP 458.A O no hydrogen 3.200 N/A ALA 457.A N ALA 369.A O no hydrogen 3.136 N/A GLN 460.A N ASP 458.A OD1 no hydrogen 3.138 N/A ARG 464.A N ASP 366.A O no hydrogen 3.277 N/A ARG 464.A NH2 GLN 334.A OE1 no hydrogen 3.008 N/A ARG 464.A NH2 ASP 552.A OD2 no hydrogen 3.411 N/A LEU 465.A N ILE 335.A O no hydrogen 2.800 N/A HIS 466.A N ARG 363.A O no hydrogen 3.263 N/A VAL 467.A N PHE 333.A O no hydrogen 2.549 N/A GLN 468.A N LYS 361.A O no hydrogen 3.207 N/A GLN 468.A NE2 ARG 331.A O no hydrogen 3.390 N/A ILE 470.A N PHE 482.A O no hydrogen 2.543 N/A VAL 471.A N ASN 359.A O no hydrogen 2.913 N/A LEU 472.A N VAL 480.A O no hydrogen 2.688 N/A THR 473.A N GLN 357.A O no hydrogen 3.077 N/A THR 473.A OG1 HIS 477.A O no hydrogen 2.661 N/A GLN 474.A N HIS 477.A O no hydrogen 2.999 N/A HIS 477.A N GLN 474.A O no hydrogen 2.981 N/A LEU 479.A N LEU 472.A O no hydrogen 2.487 N/A VAL 480.A N LEU 472.A O no hydrogen 3.035 N/A PHE 482.A N ILE 470.A O no hydrogen 2.627 N/A PHE 485.A N GLN 468.A O no hydrogen 3.161 N/A TYR 486.A N ASP 483.A OD1 no hydrogen 3.263 N/A LEU 487.A N ASP 483.A O no hydrogen 3.463 N/A ALA 488.A N ALA 484.A O no hydrogen 2.907 N/A GLN 490.A N LEU 487.A O no hydrogen 2.635 N/A GLN 490.A NE2 TYR 486.A O no hydrogen 2.950 N/A THR 491.A OG1 GLU 493.A OE1 no hydrogen 2.970 N/A VAL 494.A N THR 491.A O no hydrogen 2.936 N/A LYS 496.A NZ GLN 490.A O no hydrogen 3.175 N/A ASP 497.A N GLU 495.A OE2 no hydrogen 2.585 N/A LYS 500.A N ASP 497.A OD2 no hydrogen 3.362 N/A LEU 501.A N ASP 497.A O no hydrogen 2.812 N/A LEU 501.A N LEU 498.A O no hydrogen 2.666 N/A GLY 502.A N GLU 499.A O no hydrogen 3.014 N/A TRP 503.A N LEU 498.A O no hydrogen 3.252 N/A THR 504.A N ARG 345.A O no hydrogen 2.633 N/A ILE 506.A N LEU 343.A O no hydrogen 2.637 N/A LYS 507.A NZ THR 511.A O no hydrogen 3.518 N/A LYS 507.A NZ THR 511.A OG1 no hydrogen 3.162 N/A THR 508.A N SER 341.A O no hydrogen 2.927 N/A THR 508.A N SER 341.A OG no hydrogen 3.390 N/A THR 508.A OG1 SER 341.A OG no hydrogen 2.779 N/A ASN 510.A N GLY 339.A O no hydrogen 2.952 N/A THR 511.A OG1 GLU 342.A OE2 no hydrogen 2.473 N/A LEU 514.A N GLN 334.A O no hydrogen 2.898 N/A TYR 515.A OH LYS 496.A O no hydrogen 2.557 N/A ALA 518.A N LEU 551.A O no hydrogen 3.059 N/A ALA 518.A N ASP 552.A O no hydrogen 3.008 N/A SER 519.A N LEU 551.A O no hydrogen 3.175 N/A ASN 521.A N ILE 549.A O no hydrogen 2.864 N/A ASN 521.A ND2 ASP 268.A OD1 no hydrogen 3.267 