Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N HIS 24.A O no hydrogen 2.992 N/A TYR 3.A N SER 615.A OG no hydrogen 2.726 N/A SER 4.A N GLU 22.A O no hydrogen 2.924 N/A SER 4.A OG HIS 24.A NE2 no hydrogen 3.240 N/A SER 4.A OG TYR 503.A OH no hydrogen 3.170 N/A ILE 5.A N THR 613.A O no hydrogen 2.978 N/A ILE 6.A N VAL 20.A O no hydrogen 3.030 N/A THR 7.A N THR 611.A OG1 no hydrogen 3.321 N/A THR 7.A OG1 THR 611.A OG1 no hydrogen 2.753 N/A ASN 9.A N GLY 609.A O no hydrogen 2.793 N/A LEU 11.A N LEU 93.A O no hydrogen 2.789 N/A ARG 12.A N GLU 17.A OE2 no hydrogen 2.737 N/A ARG 12.A NH1 LYS 466.A O no hydrogen 2.766 N/A ARG 12.A NH2 LYS 466.A O no hydrogen 3.285 N/A GLU 14.A N ILE 67.A O no hydrogen 2.623 N/A SER 15.A OG LEU 13.A O no hydrogen 2.730 N/A GLU 17.A N PHE 65.A O no hydrogen 2.871 N/A MET 19.A N VAL 63.A O no hydrogen 2.939 N/A VAL 20.A N ILE 6.A O no hydrogen 3.081 N/A LEU 21.A N GLY 61.A O no hydrogen 3.128 N/A GLU 22.A N SER 4.A O no hydrogen 3.126 N/A ALA 23.A N HIS 59.A O no hydrogen 3.135 N/A HIS 24.A N MET 2.A O no hydrogen 2.786 N/A HIS 24.A ND1 TYR 458.A OH no hydrogen 2.569 N/A HIS 24.A NE2 TYR 503.A OH no hydrogen 3.151 N/A VAL 30.A N LEU 53.A O no hydrogen 3.241 N/A VAL 32.A N THR 51.A O no hydrogen 3.378 N/A THR 35.A N GLN 80.A O no hydrogen 3.093 N/A THR 35.A OG1 GLN 80.A OE1 no hydrogen 2.755 N/A HIS 37.A N THR 78.A O no hydrogen 2.809 N/A GLY 41.A N PHE 39.A O no hydrogen 2.576 N/A VAL 45.A N VAL 36.A O no hydrogen 2.758 N/A SER 47.A N VAL 45.A O no hydrogen 2.754 N/A SER 48.A N SER 47.A OG no hydrogen 2.522 N/A SER 48.A OG GLU 49.A OE1 no hydrogen 3.401 N/A GLU 49.A N SER 48.A OG no hydrogen 2.656 N/A HIS 59.A N THR 54.A O no hydrogen 3.151 N/A HIS 59.A NE2 GLY 28.A O no hydrogen 2.751 N/A GLY 61.A N LEU 21.A O no hydrogen 3.349 N/A VAL 63.A N MET 19.A O no hydrogen 2.874 N/A PHE 65.A N GLU 17.A O no hydrogen 3.004 N/A VAL 77.A N VAL 92.A O no hydrogen 2.796 N/A THR 78.A N HIS 37.A O no hydrogen 2.908 N/A VAL 79.A N LYS 90.A O no hydrogen 2.871 N/A GLN 80.A N THR 35.A O no hydrogen 2.938 N/A ALA 81.A N VAL 88.A O no hydrogen 3.009 N/A THR 82.A N THR 33.A O no hydrogen 3.178 N/A THR 82.A OG1 GLY 84.A O no hydrogen 2.700 N/A PHE 83.A N GLN 86.A O no hydrogen 2.807 N/A GLY 84.A N PRO 31.A O no hydrogen 3.361 N/A GLN 86.A N PHE 83.A O no hydrogen 3.378 N/A VAL 88.A N ALA 81.A O no hydrogen 3.149 N/A LYS 90.A N VAL 79.A O no hydrogen 2.952 N/A VAL 92.A N VAL 77.A O no hydrogen 2.813 N/A VAL 94.A N LYS 75.A O no hydrogen 2.710 N/A SER 95.A N LEU 11.A O no hydrogen 2.658 N/A GLN 97.A N SER 95.A OG no hydrogen 3.138 N/A SER 98.A OG LEU 96.A O no hydrogen 3.547 N/A SER 98.A OG SER 184.A OG no hydrogen 3.180 N/A TYR 100.A N VAL 123.A O no hydrogen 2.866 N/A PHE 102.A N PHE 