Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4fnu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 VAL 34.A O no hydrogen 3.499 N/A PHE 3.A N MET 14.A O no hydrogen 2.937 N/A HIS 4.A NE2 SER 11.A OG no hydrogen 3.202 N/A LEU 5.A N TYR 12.A O no hydrogen 2.992 N/A ALA 7.A N ALA 10.A O no hydrogen 2.957 N/A LYS 9.A N ASN 148.A OD1 no hydrogen 2.651 N/A LYS 9.A NZ ASP 292.A OD1 no hydrogen 3.099 N/A LYS 9.A NZ ASP 292.A OD2 no hydrogen 2.778 N/A LYS 9.A NZ GLN 293.A OE1 no hydrogen 3.281 N/A ALA 10.A N ALA 7.A O no hydrogen 2.956 N/A SER 11.A N GLY 28.A O no hydrogen 2.809 N/A SER 11.A OG HIS 4.A NE2 no hydrogen 3.202 N/A TYR 12.A N LEU 5.A O no hydrogen 2.999 N/A TYR 12.A OH GLU 66.A OE1 no hydrogen 2.618 N/A TYR 12.A OH GLU 66.A OE2 no hydrogen 3.070 N/A VAL 13.A N TYR 26.A O no hydrogen 2.747 N/A MET 14.A N PHE 3.A O no hydrogen 2.705 N/A GLN 15.A N ALA 23.A O no hydrogen 3.046 N/A LEU 16.A N LYS 1.A O no hydrogen 2.921 N/A PHE 17.A N TYR 21.A O no hydrogen 2.835 N/A TYR 21.A N PHE 17.A O no hydrogen 3.104 N/A ALA 23.A N GLN 15.A O no hydrogen 2.937 N/A HIS 24.A N LEU 64.A O no hydrogen 2.830 N/A HIS 24.A ND1 GLU 66.A OE2 no hydrogen 2.790 N/A VAL 25.A N VAL 13.A O no hydrogen 3.229 N/A TYR 26.A N VAL 13.A O no hydrogen 3.468 N/A TYR 26.A OH LYS 29.A O no hydrogen 2.723 N/A GLY 28.A N SER 11.A O no hydrogen 3.158 N/A LYS 29.A NZ ASP 292.A OD2 no hydrogen 2.741 N/A ALA 30.A N LYS 9.A O no hydrogen 2.913 N/A VAL 31.A N SER 11.A OG no hydrogen 3.255 N/A ARG 38.A NH1 VAL 25.A O no hydrogen 3.331 N/A SER 48.A N ARG 45.A O no hydrogen 3.299 N/A ASN 50.A ND2 ARG 56.A O no hydrogen 2.897 N/A ASN 50.A ND2 PHE 58.A O no hydrogen 2.387 N/A SER 54.A N ASP 52.A OD1 no hydrogen 3.418 N/A SER 54.A OG ASP 52.A OD1 no hydrogen 3.011 N/A SER 54.A OG ASP 52.A OD2 no hydrogen 2.858 N/A ASP 55.A N ASP 52.A O no hydrogen 3.100 N/A THR 57.A N ASP 55.A OD1 no hydrogen 3.214 N/A THR 57.A OG1 ASP 55.A OD1 no hydrogen 2.491 N/A THR 57.A OG1 ASP 55.A OD2 no hydrogen 3.301 N/A PHE 58.A N ASP 55.A O no hydrogen 3.476 N/A SER 59.A OG PRO 49.A O no hydrogen 2.635 N/A LEU 60.A N THR 73.A OG1 no hydrogen 3.366 N/A ASP 61.A N SER 59.A OG no hydrogen 3.352 N/A THR 62.A N SER 59.A O no hydrogen 3.114 N/A THR 62.A OG1 SER 59.A O no hydrogen 3.056 N/A GLN 65.A N ASP 175.A OD2 no hydrogen 2.767 N/A TYR 67.A OH LEU 170.A O no hydrogen 2.628 N/A ASN 72.A ND2 ASP 92.A OD2 no hydrogen 3.293 N/A THR 73.A OG1 ASN 72.A O no hydrogen 2.348 N/A PHE 75.A N ASP 61.A OD1 no hydrogen 3.073 N/A ARG 76.A NH1 ASP 61.A O no hydrogen 2.296 N/A ALA 77.A N GLU 253.A OE1 no hydrogen 2.807 N/A ALA 79.A N PRO 68.A O no hydrogen 2.890 N/A TYR 80.A OH THR 91.A OG1 no hydrogen 2.803 N/A GLN 81.A N ARG 168.A O no hydrogen 3.040 N/A GLN 83.A N LYS 165.A O no hydrogen 2.659 N/A LEU 84.A N SER 88.A O no hydrogen 2.685 N/A GLY 87.A N LEU 84.A O no hydrogen 3.096 N/A SER 88.A N ASN 86.A OD1 no hydrogen 2.910 N/A SER 88.A OG ASN 86.A OD1 no hydrogen 2.462 N/A THR 91.A OG1 TYR 80.A OH no hydrogen 2.803 N/A ARG 94.A N GLY 129.A O no hydrogen 3.028 N/A ARG 94.A NH1 SER 19.A O no hydrogen 3.109 N/A TYR 95.A N GLY 20.A O no hydrogen 2.833 N/A TYR 95.A OH HIS 98.A ND1 no hydrogen 2.764 N/A LYS 96.A N VAL 127.A O no hydrogen 3.454 N/A THR 97.A OG1 HIS 98.A O no hydrogen 3.516 N/A HIS 98.A ND1 TYR 95.A OH no hydrogen 2.764 N/A ARG 99.A N GLU 125.A O no hydrogen 3.193 N/A ARG 99.A NE GLU 125.A OE1 no hydrogen 3.043 N/A ARG 99.A NH2 GLU 125.A OE1 no hydrogen 2.892 N/A TYR 101.A N THR 123.A O no hydrogen 3.170 N/A TYR 101.A OH GLU 125.A OE2 no hydrogen 2.427 N/A LYS 102.A NZ GLU 122.A OE1 no hydrogen 3.338 N/A GLY 