N/A HIS 526.A ND1 GLY 527.A O no hydrogen 3.213 N/A GLY 527.A N PRO 271.A O no hydrogen 2.779 N/A ILE 528.A N ILE 545.A O no hydrogen 3.094 N/A THR 529.A OG1 TYR 273.A O no hydrogen 2.981 N/A LEU 530.A N ARG 543.A O no hydrogen 2.857 N/A THR 531.A N GLU 600.A OE1 no hydrogen 2.799 N/A THR 531.A N GLU 600.A OE2 no hydrogen 3.271 N/A THR 531.A OG1 GLU 600.A OE1 no hydrogen 3.103 N/A ARG 532.A N GLU 600.A OE2 no hydrogen 2.876 N/A GLN 533.A N ASN 541.A OD1 no hydrogen 2.852 N/A GLN 533.A NE2 GLY 604.A O no hydrogen 3.061 N/A ILE 536.A N GLN 533.A O no hydrogen 3.051 N/A SER 539.A OG GLN 533.A OE1 no hydrogen 3.175 N/A GLY 542.A N LEU 530.A O no hydrogen 2.784 N/A ARG 543.A NE ASP 564.A OD1 no hydrogen 2.351 N/A ARG 543.A NH1 GLY 634.A O no hydrogen 3.229 N/A LEU 544.A N SER 563.A O no hydrogen 2.878 N/A ILE 545.A N ILE 528.A O no hydrogen 3.193 N/A ALA 548.A N MET 559.A O no hydrogen 2.717 N/A ILE 549.A N ASN 521.A O no hydrogen 2.475 N/A VAL 550.A N ASN 557.A O no hydrogen 2.783 N/A LEU 551.A N SER 519.A O no hydrogen 2.982 N/A ASP 552.A N PHE 555.A O no hydrogen 3.187 N/A ARG 553.A N ASP 552.A OD1 no hydrogen 2.431 N/A PHE 554.A N ASP 552.A OD1 no hydrogen 3.215 N/A PHE 555.A N ASP 552.A OD1 no hydrogen 3.092 N/A LEU 556.A N GLU 592.A OE1 no hydrogen 3.047 N/A ASN 557.A N VAL 550.A O no hydrogen 3.126 N/A ASN 557.A ND2 LEU 576.A O no hydrogen 2.818 N/A VAL 558.A N ASN 557.A OD1 no hydrogen 2.461 N/A MET 559.A N ALA 548.A O no hydrogen 2.917 N/A SER 560.A OG GLY 635.A O no hydrogen 2.872 N/A ILE 561.A N TYR 546.A O no hydrogen 3.183 N/A TYR 562.A N GLN 571.A O no hydrogen 3.059 N/A SER 563.A N LEU 544.A O no hydrogen 2.928 N/A SER 563.A OG ASN 569.A O no hydrogen 3.019 N/A SER 568.A OG ASP 565.A OD2 no hydrogen 3.281 N/A ASN 569.A ND2 ASP 565.A OD2 no hydrogen 2.419 N/A TRP 570.A N GLN 327.A OE1 no hydrogen 2.328 N/A GLN 571.A N TYR 562.A O no hydrogen 2.577 N/A GLY 573.A N SER 560.A O no hydrogen 2.899 N/A SER 574.A N ILE 636.A O no hydrogen 2.977 N/A LEU 576.A N ASN 557.A OD1 no hydrogen 3.216 N/A LEU 576.A N VAL 558.A O no hydrogen 3.244 N/A ARG 581.A N GLU 589.A O no hydrogen 2.910 N/A ARG 581.A NE GLU 589.A OE1 no hydrogen 2.708 N/A ARG 581.A NH2 GLU 589.A OE1 no hydrogen 2.852 N/A ARG 581.A NH2 GLU 589.A OE2 no hydrogen 3.326 N/A LYS 583.A N ILE 587.A O no hydrogen 2.805 N/A SER 584.A OG SER 585.A O no hydrogen 3.491 N/A ILE 587.A N SER 584.A O no hydrogen 3.060 N/A