121.A O no hydrogen 3.205 N/A GLN 104.A N ARG 119.A O no hydrogen 2.772 N/A THR 105.A OG1 LYS 107.A O no hydrogen 2.482 N/A ASP 106.A N LEU 117.A O no hydrogen 2.930 N/A LYS 107.A N TYR 110.A OH no hydrogen 2.922 N/A LYS 107.A NZ ILE 109.A O no hydrogen 3.094 N/A THR 108.A OG1 ASN 572.A O no hydrogen 2.612 N/A TYR 110.A N GLU 194.A O no hydrogen 2.938 N/A TYR 110.A OH ASP 106.A OD1 no hydrogen 2.422 N/A TYR 110.A OH LYS 107.A O no hydrogen 3.247 N/A THR 111.A OG1 PRO 112.A O no hydrogen 3.263 N/A GLY 113.A N ILE 166.A O no hydrogen 2.856 N/A SER 114.A N THR 111.A O no hydrogen 3.281 N/A SER 114.A OG THR 111.A O no hydrogen 2.586 N/A THR 115.A OG1 ASP 165.A OD1 no hydrogen 3.143 N/A VAL 116.A N TRP 164.A O no hydrogen 2.695 N/A LEU 117.A N ASP 106.A OD1 no hydrogen 2.995 N/A TYR 118.A N LEU 162.A O no hydrogen 2.972 N/A ARG 119.A N GLN 104.A O no hydrogen 2.751 N/A ARG 119.A NH1 GLN 104.A OE1 no hydrogen 2.875 N/A ARG 119.A NH1 LEU 561.A O no hydrogen 3.412 N/A ARG 119.A NH2 LEU 561.A O no hydrogen 3.443 N/A ILE 120.A N LEU 160.A O no hydrogen 2.768 N/A PHE 121.A N PHE 102.A O no hydrogen 2.765 N/A THR 122.A N GLY 158.A O no hydrogen 3.064 N/A THR 122.A OG1 VAL 130.A O no hydrogen 2.672 N/A THR 122.A OG1 SER 153.A OG no hydrogen 2.809 N/A VAL 123.A N TYR 100.A O no hydrogen 3.075 N/A ASN 124.A N LEU 128.A O no hydrogen 2.631 N/A HIS 125.A NE2 GLN 97.A O no hydrogen 2.808 N/A LYS 126.A N ASN 124.A OD1 no hydrogen 2.732 N/A LEU 127.A N ASN 124.A O no hydrogen 2.884 N/A LEU 128.A N ASN 124.A OD1 no hydrogen 3.042 N/A VAL 130.A N THR 122.A O no hydrogen 3.161 N/A ARG 132.A N SER 153.A OG no hydrogen 3.171 N/A VAL 134.A N LEU 151.A O no hydrogen 2.638 N/A MET 135.A N TYR 180.A O no hydrogen 2.796 N/A VAL 136.A N ASP 149.A O no hydrogen 2.800 N/A ASN 137.A N ARG 178.A O no hydrogen 2.810 N/A ILE 138.A N LYS 147.A O no hydrogen 2.821 N/A GLU 139.A N LYS 176.A O no hydrogen 2.858 N/A ASN 140.A N ILE 144.A O no hydrogen 3.002 N/A GLY 143.A N ASN 140.A O no hydrogen 2.643 N/A ILE 144.A N ASN 140.A OD1 no hydrogen 2.881 N/A VAL 146.A N ILE 138.A O no hydrogen 2.767 N/A LYS 147.A N ILE 138.A O no hydrogen 3.460 N/A LYS 147.A NZ TYR 118.A OH no hydrogen 2.792 N/A LYS 147.A NZ ASP 149.A OD2 no hydrogen 2.784 N/A LYS 147.A NZ SER 163.A O no hydrogen 2.906 N/A ASP 149.A N VAL 136.A O no hydrogen 2.792 N/A LEU 151.A N VAL 134.A O no hydrogen 2.890 N/A SER 153.A N ARG 132.A O no hydrogen 2.951 N/A SER 153.A OG THR 122.A OG1 no hydrogen 2.809 N/A SER 153.A OG VAL 130.A O no hydrogen 2.904 N/A SER 153.A OG ARG 132.A O no hydrogen 3.335 N/A GLN 154.A N SER 152.A OG no hydrogen 3.265 N/A GLN 156.A N SER 153.A O no hydrogen 2.958 N/A GLN 156.A NE2 GLN 154.A O no hydrogen 3.670 N/A VAL 159.A N GLN 156.A O no hydrogen 