103.A N ALA 121.A O no hydrogen 2.601 N/A LYS 104.A NZ THR 113.A O no hydrogen 2.222 N/A LYS 104.A NZ THR 113.A OG1 no hydrogen 2.793 N/A LYS 104.A NZ GLU 285.A OE1 no hydrogen 2.967 N/A LYS 104.A NZ GLU 285.A OE2 no hydrogen 2.890 N/A ARG 106.A NE TYR 530.A OH no hydrogen 3.105 N/A ARG 106.A NH2 TYR 530.A OH no hydrogen 3.150 N/A LEU 110.A N LEU 107.A O no hydrogen 3.141 N/A THR 113.A N GLU 285.A OE2 no hydrogen 2.978 N/A THR 113.A OG1 TYR 144.A OH no hydrogen 3.245 N/A THR 113.A OG1 GLU 285.A OE2 no hydrogen 2.599 N/A TYR 114.A N ARG 309.A O no hydrogen 2.985 N/A TYR 114.A OH ALA 311.A O no hydrogen 2.430 N/A GLU 116.A N GLU 120.A OE1 no hydrogen 3.225 N/A GLN 119.A N GLN 119.A OE1 no hydrogen 2.513 N/A GLU 120.A N HIS 117.A O no hydrogen 3.094 N/A GLU 122.A N ALA 143.A O no hydrogen 3.243 N/A THR 123.A N TYR 101.A O no hydrogen 2.844 N/A THR 123.A OG1 GLY 103.A O no hydrogen 2.331 N/A LEU 124.A N TYR 141.A O no hydrogen 2.566 N/A GLU 125.A N ARG 99.A O no hydrogen 3.130 N/A ILE 126.A N LEU 139.A O no hydrogen 2.835 N/A VAL 127.A N THR 97.A O no hydrogen 3.286 N/A LEU 128.A N VAL 137.A O no hydrogen 2.651 N/A GLY 129.A N ARG 94.A O no hydrogen 2.660 N/A ASP 130.A N LEU 135.A O no hydrogen 2.761 N/A LEU 135.A N ASP 130.A O no hydrogen 3.130 N/A GLU 136.A N GLU 157.A O no hydrogen 2.847 N/A VAL 137.A N LEU 128.A O no hydrogen 2.796 N/A THR 138.A N ARG 155.A O no hydrogen 2.749 N/A LEU 139.A N ILE 126.A O no hydrogen 2.725 N/A GLN 140.A N SER 153.A O no hydrogen 2.781 N/A GLN 140.A NE2 SER 153.A OG no hydrogen 2.542 N/A GLN 140.A NE2 GLN 282.A OE1 no hydrogen 3.429 N/A TYR 141.A N LEU 124.A O no hydrogen 2.723 N/A TYR 141.A OH GLU 66.A OE1 no hydrogen 3.003 N/A THR 142.A N THR 151.A O no hydrogen 3.345 N/A THR 142.A OG1 THR 151.A OG1 no hydrogen 3.334 N/A ALA 143.A N GLU 122.A O no hydrogen 2.890 N/A TYR 144.A N VAL 149.A O no hydrogen 3.465 N/A TYR 144.A OH TYR 114.A O no hydrogen 3.027 N/A GLU 145.A N GLU 120.A O no hydrogen 3.350 N/A TRP 147.A NE1 GLU 304.A OE1 no hydrogen 2.653 N/A ASN 148.A ND2 TYR 290.A O no hydrogen 3.182 N/A ILE 150.A N MET 288.A O no hydrogen 2.996 N/A THR 151.A N THR 142.A O no hydrogen 3.345 N/A THR 151.A OG1 GLU 285.A OE1 no hydrogen 3.227 N/A ARG 152.A N VAL 286.A O no hydrogen 3.081 N/A SER 153.A N GLN 140.A O no hydrogen 3.427 N/A ARG 155.A N THR 138.A O no hydrogen 2.700 N/A PHE 156.A N PHE 281.A O no hydrogen 2.701 N/A GLU 157.A N GLU 136.A O no hydrogen 2.787 N/A ASN 158.A N GLU 279.A O no hydrogen 3.256 N/A ASN 158.A ND2 GLU 162.A O no hydrogen 2.676 N/A ASN 158.A ND2 LEU 275.A O no hydrogen 2.731 N/A LYS 159.A N GLY 134.A O no hydrogen 2.859 N/A LYS 159.A NZ LYS 159.A O no hydrogen 2.770 N/A GLY 160.A N ASN 158.A OD1 no hydrogen 3.101 N/A ARG 163.A N GLU 85.A OE2 no hydrogen 2.964 N/A LEU 164.A N LEU 275.A O no hydrogen 3.133 N/A LYS 165.A N GLN 83.A O no hydrogen 3.186 N/A LEU 166.A N TRP 273.A O no hydrogen 2.603 N/A LEU 167.A N GLN 81.A O no hydrogen 2.695 N/A ARG 168.A N GLN 81.A O no hydrogen 3.168 N/A LEU 170.A N ALA 79.A O no hydrogen 3.094 N/A SER 171.A N MET 264.A O no hydrogen 2.693 N/A SER 171.A OG THR 283.A OG1 no hydrogen 3.139 N/A SER 171.A OG PRO 284.A O no hydrogen 2.761 N/A MET 172.A N MET 264.A O no hydrogen 3.072 N/A VAL 174.A N VAL 262.A O no hydrogen 2.959 N/A PHE 176.A N ALA 260.A O no hydrogen 2.923 N/A ASP 182.A N VAL 226.A O no hydrogen 2.828 N/A TRP 183.A N ARG 199.A O no hydrogen 2.938 N/A ILE 184.A N ALA 224.A O no hydrogen 2.760 N/A HIS 185.A N GLU 197.A O no hydrogen 3.406 N/A GLY 188.A N GLN 218.A O no hydrogen 3.000 N/A ALA 189.A N ARG 192.A O no hydrogen 3.135 N/A TRP 190.A NE1 ASP 