GLU 589.A N ARG 581.A O no hydrogen 2.625 N/A SER 594.A N ARG 611.A O no hydrogen 2.640 N/A SER 594.A OG ARG 611.A O no hydrogen 3.258 N/A SER 594.A OG ASP 613.A OD2 no hydrogen 2.547 N/A ASP 597.A N THR 609.A O no hydrogen 2.855 N/A VAL 599.A N LEU 607.A O no hydrogen 3.002 N/A LEU 601.A N ASP 605.A O no hydrogen 2.888 N/A GLN 602.A N GLU 699.A OE2 no hydrogen 2.807 N/A ASN 603.A ND2 ASP 605.A OD2 no hydrogen 2.709 N/A GLY 604.A N LEU 601.A O no hydrogen 2.935 N/A ASP 605.A N ASN 603.A OD1 no hydrogen 2.818 N/A LEU 606.A N SER 631.A O no hydrogen 2.667 N/A LEU 607.A N VAL 599.A O no hydrogen 3.128 N/A LEU 608.A N PHE 629.A O no hydrogen 2.774 N/A THR 609.A N ASP 597.A O no hydrogen 2.791 N/A THR 609.A OG1 ASP 597.A O no hydrogen 3.257 N/A ALA 610.A N GLN 627.A O no hydrogen 2.830 N/A ARG 611.A N GLU 595.A O no hydrogen 2.607 N/A ARG 611.A NE ASP 613.A OD1 no hydrogen 2.913 N/A ARG 611.A NH1 GLU 595.A OE1 no hydrogen 2.436 N/A ARG 611.A NH1 TYR 716.A OH no hydrogen 2.707 N/A LEU 612.A N PRO 625.A O no hydrogen 2.933 N/A ASP 613.A N GLU 592.A O no hydrogen 3.113 N/A ASN 615.A ND2 THR 590.A O no hydrogen 3.262 N/A ASN 615.A ND2 ILE 617.A O no hydrogen 3.390 N/A GLN 616.A NE2 LEU 612.A O no hydrogen 3.383 N/A ILE 617.A N ASN 615.A OD1 no hydrogen 3.475 N/A VAL 618.A N VAL 621.A O no hydrogen 3.201 N/A ASN 619.A N GLU 589.A OE1 no hydrogen 3.039 N/A VAL 621.A N VAL 618.A O no hydrogen 3.058 N/A TYR 623.A N GLN 616.A O no hydrogen 2.463 N/A ARG 626.A N SER 624.A OG no hydrogen 3.055 N/A ARG 626.A NH2 VAL 657.A O no hydrogen 2.685 N/A GLN 627.A N ALA 610.A O no hydrogen 2.952 N/A GLN 628.A N ASN 644.A O no hydrogen 2.856 N/A PHE 629.A N LEU 608.A O no hydrogen 2.823 N/A LEU 630.A N SER 639.A O no hydrogen 2.798 N/A SER 631.A N LEU 606.A O no hydrogen 2.858 N/A SER 631.A OG ASP 633.A OD1 no hydrogen 3.202 N/A SER 631.A OG THR 637.A O no hydrogen 3.096 N/A GLY 635.A N SER 631.A OG no hydrogen 2.734 N/A ILE 636.A N ASP 633.A OD1 no hydrogen 3.160 N/A THR 637.A N ASP 633.A OD1 no hydrogen 3.133 N/A SER 639.A N LEU 630.A O no hydrogen 2.767 N/A SER 639.A OG LEU 630.A O no hydrogen 3.251 N/A LEU 641.A N GLN 628.A O no hydrogen 3.039 N/A ASN 644.A N LEU 641.A O no hydrogen 2.895 N/A ALA 646.A N SER 624.A OG no hydrogen 2.600 N/A ALA 646.A N ARG 626.A O no hydrogen 3.027 N/A ASN 647.A N ASN 645.A OD1 no hydrogen 3.271 N/A ASN 647.A ND2 ASN 645.A OD1 no hydrogen 2.949 N/A VAL 648.A N ASN 