3.316 N/A LEU 160.A N ILE 120.A O no hydrogen 2.841 N/A LEU 162.A N TYR 118.A O no hydrogen 2.711 N/A TRP 164.A N VAL 116.A O no hydrogen 2.829 N/A ILE 166.A N SER 114.A O no hydrogen 2.771 N/A GLY 173.A N VAL 195.A O no hydrogen 3.020 N/A GLN 174.A NE2 GLU 192.A OE2 no hydrogen 3.454 N/A TRP 175.A N PHE 193.A O no hydrogen 2.732 N/A TRP 175.A NE1 ASN 171.A O no hydrogen 2.908 N/A LYS 176.A N GLU 139.A O no hydrogen 3.129 N/A ILE 177.A N THR 191.A O no hydrogen 3.041 N/A ARG 178.A N ASN 137.A O no hydrogen 2.924 N/A ARG 178.A NE SER 190.A OG no hydrogen 2.651 N/A ARG 178.A NH2 SER 190.A OG no hydrogen 2.981 N/A ALA 179.A N PHE 189.A O no hydrogen 2.713 N/A TYR 180.A N MET 135.A O no hydrogen 2.949 N/A TYR 181.A OH TYR 100.A O no hydrogen 3.199 N/A TYR 181.A OH VAL 123.A O no hydrogen 2.855 N/A GLU 182.A N THR 133.A O no hydrogen 2.868 N/A SER 184.A N TYR 181.A O no hydrogen 3.183 N/A SER 184.A OG LEU 96.A O no hydrogen 2.449 N/A SER 184.A OG SER 98.A OG no hydrogen 3.180 N/A GLN 186.A N GLN 186.A OE1 no hydrogen 2.958 N/A GLN 187.A N SER 184.A O no hydrogen 3.302 N/A PHE 189.A N ALA 179.A O no hydrogen 2.839 N/A THR 191.A N ILE 177.A O no hydrogen 2.843 N/A GLU 192.A N THR 191.A OG1 no hydrogen 2.827 N/A PHE 193.A N TRP 175.A O no hydrogen 2.923 N/A GLU 194.A N THR 108.A O no hydrogen 3.129 N/A VAL 195.A N GLY 173.A O no hydrogen 2.940 N/A LYS 196.A N TYR 110.A O no hydrogen 2.950 N/A TYR 198.A OH ILE 109.A O no hydrogen 3.116 N/A SER 202.A N ASP 306.A OD2 no hydrogen 2.780 N/A SER 202.A OG ASP 306.A OD2 no hydrogen 2.911 N/A GLU 204.A N ARG 229.A O no hydrogen 2.814 N/A ILE 206.A N THR 227.A O no hydrogen 2.749 N/A GLU 208.A N THR 225.A O no hydrogen 2.906 N/A THR 210.A N GLU 223.A O no hydrogen 2.942 N/A LYS 212.A NZ GLU 208.A OE2 no hydrogen 2.697 N/A LYS 212.A NZ PRO 209.A O no hydrogen 2.600 N/A TYR 214.A N PRO 316.A O no hydrogen 2.847 N/A TYR 214.A OH ASN 218.A O no hydrogen 2.962 N/A ILE 216.A N VAL 318.A O no hydrogen 3.239 N/A TYR 217.A OH GLU 286.A OE2 no hydrogen 2.574 N/A ASN 218.A N TYR 215.A O no hydrogen 2.881 N/A LYS 220.A N ASN 218.A OD1 no hydrogen 3.129 N/A GLY 221.A N ASN 218.A O no hydrogen 3.124 N/A LEU 222.A N LEU 273.A O no hydrogen 2.946 N/A VAL 224.A N VAL 271.A O no hydrogen 2.804 N/A THR 225.A N GLU 208.A O no hydrogen 2.775 N/A ILE 226.A N GLY 269.A O no hydrogen 2.805 N/A THR 227.A N ILE 206.A O no hydrogen 2.936 N/A ALA 228.A N GLY 267.A O no hydrogen 2.802 N/A ARG 229.A N GLU 204.A O no hydrogen 3.174 N/A PHE 230.A N LYS 234.A O no hydrogen 2.885 N/A LEU 231.A N SER 202.A O no hydrogen 3.033 N/A GLY 233.A N PHE 230.A O no hydrogen 2.910 N/A VAL 236.A N ALA 228.A O no hydrogen 3.434 N/A GLY 238.A N ILE 264.A O no hydrogen 3.099 N/A THR 239.A N ILE 300.A O no