539.A OD2 no hydrogen 3.083 N/A ARG 192.A N ALA 189.A O no hydrogen 3.107 N/A ARG 194.A NH2 GLY 521.A O no hydrogen 3.179 N/A TRP 195.A N PRO 187.A O no hydrogen 2.828 N/A GLU 197.A N HIS 185.A O no hydrogen 3.250 N/A ARG 198.A NH1 ALA 230.A O no hydrogen 2.857 N/A ARG 199.A N TRP 183.A O no hydrogen 3.231 N/A ARG 199.A NH1 ARG 198.A O no hydrogen 3.445 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.425 N/A GLN 206.A N ILE 252.A O no hydrogen 3.359 N/A ALA 208.A N ALA 250.A O no hydrogen 2.981 N/A SER 210.A N PHE 248.A O no hydrogen 3.272 N/A SER 210.A OG ALA 214.A O no hydrogen 2.632 N/A SER 210.A OG SER 216.A OG no hydrogen 3.160 N/A ARG 212.A NH1 HIS 473.A ND1 no hydrogen 2.943 N/A GLY 213.A N ASN 247.A OD1 no hydrogen 2.687 N/A SER 215.A OG GLY 522.A O no hydrogen 3.360 N/A SER 215.A OG ASP 525.A OD2 no hydrogen 2.384 N/A SER 216.A OG SER 210.A OG no hydrogen 3.160 N/A SER 216.A OG SER 215.A O no hydrogen 2.466 N/A SER 216.A OG GLN 219.A O no hydrogen 3.474 N/A HIS 217.A NE2 SER 518.A O no hydrogen 3.192 N/A GLN 218.A N GLN 218.A OE1 no hydrogen 2.476 N/A ASN 220.A N LEU 186.A O no hydrogen 3.133 N/A ASN 220.A ND2 TYR 557.A OH no hydrogen 2.786 N/A PHE 222.A N ASN 220.A O no hydrogen 2.572 N/A ILE 223.A N PHE 240.A O no hydrogen 3.214 N/A ALA 224.A N ILE 184.A O no hydrogen 2.883 N/A LEU 225.A N TYR 238.A O no hydrogen 2.875 N/A VAL 226.A N ASP 182.A O no hydrogen 2.817 N/A ALA 227.A N GLU 236.A O no hydrogen 3.265 N/A ALA 230.A N ALA 227.A O no hydrogen 3.065 N/A ASP 231.A N GLN 234.A O no hydrogen 2.910 N/A HIS 233.A N ASP 231.A OD1 no hydrogen 2.748 N/A GLN 234.A N ASP 231.A OD1 no hydrogen 2.701 N/A GLN 234.A NE2 ASN 229.A O no hydrogen 2.717 N/A GLN 234.A NE2 ASP 231.A OD2 no hydrogen 2.987 N/A GLY 235.A N ASP 292.A O no hydrogen 3.240 N/A VAL 237.A N SER 291.A O no hydrogen 2.852 N/A TYR 238.A N LEU 225.A O no hydrogen 2.794 N/A GLY 239.A N VAL 289.A O no hydrogen 3.020 N/A PHE 240.A N ILE 223.A O no hydrogen 2.782 N/A SER 241.A N VAL 287.A O no hydrogen 2.975 N/A SER 241.A OG TYR 306.A OH no hydrogen 2.637 N/A PHE 242.A N PRO 221.A O no hydrogen 3.491 N/A VAL 243.A N GLU 285.A O no hydrogen 3.380 N/A TYR 244.A OH HIS 492.A ND1 no hydrogen 2.676 N/A SER 245.A OG TYR 499.A OH no hydrogen 2.910 N/A SER 245.A OG ASP 525.A OD1 no hydrogen 3.070 N/A SER 245.A OG ASP 525.A OD2 no hydrogen 3.271 N/A LEU 249.A N GLY 265.A O no hydrogen 2.623 N/A ALA 250.A N ALA 208.A O no hydrogen 2.852 N/A GLN 251.A N SER 263.A O no hydrogen 2.832 N/A ILE 252.A N GLN 206.A O no hydrogen 3.194 N/A GLU 253.A N ARG 261.A O no hydrogen 2.646 N/A VAL 254.A N GLY 204.A O no hydrogen 2.882 N/A ASP 255.A N THR 259.A O no hydrogen 3.296 N/A GLY 258.A N ASP 255.A O no hydrogen 3.485 N/A THR 259.A N ASP 255.A OD1 no hydrogen 2.855 N/A THR 259.A OG1 ASP 255.A OD1 no hydrogen 3.432 N/A ALA 260.A N PHE 176.A O no hydrogen 3.160 N/A ARG 261.A N GLU 253.A O no hydrogen 2.566 N/A ARG 261.A NE ASP 175.A OD1 no hydrogen 2.304 N/A ARG 261.A NH2 ASP 175.A OD2 no hydrogen 3.193 N/A VAL 262.A N VAL 174.A O no hydrogen 2.946 N/A SER 263.A N GLN 251.A O no hydrogen 2.692 N/A SER 263.A OG GLN 251.A O no hydrogen 3.413 N/A MET 264.A N MET 172.A O no hydrogen 3.302 N/A GLY 265.A N LEU 249.A O no hydrogen 3.175 N/A ASN 267.A N ASN 247.A O no hydrogen 3.412 N/A ASN 267.A ND2 SER 210.A O no hydrogen 3.613 N/A PHE 269.A N ASN 267.A OD1 no hydrogen 3.065 N/A PHE 271.A N PRO 268.A O no hydrogen 3.242 N/A THR 272.A OG1 LEU 166.A O no hydrogen 2.895 N/A TRP 273.A N LEU 166.A O no hydrogen 2.909 N/A LEU 275.A N LEU 164.A O no hydrogen 2.634 N/A GLN 276.A N GLU 279.A OE2 no hydrogen 2.573 