645.A O no hydrogen 2.848 N/A PHE 649.A N ALA 646.A O no hydrogen 2.739 N/A ILE 652.A N PHE 649.A O no hydrogen 3.177 N/A SER 653.A N PRO 678.A O no hydrogen 3.122 N/A SER 653.A OG THR 685.A O no hydrogen 2.793 N/A SER 653.A OG GLY 687.A O no hydrogen 3.488 N/A THR 654.A N THR 685.A O no hydrogen 2.929 N/A GLY 655.A N SER 653.A OG no hydrogen 3.101 N/A SER 660.A N THR 676.A O no hydrogen 3.145 N/A SER 660.A OG ASP 718.A OD1 no hydrogen 2.405 N/A THR 662.A N LEU 674.A O no hydrogen 2.904 N/A THR 662.A OG1 ILE 719.A O no hydrogen 2.671 N/A PHE 664.A N PHE 672.A O no hydrogen 2.571 N/A GLU 665.A N GLN 721.A OE1 no hydrogen 2.802 N/A GLN 666.A N SER 670.A O no hydrogen 2.693 N/A GLY 669.A N GLN 666.A O no hydrogen 2.676 N/A SER 670.A N ASP 668.A OD1 no hydrogen 3.378 N/A SER 670.A OG ASP 668.A OD2 no hydrogen 3.288 N/A PHE 672.A N PHE 664.A O no hydrogen 3.028 N/A LEU 673.A N SER 696.A O no hydrogen 3.373 N/A LEU 674.A N THR 662.A O no hydrogen 2.904 N/A PHE 675.A N TRP 694.A O no hydrogen 2.892 N/A THR 676.A N SER 660.A O no hydrogen 3.025 N/A THR 676.A OG1 SER 717.A OG no hydrogen 2.626 N/A ASN 677.A N GLY 692.A O no hydrogen 3.482 N/A ASN 677.A ND2 PRO 678.A O no hydrogen 2.788 N/A GLN 679.A N GLN 689.A O no hydrogen 3.035 N/A GLN 679.A NE2 ASN 690.A O no hydrogen 2.723 N/A GLY 680.A N GLN 689.A O no hydrogen 2.873 N/A THR 685.A N GLN 679.A O no hydrogen 3.068 N/A THR 685.A OG1 PRO 682.A O no hydrogen 2.589 N/A THR 685.A OG1 ALA 683.A O no hydrogen 3.220 N/A ASN 686.A ND2 THR 654.A O no hydrogen 3.551 N/A ARG 688.A NH2 THR 656.A O no hydrogen 3.220 N/A GLN 689.A N GLY 687.A O no hydrogen 2.868 N/A ASN 690.A N GLY 712.A O no hydrogen 2.835 N/A LEU 691.A N SER 714.A OG no hydrogen 2.599 N/A GLY 692.A N ASN 677.A O no hydrogen 2.745 N/A LEU 693.A N ILE 707.A O no hydrogen 2.973 N/A TRP 694.A N PHE 675.A O no hydrogen 2.904 N/A TRP 694.A NE1 SER 650.A O no hydrogen 2.938 N/A SER 696.A N LEU 673.A O no hydrogen 3.187 N/A SER 696.A OG ASP 698.A OD1 no hydrogen 3.331 N/A SER 696.A OG THR 702.A O no hydrogen 2.806 N/A GLY 700.A N SER 696.A OG no hydrogen 2.818 N/A VAL 701.A N ASP 698.A OD1 no hydrogen 2.985 N/A THR 702.A N ASP 698.A OD1 no hydrogen 2.882 N/A THR 702.A OG1 ASP 698.A OD1 no hydrogen 3.456 N/A THR 702.A OG1 ASP 698.A OD2 no hydrogen 2.602 N/A LYS 704.A N PHE 695.A O no hydrogen 2.819 N/A ILE 707.A N LEU 693.A O no hydrogen 3.075 N/A GLN 708.A NE2 VAL 710.A O no hydrogen 