hydrogen 2.971 N/A ALA 240.A N ILE 262.A O no hydrogen 2.883 N/A PHE 241.A N THR 298.A O no hydrogen 2.696 N/A VAL 242.A N LYS 260.A O no hydrogen 2.861 N/A ILE 243.A N SER 296.A O no hydrogen 2.884 N/A PHE 244.A N SER 258.A OG no hydrogen 2.943 N/A GLY 245.A N TYR 294.A O no hydrogen 3.094 N/A ILE 246.A N ILE 253.A O no hydrogen 2.676 N/A GLN 247.A N SER 292.A O no hydrogen 2.636 N/A ASP 248.A N GLN 251.A O no hydrogen 3.157 N/A ARG 252.A NH1 GLU 311.A OE2 no hydrogen 2.651 N/A ARG 252.A NH2 GLU 311.A OE1 no hydrogen 3.312 N/A ARG 252.A NH2 GLU 311.A OE2 no hydrogen 2.732 N/A ILE 253.A N ILE 246.A O no hydrogen 2.737 N/A LEU 255.A N PHE 244.A O no hydrogen 3.186 N/A SER 258.A N LEU 255.A O no hydrogen 2.904 N/A SER 258.A OG PHE 244.A O no hydrogen 3.477 N/A SER 258.A OG LEU 255.A O no hydrogen 2.503 N/A LEU 259.A N PRO 256.A O no hydrogen 3.211 N/A LYS 260.A N VAL 242.A O no hydrogen 2.858 N/A ILE 262.A N ALA 240.A O no hydrogen 3.005 N/A ILE 264.A N GLY 238.A O no hydrogen 2.930 N/A GLU 265.A N SER 268.A O no hydrogen 3.012 N/A GLY 267.A N VAL 236.A O no hydrogen 2.951 N/A SER 268.A N GLU 265.A O no hydrogen 2.889 N/A GLY 269.A N ILE 226.A O no hydrogen 2.829 N/A VAL 271.A N VAL 224.A O no hydrogen 2.987 N/A LEU 273.A N LEU 222.A O no hydrogen 2.818 N/A ARG 275.A NE ILE 216.A O no hydrogen 2.853 N/A ARG 275.A NH2 ILE 216.A O no hydrogen 2.922 N/A VAL 277.A N SER 274.A OG no hydrogen 3.118 N/A LEU 278.A N SER 274.A O no hydrogen 3.143 N/A LEU 279.A N ARG 275.A O no hydrogen 3.129 N/A ASP 280.A N LYS 276.A O no hydrogen 2.738 N/A GLY 281.A N VAL 277.A O no hydrogen 3.094 N/A VAL 282.A N LEU 279.A O no hydrogen 3.205 N/A ARG 284.A NH2 GLU 286.A OE1 no hydrogen 3.356 N/A GLU 286.A N GLU 286.A OE1 no hydrogen 2.801 N/A LEU 288.A N ALA 285.A O no hydrogen 3.435 N/A VAL 289.A N GLU 286.A O no hydrogen 2.773 N/A GLY 290.A N ILE 317.A O no hydrogen 3.082 N/A LYS 291.A N LEU 288.A O no hydrogen 2.855 N/A SER 292.A N GLN 247.A O no hydrogen 2.997 N/A SER 292.A OG GLN 247.A O no hydrogen 3.497 N/A LEU 293.A N ILE 315.A O no hydrogen 2.742 N/A TYR 294.A N GLY 245.A O no hydrogen 3.123 N/A VAL 295.A N ARG 312.A O no hydrogen 2.820 N/A SER 296.A N ILE 243.A O no hydrogen 2.855 N/A ALA 297.A N ALA 310.A O no hydrogen 2.852 N/A THR 298.A N PHE 241.A O no hydrogen 2.765 N/A VAL 299.A N VAL 308.A O no hydrogen 2.730 N/A ILE 300.A N THR 239.A O no hydrogen 2.807 N/A LEU 301.A N ASP 306.A O no hydrogen 3.180 N/A HIS 302.A N GLU 237.A O no hydrogen 3.258 N/A GLY 304.A N LEU 301.A O no hydrogen 2.730 N/A MET 307.A N ASP 306.A OD1 no hydrogen 2.994 N/A VAL 308.A N VAL 299.A O no hydrogen 2.951 N/A ALA 310.A N ALA 297.A O no hydrogen 2.764 N/A ARG 312.A N VAL 295.A O no hydrogen 2.809 N/A ARG 312.A NH1 GLU 208.A OE1 