N/A GLY 278.A N ASN 158.A O no hydrogen 2.789 N/A GLU 279.A N GLN 276.A O no hydrogen 3.189 N/A PHE 281.A N PHE 156.A O no hydrogen 2.715 N/A GLN 282.A NE2 GLN 140.A OE1 no hydrogen 3.017 N/A THR 283.A N ALA 154.A O no hydrogen 3.247 N/A THR 283.A OG1 ALA 169.A O no hydrogen 3.556 N/A THR 283.A OG1 SER 171.A OG no hydrogen 3.139 N/A VAL 286.A N ARG 152.A O no hydrogen 2.820 N/A VAL 287.A N SER 241.A O no hydrogen 2.874 N/A MET 288.A N ILE 150.A O no hydrogen 2.923 N/A VAL 289.A N GLY 239.A O no hydrogen 3.310 N/A TYR 290.A N ASN 148.A O no hydrogen 3.461 N/A TYR 290.A OH GLU 236.A OE2 no hydrogen 2.621 N/A SER 291.A N VAL 237.A O no hydrogen 3.320 N/A GLN 293.A N SER 291.A OG no hydrogen 3.105 N/A GLN 293.A NE2 SER 291.A OG no hydrogen 3.159 N/A GLY 294.A N GLY 235.A O no hydrogen 3.098 N/A LEU 295.A N ASP 231.A O no hydrogen 3.109 N/A ASN 296.A N GLU 232.A O no hydrogen 2.937 N/A ASN 296.A ND2 ARG 630.A O no hydrogen 3.054 N/A SER 299.A N LEU 295.A O no hydrogen 3.117 N/A SER 299.A OG LEU 295.A O no hydrogen 3.194 N/A SER 299.A OG LEU 555.A O no hydrogen 2.438 N/A GLN 300.A N ASN 296.A O no hydrogen 2.987 N/A GLN 300.A NE2 PHE 628.A O no hydrogen 2.668 N/A THR 301.A N GLY 297.A O no hydrogen 3.299 N/A THR 301.A OG1 GLY 297.A O no hydrogen 2.857 N/A TYR 302.A N MET 298.A O no hydrogen 3.007 N/A TYR 302.A OH VAL 287.A O no hydrogen 2.854 N/A HIS 303.A N SER 299.A O no hydrogen 2.597 N/A HIS 303.A NE2 SER 554.A O no hydrogen 2.807 N/A GLU 304.A N GLN 300.A O no hydrogen 3.258 N/A LEU 305.A N THR 301.A O no hydrogen 3.287 N/A TYR 306.A N TYR 302.A O no hydrogen 2.871 N/A TYR 306.A OH SER 241.A OG no hydrogen 2.637 N/A ARG 307.A N HIS 303.A O no hydrogen 2.999 N/A THR 308.A N GLU 304.A O no hydrogen 3.239 N/A THR 308.A OG1 GLU 304.A O no hydrogen 2.346 N/A ARG 309.A N LEU 305.A O no hydrogen 2.770 N/A ARG 309.A NE GLU 120.A OE1 no hydrogen 3.034 N/A ARG 309.A NH1 THR 308.A O no hydrogen 2.720 N/A ARG 309.A NH2 GLU 120.A OE2 no hydrogen 2.346 N/A ALA 311.A N TYR 306.A O no hydrogen 2.983 N/A ARG 312.A NE TYR 530.A O no hydrogen 2.866 N/A ARG 312.A NH2 TYR 530.A O no hydrogen 3.344 N/A ARG 316.A NE ASP 317.A OD2 no hydrogen 3.091 N/A ARG 316.A NH1 TYR 114.A OH no hydrogen 3.252 N/A ARG 316.A NH2 GLU 116.A OE1 no hydrogen 3.343 N/A ARG 318.A N PHE 315.A O no hydrogen 3.265 N/A ARG 320.A N GLN 624.A OE1 no hydrogen 2.788 N/A ARG 320.A NE PHE 315.A O no hydrogen 3.236 N/A ARG 320.A NE ARG 318.A O no hydrogen 3.385 N/A ARG 320.A NH1 PRO 533.A O no hydrogen 3.461 N/A ARG 320.A NH1 GLN 534.A OE1 no hydrogen 2.767 N/A ILE 322.A N GLU 352.A OE1 no hydrogen 3.353 N/A ILE 324.A N LEU 353.A O no hydrogen 3.060 N/A ASN 325.A N TYR 594.A O no hydrogen 2.749 N/A ASN 326.A ND2 THR 330.A OG1 no hydrogen 3.320 N/A TRP 327.A N ASN 325.A OD1 no hydrogen 2.840 N/A THR 330.A N ASN 326.A O no hydrogen 3.086 N/A THR 330.A OG1 ASN 326.A O no hydrogen 3.441 N/A TYR 331.A N TRP 327.A O no hydrogen 2.997 N/A ASP 333.A N THR 330.A O no hydrogen 3.104 N/A ILE 339.A N GLU 336.A O no hydrogen 3.213 N/A VAL 340.A N GLU 336.A O no hydrogen 3.451 N/A ASN 341.A N GLU 337.A O no hydrogen 3.417 N/A ALA 343.A N VAL 340.A O no hydrogen 3.181 N/A THR 345.A OG1 ILE 342.A O no hydrogen 2.437 N/A GLU 346.A N ILE 342.A O no hydrogen 3.145 N/A ALA 347.A N ALA 343.A O no hydrogen 3.330 N/A GLU 348.A N THR 345.A O no hydrogen 3.233 N/A LEU 349.A N THR 345.A O no hydrogen 3.331 N/A GLU 352.A N ILE 322.A O no hydrogen 3.168 N/A VAL 354.A N GLN 398.A O no hydrogen 3.370 N/A VAL 355.A N ILE 324.A O no hydrogen 3.185 N/A LEU 356.A N GLY 400.A O no hydrogen 3.516 N/A ASP 357.A N ASN 326.A OD1 no hydrogen 