Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k5l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 GLU 130.A OE2 no hydrogen 2.853 N/A MET 4.A N GLY 131.A O no hydrogen 3.209 N/A GLN 6.A N VAL 129.A O no hydrogen 2.751 N/A GLY 8.A N VAL 127.A O no hydrogen 2.826 N/A PHE 9.A N ALA 29.A O no hydrogen 2.872 N/A ILE 10.A N SER 125.A O no hydrogen 2.824 N/A LEU 11.A N TRP 27.A O no hydrogen 2.644 N/A HIS 14.A N SER 25.A O no hydrogen 2.898 N/A ARG 16.A N GLU 23.A O no hydrogen 3.085 N/A THR 18.A OG1 GLY 21.A O no hydrogen 2.552 N/A GLY 21.A N THR 18.A OG1 no hydrogen 3.034 N/A THR 22.A OG1 ASP 17.A OD1 no hydrogen 2.521 N/A THR 22.A OG1 ARG 87.A O no hydrogen 3.270 N/A GLU 23.A N ARG 16.A O no hydrogen 2.842 N/A SER 25.A N HIS 14.A O no hydrogen 3.011 N/A PHE 26.A N VAL 37.A O no hydrogen 2.798 N/A TRP 27.A N THR 12.A O no hydrogen 2.993 N/A LEU 28.A N LEU 35.A O no hydrogen 2.802 N/A ALA 29.A N PHE 9.A O no hydrogen 2.741 N/A THR 30.A N GLY 33.A O no hydrogen 3.037 N/A THR 30.A OG1 GLY 33.A O no hydrogen 2.360 N/A ASN 32.A N THR 30.A OG1 no hydrogen 3.039 N/A GLY 33.A N THR 30.A O no hydrogen 3.134 N/A LEU 35.A N LEU 28.A O no hydrogen 2.827 N/A VAL 37.A N PHE 26.A O no hydrogen 2.952 N/A THR 38.A N ILE 138.A O no hydrogen 2.991 N/A LEU 39.A N VAL 24.A O no hydrogen 2.926 N/A GLN 42.A N THR 22.A O no hydrogen 3.122 N/A GLN 42.A NE2 ALA 40.A O no hydrogen 2.621 N/A SER 44.A N CYS 86.A O no hydrogen 2.685 N/A SER 44.A OG HIS 89.A ND1 no hydrogen 3.126 N/A ALA 46.A N LEU 84.A O no hydrogen 2.968 N/A PHE 47.A N TYR 107.A O no hydrogen 3.210 N/A ILE 48.A N TYR 82.A O no hydrogen 2.989 N/A ALA 50.A N PRO 80.A O no hydrogen 2.559 N/A GLN 52.A N PRO 49.A O no hydrogen 3.080 N/A VAL 53.A N ALA 50.A O no hydrogen 3.405 N/A ARG 55.A NH1 GLY 102.A O no hydrogen 2.738 N/A ALA 56.A N GLN 52.A O no hydrogen 2.864 N/A GLN 57.A N VAL 53.A O no hydrogen 2.855 N/A HIS 58.A N ARG 55.A O no hydrogen 3.061 N/A ILE 59.A N ARG 55.A O no hydrogen 3.268 N/A LEU 60.A N ALA 56.A O no hydrogen 3.337 N/A GLN 61.A N HIS 58.A O no hydrogen 3.139 N/A GLU 63.A N LEU 60.A O no hydrogen 2.876 N/A ARG 67.A N TYR 85.A O no hydrogen 2.803 N/A ARG 67.A NH2 GLU 43.A OE1 no hydrogen 2.682 N/A THR 69.A N GLY 83.A O no hydrogen 2.761 N/A LYS 74.A N GLY 388.A O no hydrogen 2.821 N/A ASP 75.A N GLN 79.A O no hydrogen 2.971 N/A HIS 77.A N ASP 75.A OD2 no hydrogen 3.234 N/A ARG 78.A N ASP 75.A O no hydrogen 3.004 N/A GLN 79.A N ASP 75.A OD1 no hydrogen 2.885 N/A VAL 81.A