no hydrogen 2.609 N/A ARG 312.A NH2 GLU 208.A OE1 no hydrogen 3.128 N/A ARG 312.A NH2 GLU 208.A OE2 no hydrogen 2.693 N/A SER 313.A OG GLU 311.A OE1 no hydrogen 3.315 N/A ILE 315.A N LEU 293.A O no hydrogen 3.018 N/A ILE 317.A N LYS 291.A O no hydrogen 2.993 N/A VAL 318.A N TYR 214.A O no hydrogen 2.997 N/A SER 320.A OG TYR 322.A O no hydrogen 3.447 N/A SER 320.A OG GLU 404.A O no hydrogen 2.717 N/A GLN 323.A N THR 346.A O no hydrogen 2.990 N/A HIS 325.A N PHE 344.A O no hydrogen 2.738 N/A HIS 325.A NE2 THR 346.A OG1 no hydrogen 2.769 N/A THR 329.A N PHE 326.A O no hydrogen 3.347 N/A THR 329.A OG1 MET 342.A O no hydrogen 2.760 N/A LYS 331.A NZ PHE 326.A O no hydrogen 2.714 N/A LYS 331.A NZ THR 329.A O no hydrogen 2.401 N/A PHE 333.A N LEU 413.A O no hydrogen 2.898 N/A LYS 334.A NZ HIS 426.A ND1 no hydrogen 2.888 N/A LYS 334.A NZ ASP 518.A OD1 no hydrogen 3.562 N/A LYS 334.A NZ ASP 518.A OD2 no hydrogen 3.415 N/A MET 337.A N LYS 334.A O no hydrogen 2.962 N/A PHE 339.A N ILE 380.A O no hydrogen 2.669 N/A LEU 341.A N LEU 378.A O no hydrogen 2.814 N/A VAL 343.A N ALA 376.A O no hydrogen 2.995 N/A PHE 344.A N HIS 325.A O no hydrogen 3.118 N/A VAL 345.A N GLY 374.A O no hydrogen 2.947 N/A THR 346.A N GLN 323.A O no hydrogen 3.039 N/A THR 346.A OG1 GLN 323.A OE1 no hydrogen 3.537 N/A THR 346.A OG1 HIS 325.A NE2 no hydrogen 2.769 N/A ASN 347.A N SER 351.A O no hydrogen 2.710 N/A ASN 347.A ND2 SER 351.A OG no hydrogen 3.210 N/A GLY 350.A N ASN 347.A O no hydrogen 2.899 N/A SER 351.A N ASP 349.A OD1 no hydrogen 2.554 N/A SER 351.A OG ASP 349.A OD1 no hydrogen 2.692 N/A SER 351.A OG ASP 349.A OD2 no hydrogen 3.208 N/A ALA 353.A N VAL 345.A O no hydrogen 2.759 N/A ARG 355.A N THR 370.A O no hydrogen 3.389 N/A VAL 356.A N THR 370.A OG1 no hydrogen 2.955 N/A VAL 358.A N SER 368.A O no hydrogen 2.966 N/A ALA 359.A N ARG 394.A O no hydrogen 3.048 N/A GLN 361.A N THR 392.A O no hydrogen 2.717 N/A THR 365.A OG1 THR 365.A O no hydrogen 2.606 N/A VAL 366.A N ASP 364.A O no hydrogen 2.617 N/A GLN 367.A NE2 THR 365.A O no hydrogen 3.522 N/A SER 368.A N VAL 358.A O no hydrogen 3.007 N/A SER 368.A OG LYS 377.A O no hydrogen 3.390 N/A THR 370.A N VAL 356.A O no hydrogen 3.232 N/A THR 370.A OG1 ALA 353.A O no hydrogen 2.970 N/A GLN 371.A N VAL 375.A O no hydrogen 2.818 N/A GLY 374.A N GLN 371.A O no hydrogen 2.952 N/A ALA 376.A N VAL 343.A O no hydrogen 2.961 N/A LYS 377.A NZ ASP 340.A OD2 no hydrogen 2.630 N/A LEU 378.A N LEU 341.A O no hydrogen 3.125 N/A SER 379.A OG ASP 340.A OD1 no hydrogen 2.765 N/A ILE 380.A N PHE 339.A O no hydrogen 3.054 N/A THR 382.A OG1 LYS 334.A O no hydrogen 3.368 N/A THR 382.A OG1 MET 337.A O no hydrogen 2.514 N/A SER 385.A N HIS 383.A O no hydrogen 2.769 N/A GLN 386.A NE2 TYR 424.A OH no