3.311 N/A TRP 360.A NE1 TRP 402.A O no hydrogen 2.823 N/A GLY 362.A N ILE 375.A O no hydrogen 2.820 N/A GLU 363.A N SER 370.A OG no hydrogen 2.633 N/A ARG 364.A N PHE 361.A O no hydrogen 3.025 N/A ARG 364.A NE ASP 358.A OD1 no hydrogen 3.055 N/A ARG 364.A NE ASP 358.A OD2 no hydrogen 2.901 N/A ARG 364.A NH1 ARG 369.A O no hydrogen 2.641 N/A ARG 364.A NH2 ASP 358.A OD2 no hydrogen 3.299 N/A ASP 365.A N GLU 363.A O no hydrogen 2.753 N/A ARG 369.A NE ASP 366.A OD2 no hydrogen 3.263 N/A ARG 369.A NH2 ASP 366.A OD2 no hydrogen 3.152 N/A SER 370.A N ASN 411.A O no hydrogen 3.190 N/A ASP 373.A N SER 370.A O no hydrogen 3.230 N/A ASN 377.A N TRP 360.A O no hydrogen 3.163 N/A ARG 378.A NH1 PRO 382.A O no hydrogen 3.362 N/A ARG 379.A N ASN 377.A OD1 no hydrogen 3.345 N/A ARG 379.A NH2 GLU 363.A OE1 no hydrogen 2.993 N/A LYS 380.A NZ ASP 365.A OD1 no hydrogen 3.409 N/A LEU 381.A N ASN 377.A O no hydrogen 2.906 N/A GLY 384.A N LEU 381.A O no hydrogen 3.192 N/A GLY 387.A N ASN 383.A O no hydrogen 3.362 N/A ALA 389.A N LEU 385.A O no hydrogen 3.412 N/A LYS 390.A N ASP 386.A O no hydrogen 3.262 N/A GLN 391.A N GLY 387.A O no hydrogen 3.443 N/A VAL 392.A N LEU 388.A O no hydrogen 3.149 N/A ASN 393.A N ALA 389.A O no hydrogen 2.819 N/A LEU 395.A N VAL 392.A O no hydrogen 3.080 N/A GLY 396.A N ASN 393.A O no hydrogen 3.240 N/A LEU 397.A N VAL 392.A O no hydrogen 3.402 N/A GLN 398.A N GLU 352.A O no hydrogen 3.096 N/A GLY 400.A N VAL 354.A O no hydrogen 3.159 N/A LEU 401.A N TYR 465.A O no hydrogen 3.289 N/A VAL 403.A N LYS 467.A O no hydrogen 2.672 N/A MET 407.A N GLU 404.A O no hydrogen 3.269 N/A VAL 408.A N LEU 437.A O no hydrogen 2.692 N/A SER 409.A N LEU 371.A O no hydrogen 3.168 N/A SER 409.A OG ARG 368.A O no hydrogen 2.902 N/A SER 409.A OG ASN 435.A O no hydrogen 3.396 N/A SER 412.A OG SER 409.A O no hydrogen 2.329 N/A GLU 413.A N ASP 373.A OD1 no hydrogen 3.221 N/A GLU 413.A N ASP 373.A OD2 no hydrogen 2.810 N/A LEU 414.A N ASP 373.A OD1 no hydrogen 3.420 N/A LYS 417.A N GLU 413.A O no hydrogen 3.209 N/A LYS 417.A NZ HIS 418.A NE2 no hydrogen 2.973 N/A HIS 418.A N LEU 414.A O no hydrogen 2.721 N/A CYS 422.A SG PRO 419.A O no hydrogen 3.416 N/A CYS 422.A SG HIS 424.A ND1 no hydrogen 3.804 N/A LEU 423.A N VAL 438.A O no hydrogen 2.673 N/A HIS 424.A ND1 CYS 422.A O no hydrogen 2.825 N/A ARG 428.A N VAL 425.A O no hydrogen 3.153 N/A ARG 430.A NH1 PRO 419.A O no hydrogen 3.354 N/A SER 431.A N GLU 476.A OE1 no hydrogen 3.209 N/A SER 431.A OG GLU 476.A OE1 no hydrogen 3.104 N/A SER 431.A OG GLU 476.A OE2 no hydrogen 2.314 N/A LEU 437.A N VAL 408.A O no hydrogen 2.629 N/A ASP 440.A N TRP 421.A O no hydrogen 2.471 N/A TYR 441.A OH PRO 405.A O no hydrogen 3.042 N/A SER 442.A OG ASP 440.A OD2 no hydrogen 2.245 N/A ARG 443.A N ASP 440.A O no hydrogen 3.479 N/A ARG 443.A NE ASP 445.A OD2 no hydrogen 3.279 N/A ARG 443.A NH2 ASP 445.A OD1 no hydrogen 2.976 N/A CYS 447.A N ARG 443.A O no hydrogen 3.375 N/A CYS 447.A SG TYR 441.A O no hydrogen 3.154 N/A CYS 447.A SG ARG 443.A O no hydrogen 3.350 N/A CYS 447.A SG GLY 497.A O no hydrogen 3.742 N/A ASP 448.A N GLU 444.A O no hydrogen 2.927 N/A TYR 449.A N ASP 445.A O no hydrogen 2.741 N/A ILE 450.A N VAL 446.A O no hydrogen 2.867 N/A ILE 451.A N CYS 447.A O no hydrogen 3.030 N/A THR 453.A N TYR 449.A O no hydrogen 3.012 N/A THR 453.A OG1 TYR 449.A O no hydrogen 2.854 N/A THR 453.A OG1 ILE 450.A O no hydrogen 2.833 N/A ILE 454.A N ILE 450.A O no hydrogen 3.384 N/A SER 455.A OG ILE 451.A O no hydrogen 2.459 N/A ASN 456.A ND2 GLU 452.A O no hydrogen 2.361 N/A LEU 458.A N ILE 454.A O no hydrogen 2.724 N/A ALA 459.A N ASN 456.A O