2.426 N/A LEU 709.A N LEU 691.A O no hydrogen 2.980 N/A ASN 711.A N SER 67.A O no hydrogen 2.819 N/A GLY 712.A N ASN 690.A OD1 no hydrogen 3.000 N/A SER 714.A N ARG 688.A O no hydrogen 2.809 N/A ALA 715.A N GLU 732.A O no hydrogen 2.867 N/A TYR 716.A N GLU 732.A OE1 no hydrogen 2.977 N/A TYR 716.A OH GLU 595.A OE2 no hydrogen 3.056 N/A SER 717.A OG THR 676.A OG1 no hydrogen 2.626 N/A ASP 718.A N ILE 730.A O no hydrogen 2.892 N/A ILE 719.A N SER 660.A OG no hydrogen 3.179 N/A TYR 720.A N ILE 728.A O no hydrogen 3.332 N/A GLN 721.A NE2 GLU 665.A O no hydrogen 3.059 N/A GLN 721.A NE2 ASP 723.A O no hydrogen 3.014 N/A LEU 722.A N ASN 726.A O no hydrogen 2.630 N/A ASP 723.A N ASN 726.A O no hydrogen 3.200 N/A GLU 725.A N ASP 723.A OD1 no hydrogen 3.028 N/A ASN 726.A N ASP 723.A O no hydrogen 2.819 N/A ASN 726.A N ASP 723.A OD1 no hydrogen 2.969 N/A ASN 726.A ND2 MET 743.A O no hydrogen 2.845 N/A ALA 727.A N MET 743.A O no hydrogen 2.851 N/A ILE 728.A N TYR 720.A O no hydrogen 3.027 N/A VAL 729.A N LEU 741.A O no hydrogen 2.542 N/A ILE 730.A N ASP 718.A O no hydrogen 3.059 N/A VAL 731.A N ARG 739.A O no hydrogen 3.044 N/A GLU 732.A N TYR 716.A O no hydrogen 3.266 N/A THR 733.A N ASN 737.A O no hydrogen 2.742 N/A THR 733.A OG1 ASP 734.A OD1 no hydrogen 3.116 N/A THR 733.A OG1 ASN 737.A O no hydrogen 3.317 N/A SER 736.A N THR 733.A O no hydrogen 3.089 N/A ASN 737.A N ASP 734.A O no hydrogen 2.762 N/A ASN 737.A ND2 ASP 734.A OD1 no hydrogen 3.472 N/A ASN 737.A ND2 ASP 734.A OD2 no hydrogen 3.548 N/A MET 738.A N PHE 195.A O no hydrogen 2.560 N/A ARG 739.A N VAL 731.A O no hydrogen 2.783 N/A ARG 739.A NE THR 733.A OG1 no hydrogen 3.189 N/A ARG 739.A NE ASP 734.A OD1 no hydrogen 3.355 N/A ARG 739.A NH1 GLY 191.A O no hydrogen 2.966 N/A ARG 739.A NH2 ASP 734.A OD1 no hydrogen 3.127 N/A ILE 740.A N ASP 192.A O no hydrogen 2.907 N/A LEU 741.A N VAL 729.A O no hydrogen 2.606 N/A ARG 742.A N GLN 190.A OE1 no hydrogen 2.814 N/A MET 743.A N ALA 727.A O no hydrogen 2.854 N/A THR 746.A OG1 GLU 725.A OE1 no hydrogen 2.986 N/A LEU 748.A N PRO 744.A O no hydrogen 3.013 N/A LYS 749.A N ILE 745.A O no hydrogen 2.818 N/A GLN 750.A NE2 GLY 150.A O no hydrogen 3.327 N/A GLN 750.A NE2 THR 746.A O no hydrogen 3.450 N/A GLN 750.A NE2 LEU 747.A O no hydrogen 3.467 N/A LYS 751.A N LEU 748.A O no hydrogen 3.012 N/A LYS 751.A NZ ASP 155.A OD2 no hydrogen 2.836 N/A LEU 752.A N LYS 749.A O no hydrogen 2.777 N/A