hydrogen 3.418 N/A LEU 389.A N ALA 412.A O no hydrogen 2.864 N/A ILE 391.A N MET 410.A O no hydrogen 2.876 N/A THR 392.A OG1 THR 409.A OG1 no hydrogen 2.969 N/A VAL 393.A N ARG 408.A O no hydrogen 3.122 N/A ARG 394.A N ALA 359.A O no hydrogen 2.962 N/A ARG 394.A NH2 GLU 402.A O no hydrogen 3.098 N/A THR 395.A N ALA 406.A O no hydrogen 2.934 N/A LYS 396.A N PRO 357.A O no hydrogen 2.820 N/A LYS 396.A NZ ASP 364.A OD1 no hydrogen 3.513 N/A LYS 396.A NZ ASP 364.A OD2 no hydrogen 3.128 N/A LYS 397.A N GLN 405.A OE1 no hydrogen 3.015 N/A GLU 404.A N SER 401.A O no hydrogen 2.802 N/A GLN 405.A N SER 401.A O no hydrogen 3.155 N/A GLN 405.A N GLU 402.A O no hydrogen 3.384 N/A GLN 405.A NE2 LYS 397.A O no hydrogen 2.619 N/A ARG 408.A N VAL 393.A O no hydrogen 3.183 N/A THR 409.A OG1 THR 392.A OG1 no hydrogen 2.969 N/A MET 410.A N ILE 391.A O no hydrogen 2.876 N/A ALA 412.A N LEU 389.A O no hydrogen 2.867 N/A LEU 413.A N LYS 331.A O no hydrogen 3.131 N/A TYR 415.A N PHE 333.A O no hydrogen 2.779 N/A SER 416.A N LYS 599.A O no hydrogen 2.976 N/A SER 416.A OG LYS 599.A O no hydrogen 3.443 N/A SER 421.A OG GLU 514.A OE2 no hydrogen 3.048 N/A ASN 423.A ND2 GLU 514.A OE1 no hydrogen 2.835 N/A ASN 423.A ND2 GLU 514.A OE2 no hydrogen 3.179 N/A TYR 424.A N ARG 447.A O no hydrogen 2.846 N/A HIS 426.A N LEU 445.A O no hydrogen 3.010 N/A LEU 427.A N ASP 518.A OD2 no hydrogen 2.781 N/A SER 428.A N ASN 443.A O no hydrogen 3.138 N/A ARG 431.A NH2 SER 368.A OG no hydrogen 2.664 N/A ARG 431.A NH2 LEU 369.A O no hydrogen 2.998 N/A ARG 435.A N GLU 438.A OE2 no hydrogen 3.301 N/A ARG 435.A NH1 GLU 433.A OE2 no hydrogen 2.778 N/A GLY 437.A N ILE 490.A O no hydrogen 2.570 N/A LEU 440.A N LEU 488.A O no hydrogen 2.839 N/A VAL 442.A N LEU 486.A O no hydrogen 2.811 N/A ASN 443.A N SER 428.A O no hydrogen 2.979 N/A ASN 443.A ND2 SER 428.A O no hydrogen 3.099 N/A PHE 444.A N VAL 484.A O no hydrogen 3.044 N/A LEU 445.A N HIS 426.A O no hydrogen 2.836 N/A LEU 446.A N ASP 482.A O no hydrogen 3.320 N/A ARG 447.A N TYR 424.A O no hydrogen 3.203 N/A ARG 447.A NE PRO 335.A O no hydrogen 3.300 N/A ARG 447.A NH2 PRO 335.A O no hydrogen 3.331 N/A HIS 452.A N ASP 449.A O no hydrogen 2.996 N/A GLU 453.A N ASP 449.A O no hydrogen 2.967 N/A LYS 455.A N HIS 452.A O no hydrogen 3.434 N/A LYS 455.A NZ HIS 452.A ND1 no hydrogen 3.058 N/A LYS 455.A NZ ILE 507.A O no hydrogen 3.296 N/A ILE 456.A N GLU 453.A O no hydrogen 3.436 N/A TYR 458.A OH HIS 24.A ND1 no hydrogen 2.569 N/A TYR 459.A N GLN 475.A O no hydrogen 2.877 N/A THR 460.A N TYR 503.A O no hydrogen 2.895 N/A THR 460.A OG1 GLU 22.A OE1 no hydrogen 2.473 N/A TYR 461.A N GLY 473.A O no hydrogen 3.139 N/A ILE 463.A N LYS 471.A O no hydrogen 2.818 N/A MET 464.A N ARG 499.A O no hydrogen 3.062 