no hydrogen 3.301 N/A SER 460.A N VAL 457.A O no hydrogen 3.357 N/A SER 460.A OG ASN 456.A O no hydrogen 3.334 N/A SER 460.A OG VAL 457.A O no hydrogen 2.472 N/A ILE 463.A N ALA 461.A O no hydrogen 2.787 N/A THR 464.A N PHE 399.A O no hydrogen 3.411 N/A THR 464.A OG1 GLN 398.A OE1 no hydrogen 3.382 N/A TYR 465.A OH GLU 515.A OE1 no hydrogen 2.677 N/A VAL 466.A N LEU 513.A O no hydrogen 2.917 N/A LYS 467.A N LEU 401.A O no hydrogen 2.688 N/A TRP 468.A N GLU 515.A O no hydrogen 3.195 N/A TRP 468.A NE1 GLU 406.A OE2 no hydrogen 2.625 N/A ALA 469.A N VAL 403.A O no hydrogen 2.504 N/A ASN 471.A N GLU 404.A OE2 no hydrogen 2.967 N/A ARG 472.A NE GLN 436.A O no hydrogen 2.811 N/A ARG 472.A NH2 SER 431.A O no hydrogen 2.679 N/A THR 475.A OG1 HIS 473.A O no hydrogen 3.303 N/A SER 479.A OG ASP 440.A OD2 no hydrogen 3.056 N/A SER 479.A OG SER 442.A OG no hydrogen 3.314 N/A ALA 481.A N SER 479.A OG no hydrogen 3.344 N/A GLU 485.A N GLU 485.A OE1 no hydrogen 3.225 N/A ARG 486.A NH1 GLU 489.A OE1 no hydrogen 3.049 N/A ARG 486.A NH2 GLU 279.A OE2 no hydrogen 2.748 N/A GLN 487.A N PRO 483.A O no hydrogen 3.075 N/A GLU 489.A N ARG 486.A O no hydrogen 2.566 N/A THR 490.A N GLN 487.A O no hydrogen 2.992 N/A HIS 492.A ND1 TYR 244.A OH no hydrogen 2.676 N/A ARG 493.A N GLU 489.A O no hydrogen 3.180 N/A TYR 494.A N THR 490.A O no hydrogen 2.762 N/A LEU 496.A N HIS 492.A O no hydrogen 2.713 N/A GLY 497.A N ARG 493.A O no hydrogen 2.659 N/A LEU 498.A N TYR 494.A O no hydrogen 3.151 N/A TYR 499.A N MET 495.A O no hydrogen 2.978 N/A TYR 499.A OH SER 245.A OG no hydrogen 2.910 N/A ARG 500.A N LEU 496.A O no hydrogen 3.130 N/A VAL 501.A N GLY 497.A O no hydrogen 3.000 N/A MET 502.A N LEU 498.A O no hydrogen 2.902 N/A ASP 503.A N TYR 499.A O no hydrogen 3.078 N/A GLU 504.A N ARG 500.A O no hydrogen 3.225 N/A ILE 505.A N VAL 501.A O no hydrogen 3.237 N/A THR 506.A N MET 502.A O no hydrogen 3.003 N/A SER 507.A N ASP 503.A O no hydrogen 3.275 N/A SER 507.A N GLU 504.A O no hydrogen 3.167 N/A SER 507.A OG ASP 503.A O no hydrogen 2.516 N/A ARG 508.A N GLU 504.A O no hydrogen 2.834 N/A ARG 508.A NH1 GLU 452.A OE1 no hydrogen 3.566 N/A ARG 508.A NH2 GLU 452.A OE1 no hydrogen 3.384 N/A PHE 509.A N ILE 505.A O no hydrogen 3.180 N/A LEU 513.A N THR 464.A O no hydrogen 2.633 N/A GLU 515.A N VAL 466.A O no hydrogen 3.010 N/A SER 516.A N GLN 534.A O no hydrogen 3.002 N/A SER 518.A N GLY 520.A O no hydrogen 2.904 N/A SER 518.A OG MET 470.A O no hydrogen 3.006 N/A SER 518.A OG CYS 517.A O no hydrogen 2.973 N/A GLY 521.A N GLU 193.A OE1 no hydrogen 3.063 N/A GLY 521.A N GLU 193.A OE2 no hydrogen 2.618 N/A GLY 522.A N SER 518.A O no hydrogen 3.294 N/A PHE 524.A N GLY 521.A O no hydrogen 3.334 N/A ASP 525.A N ARG 523.A O no hydrogen 2.967 N/A MET 528.A N ASP 525.A O no hydrogen 3.104 N/A MET 528.A N ASP 525.A OD1 no hydrogen 3.037 N/A LEU 529.A N ASP 525.A O no hydrogen 3.269 N/A TYR 530.A N PRO 526.A O no hydrogen 3.269 N/A TYR 531.A N MET 528.A O no hydrogen 3.214 N/A MET 532.A N MET 528.A O no hydrogen 2.705 N/A GLN 534.A NE2 GLU 515.A OE1 no hydrogen 2.492 N/A THR 535.A N ALA 561.A O no hydrogen 3.152 N/A TRP 536.A N SER 516.A O no hydrogen 2.950 N/A THR 537.A OG1 GLY 563.A O no hydrogen 2.489 N/A SER 538.A OG ASN 540.A O no hydrogen 3.307 N/A ASN 540.A ND2 GLY 191.A O no hydrogen 2.484 N/A THR 541.A OG1 GLU 328.A OE1 no hydrogen 2.721 N/A THR 541.A OG1 ASP 539.A O no hydrogen 3.360 N/A THR 541.A OG1 SER 567.A OG no hydrogen 3.364 N/A THR 541.A OG1 GLN 573.A OE1 no hydrogen 3.458 N/A ASP 542.A N ASN 540.A OD1 no hydrogen 3.246 N/A SER 545.A N ASP 542.A OD2 no hydrogen 3.193 N/A SER 545.A OG ASP 542.A OD2 no hydrogen 3.493 N/A ARG 546.A N ASP 542.A O no hydrogen 2.748 N/A ARG 546.A NE SER 538.A OG no hydrogen 3.224 N/A ARG 546.A NH2 THR 537.A OG1 no hydrogen 2.326 N/A LEU 547.A N VAL 544.A O no hydrogen 3.133 N/A ILE 549.A N SER 545.A O no hydrogen 3.336 N/A GLN 550.A N ARG 546.A O no hydrogen 2.738 N/A GLN 550.A NE2 VAL 586.A O no hydrogen 3.140 N/A GLN 550.A NE2 SER 589.A OG no hydrogen 3.287 N/A TYR 551.A N LEU 547.A O no hydrogen 3.036 N/A GLY 552.A N LYS 548.A O no hydrogen 3.229 N/A THR 553.A N ILE 549.A O no hydrogen 3.055 N/A SER 554.A N GLN 550.A O no hydrogen 3.189 N/A SER 554.A OG GLN 550.A O no hydrogen 3.141 N/A SER 554.A OG TYR 551.A O no hydrogen 2.816 N/A LEU 555.A N GLY 552.A O no hydrogen 3.290 N/A VAL 556.A N THR 553.A O no hydrogen 3.333 N/A TYR 557.A N THR 553.A O no hydrogen 3.113 N/A TYR 557.A OH ASN 220.A OD1 no hydrogen 3.083 N/A SER 560.A OG GLN 624.A O no hydrogen 2.616 N/A ALA 561.A N PRO 558.A O no hydrogen 3.229 N/A MET 562.A N ILE 559.A O no hydrogen 2.961 N/A GLY 563.A N THR 535.A O no hydrogen 3.150 N/A VAL 566.A N GLY 593.A O no hydrogen 3.082 N/A SER 567.A OG THR 541.A O no hydrogen 3.132 N/A ASN 571.A N ARG 576.A O no hydrogen 3.416 N/A ASN 571.A ND2 GLN 573.A OE1 no hydrogen 3.024 N/A HIS 572.A ND1 GLU 328.A OE2 no hydrogen 2.894 N/A GLN 573.A N ASN 571.A OD1 no hydrogen 3.019 N/A GLN 573.A NE2 GLU 328.A OE1 no hydrogen 2.932 N/A VAL 574.A N ASN 571.A OD1 no hydrogen 3.027 N/A ARG 576.A NH1 ASP 542.A OD2 no hydrogen 2.468 N/A ARG 576.A NH1 SER 545.A OG no hydrogen 3.242 N/A THR 582.A OG1 SER 579.A O no hydrogen 3.039 N/A ARG 583.A N SER 579.A O no hydrogen 2.995 N/A ARG 583.A NH1 SER 567.A O no hydrogen 2.957 N/A ARG 583.A NH2 ALA 578.A O no hydrogen 2.393 N/A GLY 584.A N LEU 580.A O no hydrogen 2.815 N/A HIS 585.A N LYS 581.A O no hydrogen 2.759 N/A VAL 586.A N THR 582.A O no hydrogen 2.962 N/A MET 588.A N GLY 584.A O no hydrogen 2.796 N/A SER 589.A N VAL 586.A O no hydrogen 3.371 N/A SER 589.A OG VAL 586.A O no hydrogen 2.224 N/A GLY 590.A N ALA 587.A O no hydrogen 3.361 N/A TYR 594.A N LEU 323.A O no hydrogen 2.858 N/A TYR 594.A OH MET 609.A O no hydrogen 3.396 N/A TYR 594.A OH GLN 612.A OE1 no hydrogen 2.706 N/A GLU 595.A N VAL 566.A O no hydrogen 2.854 N/A THR 599.A N ASP 597.A OD1 no hydrogen 3.161 N/A THR 599.A OG1 ASP 597.A OD1 no hydrogen 2.515 N/A LYS 600.A N ASP 597.A O no hydrogen 3.357 N/A LEU 601.A N ILE 598.A O no hydrogen 3.174 N/A THR 602.A N GLU 605.A OE1 no hydrogen 3.157 N/A THR 602.A OG1 THR 604.A OG1 no hydrogen 2.685 N/A THR 604.A OG1 THR 602.A OG1 no hydrogen 2.685 N/A LYS 606.A N THR 602.A O no hydrogen 3.082 N/A LYS 606.A NZ GLU 603.A OE1 no hydrogen 3.260 N/A GLN 607.A N GLU 603.A O no hydrogen 3.062 N/A MET 608.A N THR 604.A O no hydrogen 3.498 N/A MET 609.A N GLU 605.A O no hydrogen 3.088 N/A LYS 610.A N LYS 606.A O no hydrogen 3.082 N/A GLN 611.A N GLN 607.A O no hydrogen 3.029 N/A GLN 612.A N MET 608.A O no hydrogen 2.607 N/A GLN 612.A NE2 LEU 580.A O no hydrogen 3.237 N/A VAL 613.A N MET 609.A O no hydrogen 2.997 N/A ALA 614.A N LYS 610.A O no hydrogen 3.090 N/A PHE 615.A N GLN 611.A O no hydrogen 2.805 N/A TYR 616.A N GLN 612.A O no hydrogen 3.047 N/A TYR 616.A N VAL 613.A O no hydrogen 3.206 N/A TYR 616.A OH GLY 590.A O no hydrogen 2.916 N/A LYS 617.A N VAL 613.A O no hydrogen 3.397 N/A LYS 617.A NZ GLY 350.A O no hydrogen 3.105 N/A VAL 619.A N TYR 616.A O no hydrogen 3.102 N/A ARG 620.A NH1 ARG 320.A O no hydrogen 3.527 N/A ARG 620.A NH1 GLU 352.A OE1 no hydrogen 3.041 N/A ARG 620.A NH1 GLU 352.A OE2 no hydrogen 3.529 N/A ARG 621.A NE GLU 319.A OE1 no hydrogen 