N/A ASN 465.A N ARG 468.A O no hydrogen 2.952 N/A ASN 465.A ND2 SER 497.A O no hydrogen 2.779 N/A LYS 466.A NZ ASN 465.A OD1 no hydrogen 3.109 N/A LYS 466.A NZ ASP 493.A O no hydrogen 3.547 N/A LYS 466.A NZ ILE 495.A O no hydrogen 3.122 N/A ARG 468.A N ASN 465.A O no hydrogen 3.290 N/A LEU 470.A N ILE 463.A O no hydrogen 2.662 N/A GLY 473.A N TYR 461.A O no hydrogen 3.397 N/A GLN 475.A N TYR 459.A O no hydrogen 2.778 N/A GLN 475.A NE2 VAL 476.A O no hydrogen 3.234 N/A ARG 477.A N ARG 457.A O no hydrogen 3.091 N/A ARG 477.A NE GLN 481.A O no hydrogen 3.163 N/A ARG 477.A NH1 GLU 453.A O no hydrogen 2.833 N/A ARG 477.A NH1 GLU 453.A OE2 no hydrogen 3.491 N/A ARG 477.A NH1 ILE 456.A O no hydrogen 2.980 N/A ARG 477.A NH2 GLU 453.A OE2 no hydrogen 2.745 N/A ARG 477.A NH2 GLN 481.A O no hydrogen 3.301 N/A GLY 480.A N GLU 453.A OE2 no hydrogen 2.889 N/A GLN 481.A N GLU 478.A O no hydrogen 3.280 N/A VAL 484.A N PHE 444.A O no hydrogen 3.298 N/A LEU 486.A N VAL 442.A O no hydrogen 2.867 N/A LEU 488.A N LEU 440.A O no hydrogen 2.854 N/A ILE 490.A N GLU 438.A O no hydrogen 2.821 N/A ASP 493.A N THR 491.A OG1 no hydrogen 3.285 N/A PHE 494.A N THR 491.A O no hydrogen 3.065 N/A ILE 495.A N THR 492.A O no hydrogen 3.272 N/A SER 497.A OG GLU 587.A OE1 no hydrogen 2.820 N/A SER 497.A OG GLU 587.A OE2 no hydrogen 2.828 N/A PHE 498.A N VAL 522.A O no hydrogen 2.932 N/A ARG 499.A N MET 464.A O no hydrogen 3.053 N/A ARG 499.A NE THR 594.A O no hydrogen 2.815 N/A ARG 499.A NH1 ASP 590.A OD2 no hydrogen 3.268 N/A ARG 499.A NH2 THR 594.A O no hydrogen 2.812 N/A LEU 500.A N VAL 520.A O no hydrogen 2.814 N/A VAL 501.A N LEU 462.A O no hydrogen 3.062 N/A ALA 502.A N ASP 518.A O no hydrogen 2.902 N/A TYR 503.A N THR 460.A O no hydrogen 2.842 N/A TYR 503.A OH SER 4.A OG no hydrogen 3.170 N/A TYR 503.A OH GLU 22.A OE2 no hydrogen 2.644 N/A TYR 503.A OH HIS 24.A NE2 no hydrogen 3.151 N/A TYR 504.A N VAL 516.A O no hydrogen 3.014 N/A THR 505.A OG1 GLU 514.A O no hydrogen 2.680 N/A LEU 506.A N GLU 514.A O no hydrogen 3.145 N/A GLU 514.A N LEU 506.A O no hydrogen 2.834 N/A VAL 516.A N TYR 504.A O no hydrogen 2.940 N/A ALA 517.A N TYR 415.A OH no hydrogen 3.237 N/A ASP 518.A N ALA 502.A O no hydrogen 3.018 N/A VAL 520.A N LEU 500.A O no hydrogen 2.841 N/A VAL 522.A N PHE 498.A O no hydrogen 2.786 N/A VAL 524.A N PRO 496.A O no hydrogen 3.156 N/A LYS 525.A N LEU 434.A O no hydrogen 2.796 N/A SER 527.A OG CYS 528.A O no hydrogen 3.031 N/A SER 531.A N ASP 554.A OD1 no hydrogen 3.202 N/A VAL 533.A N GLU 552.A O no hydrogen 2.729 N/A LYS 535.A N LYS 550.A O no hydrogen 2.865 N/A SER 536.A OG GLN 538.A O no hydrogen 3.221 N/A GLY 537.A N THR 548.A O no hydrogen 3.102 N/A VAL 542.A N GLN 545.A OE1 no hydrogen 2.955 N/A GLN 545.A N VAL 542.A O no hydrogen 3.205 N/A LYS 550.A N LYS 535.A O no hydrogen 2.713 N/A GLU 552.A N VAL 533.A O no hydrogen 2.863 N/A ALA 557.A N ASP 554.A O no hydrogen 3.320 N/A GLY 567.A N ASP 565.A OD1 no hydrogen 2.820 N/A VAL 568.A N ASP 565.A O no hydrogen 2.985 N/A PHE 569.A N LYS 566.A O no hydrogen 3.156 N/A VAL 570.A N LYS 566.A O no hydrogen 3.445 N/A LEU 571.A N VAL 568.A O no hydrogen 3.210 N/A ASN 572.A N VAL 568.A O no hydrogen 3.060 N/A ASN 572.A ND2 GLU 194.A OE1 no hydrogen 2.681 N/A LYS 574.A N ASN 572.A OD1 no hydrogen 2.914 N/A ASN 575.A ND2 GLU 192.A OE2 no hydrogen 3.472 N/A LYS 581.A N THR 578.A OG1 no hydrogen 3.131 N/A LYS 581.A NZ LYS 576.A O no hydrogen 3.007 N/A ILE 582.A N THR 578.A O no hydrogen 3.286 N/A TRP 583.A N GLN 579.A O no hydrogen 3.263 N/A TRP 583.A NE1 SER 527.A O no hydrogen 2.925 N/A ASP 584.A N SER 580.A O no hydrogen 3.119 N/A VAL 585.A N LYS 581.A O no hydrogen 3.246 N/A VAL 586.A N ILE 582.A O no hydrogen 3.107 N/A GLU 587.A N TRP 583.A O no hydrogen 2.858 N/A LYS 588.A N ASP 584.A O no hydrogen 3.058 N/A ALA 589.A N VAL 586.A O no hydrogen 3.167 N/A ASP 590.A N GLU 587.A O no hydrogen 3.212 N/A CYS 593.A N ASP 607.A O no hydrogen 2.652 N/A CYS 593.A SG ILE 591.A O no hydrogen 3.401 N/A THR 594.A N ASP 607.A O no hydrogen 3.405 N/A SER 597.A N SER 519.A O no hydrogen 3.215 N/A SER 597.A N SER 519.A OG no hydrogen 2.953 N/A SER 597.A OG ASP 518.A OD1 no hydrogen 3.533 N/A GLY 603.A N ASP 600.A OD1 no hydrogen 2.951 N/A VAL 604.A N ASP 600.A O no hydrogen 2.916 N/A PHE 605.A N TYR 601.A O no hydrogen 3.256 N/A SER 606.A N ALA 602.A O no hydrogen 3.014 N/A SER 606.A OG ASP 607.A OD1 no hydrogen 3.502 N/A ASP 607.A N GLY 603.A O no hydrogen 3.255 N/A ALA 608.A N VAL 604.A O no hydrogen 3.315 N/A GLY 609.A N SER 606.A O no hydrogen 2.915 N/A LEU 610.A N PHE 605.A O no hydrogen 2.825 N/A THR 611.A N THR 7.A O no hydrogen 2.657 N/A THR 611.A OG1 THR 7.A O no hydrogen 2.726 N/A THR 611.A OG1 THR 7.A OG1 no hydrogen 2.753 N/A PHE 612.A N THR 620.A OG1 no hydrogen 2.791 N/A THR 613.A N ILE 5.A O no hydrogen 3.325 N/A SER 614.A N GLN 618.A O no hydrogen 3.046 N/A SER 614.A OG GLN 618.A O no hydrogen 2.919 N/A SER 614.A OG GLN 618.A OE1 no hydrogen 2.870 N/A SER 615.A N TYR 3.A O no hydrogen 2.689 N/A SER 615.A OG TYR 3.A O no hydrogen 3.552 N/A SER 616.A OG GLN 618.A OE1 no hydrogen 2.935 N/A GLN 619.A N TYR 601.A OH no hydrogen 3.247 N/A THR 620.A N PHE 612.A O no hydrogen 2.802 N/A THR 620.A OG1 PHE 612.A O no hydrogen 3.099 N/A ARG 623.A NE GLU 625.A O no hydrogen 2.587 N/A ARG 623.A NH1 ASN 9.A OD1 no hydrogen 2.910 N/A ARG 623.A NH1 ILE 591.A O no hydrogen 3.062 N/A ARG 623.A NH2 GLU 625.A O no hydrogen 3.354 N/A ALA 624.A N GLU 625.A OE2 no hydrogen 2.909 N/A