3.390 N/A VAL 623.A N VAL 619.A O no hydrogen 2.590 N/A GLN 624.A N ARG 620.A O no hydrogen 3.092 N/A GLN 624.A NE2 ARG 320.A O no hydrogen 3.627 N/A GLN 624.A NE2 TYR 616.A OH no hydrogen 2.408 N/A PHE 625.A N ARG 621.A O no hydrogen 3.186 N/A THR 627.A N VAL 645.A O no hydrogen 2.607 N/A TYR 629.A N MET 643.A O no hydrogen 2.945 N/A ARG 630.A N ASN 296.A OD1 no hydrogen 2.920 N/A ARG 630.A NE GLU 232.A OE2 no hydrogen 2.532 N/A ARG 630.A NH1 SER 554.A O no hydrogen 2.965 N/A ARG 630.A NH1 SER 554.A OG no hydrogen 3.349 N/A ARG 630.A NH2 SER 299.A OG no hydrogen 2.475 N/A LEU 631.A N ALA 641.A O no hydrogen 2.796 N/A LEU 632.A N ALA 641.A O no hydrogen 3.043 N/A PHE 635.A N SER 633.A OG no hydrogen 3.138 N/A GLU 636.A N SER 633.A O no hydrogen 3.224 N/A ASN 638.A ND2 LEU 660.A O no hydrogen 2.684 N/A ALA 640.A N PHE 657.A O no hydrogen 2.824 N/A ALA 641.A N LEU 632.A O no hydrogen 3.115 N/A TRP 642.A N ALA 655.A O no hydrogen 2.966 N/A MET 643.A N TYR 629.A O no hydrogen 2.878 N/A PHE 644.A N LEU 653.A O no hydrogen 2.639 N/A VAL 645.A N THR 627.A O no hydrogen 2.728 N/A SER 646.A N GLU 651.A O no hydrogen 2.788 N/A SER 646.A OG ASP 648.A OD1 no hydrogen 2.393 N/A ARG 649.A N SER 646.A O no hydrogen 3.279 N/A SER 650.A OG ASP 648.A OD1 no hydrogen 3.088 N/A SER 650.A OG ASP 648.A OD2 no hydrogen 2.725 N/A ALA 652.A N LEU 715.A O no hydrogen 2.619 N/A LEU 653.A N PHE 644.A O no hydrogen 2.743 N/A VAL 654.A N TRP 713.A O no hydrogen 2.803 N/A ALA 655.A N TRP 642.A O no hydrogen 2.763 N/A TYR 656.A N MET 711.A O no hydrogen 3.296 N/A TYR 656.A OH GLU 639.A OE2 no hydrogen 3.039 N/A PHE 657.A N ALA 640.A O no hydrogen 2.603 N/A ARG 658.A N ILE 709.A O no hydrogen 3.305 N/A ARG 658.A NH1 LEU 660.A O no hydrogen 3.073 N/A VAL 659.A N ASN 638.A O no hydrogen 3.042 N/A LEU 660.A N ASN 638.A OD1 no hydrogen 3.016 N/A ALA 661.A N ASP 707.A OD1 no hydrogen 2.603 N/A ALA 665.A N TYR 703.A OH no hydrogen 3.274 N/A LEU 670.A N VAL 699.A O no hydrogen 2.559 N/A ARG 671.A NE TYR 696.A O no hydrogen 2.963 N/A ARG 671.A NH2 TYR 696.A O no hydrogen 2.568 N/A LEU 672.A N LEU 694.A O no hydrogen 2.906 N/A ASP 676.A N TYR 681.A OH no hydrogen 2.690 N/A ASN 678.A N ASP 676.A OD1 no hydrogen 2.971 N/A GLN 679.A N ASP 676.A O no hydrogen 3.199 N/A TYR 681.A N TYR 689.A O no hydrogen 3.063 N/A TYR 681.A OH ARG 649.A O no hydrogen 2.919 N/A GLU 682.A N LYS 716.A O no hydrogen 2.794 N/A ILE 683.A N GLY 687.A O no hydrogen 3.200 N/A GLU 684.A N ARG 714.A O no hydrogen 3.202 N/A LEU 686.A N ILE 683.A O no hydrogen 3.111 N/A GLY 687.A N ILE 683.A O no hydrogen 3.267 N/A TYR 689.A N TYR 681.A O no hydrogen 3.161 N/A GLY 691.A N GLN 679.A O no hydrogen 2.911 N/A GLU 693.A N ASP 692.A OD1 no hydrogen 2.741 N/A LEU 694.A N GLY 690.A O no hydrogen 3.114 N/A TYR 696.A N ASP 692.A O no hydrogen 2.935 N/A ALA 697.A N GLU 693.A O no hydrogen 2.958 N/A GLY 698.A N GLU 693.A O no hydrogen 2.920 N/A VAL 699.A N LEU 670.A O no hydrogen 2.576 N/A LEU 701.A N SER 668.A O no hydrogen 2.945 N/A ARG 704.A NH2 SER 710.A O no hydrogen 2.665 N/A SER 706.A N SER 705.A OG no hydrogen 2.508 N/A SER 706.A OG SER 705.A O no hydrogen 2.420 N/A PHE 708.A N VAL 659.A O no hydrogen 2.848 N/A ILE 709.A N ARG 658.A O no hydrogen 3.061 N/A SER 710.A OG HIS 585.A ND1 no hydrogen 2.642 N/A MET 711.A N TYR 656.A O no hydrogen 3.178 N/A TRP 713.A N VAL 654.A O no hydrogen 2.890 N/A ARG 714.A NH1 ASP 618.A OD2 no hydrogen 3.226 N/A LEU 715.A N ALA 652.A O no hydrogen 2.611 N/A LYS 716.A N GLU 682.A O no hydrogen 3.330 N/A LYS 716.A NZ ALA 717.A O no hydrogen 2.308 N/A ALA 717.A N SER 650.A O no hydrogen 2.691 N/A