N LEU 73.A O no hydrogen 2.973 N/A TYR 82.A N ILE 48.A O no hydrogen 2.452 N/A GLY 83.A N THR 69.A O no hydrogen 2.492 N/A LEU 84.A N ALA 46.A O no hydrogen 2.768 N/A TYR 85.A N ARG 67.A O no hydrogen 2.758 N/A CYS 86.A N SER 44.A O no hydrogen 2.927 N/A ARG 87.A N GLY 65.A O no hydrogen 3.161 N/A ALA 88.A N GLN 91.A OE1 no hydrogen 2.996 N/A HIS 89.A N ASP 17.A OD1 no hydrogen 3.046 N/A HIS 89.A ND1 SER 44.A OG no hydrogen 3.126 N/A ARG 90.A N ASP 17.A OD2 no hydrogen 3.160 N/A GLN 91.A NE2 GLY 65.A O no hydrogen 3.079 N/A GLN 91.A NE2 TYR 95.A OH no hydrogen 3.164 N/A LEU 92.A N ALA 88.A O no hydrogen 3.282 N/A LEU 92.A N HIS 89.A O no hydrogen 2.985 N/A MET 93.A N HIS 89.A O no hydrogen 3.222 N/A MET 93.A N ARG 90.A O no hydrogen 3.122 N/A ASN 94.A N ARG 90.A O no hydrogen 3.094 N/A TYR 95.A N GLN 91.A O no hydrogen 3.031 N/A GLU 96.A N LEU 92.A O no hydrogen 2.802 N/A LYS 97.A N MET 93.A O no hydrogen 3.133 N/A ARG 98.A N ASN 94.A O no hydrogen 3.176 N/A ARG 98.A NH2 GLU 63.A OE2 no hydrogen 3.445 N/A LEU 99.A N TYR 95.A O no hydrogen 3.044 N/A ARG 100.A N GLU 96.A O no hydrogen 3.128 N/A GLU 101.A N LYS 97.A O no hydrogen 3.271 N/A GLY 102.A N ARG 98.A O no hydrogen 2.721 N/A GLY 103.A N ARG 100.A O no hydrogen 3.061 N/A VAL 104.A N LEU 99.A O no hydrogen 2.658 N/A THR 105.A N GLN 52.A OE1 no hydrogen 2.689 N/A TYR 107.A N PHE 47.A O no hydrogen 2.706 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.535 N/A ARG 116.A N ARG 112.A O no hydrogen 2.882 N/A ARG 116.A NH1 GLU 108.A OE1 no hydrogen 2.833 N/A ARG 116.A NH2 VAL 45.A O no hydrogen 2.539 N/A ARG 116.A NH2 GLU 108.A O no hydrogen 2.995 N/A TYR 117.A N PRO 113.A O no hydrogen 3.267 N/A LEU 118.A N PRO 114.A O no hydrogen 3.188 N/A MET 119.A N GLU 115.A O no hydrogen 3.086 N/A ARG 121.A N LEU 118.A O no hydrogen 3.309 N/A ARG 121.A NE LEU 143.A O no hydrogen 2.965 N/A ILE 123.A N LEU 118.A O no hydrogen 2.873 N/A THR 124.A OG1 THR 360.A O no hydrogen 2.328 N/A VAL 127.A N GLY 8.A O no hydrogen 2.897 N/A TRP 128.A N LYS 144.A O no hydrogen 3.136 N/A VAL 129.A N GLN 6.A O no hydrogen 2.488 N/A GLU 130.A N ARG 142.A O no hydrogen 3.025 N/A ASP 132.A N VAL 139.A O no hydrogen 2.841 N/A MET 133.A N PRO 2.A O no hydrogen 2.231 N/A HIS 134.A N THR 137.A O no hydrogen 2.679 N/A THR 137.A N HIS 134.A O no hydrogen 3.143 N/A THR 137.A OG1 HIS 134.A O no hydrogen 2.446 N/A ILE 138.A N GLN 36.A O no hydrogen 2.967 N/A VAL 139.A N ASP 132.A O no hydrogen 2.809 N/A ASN 140.A ND2 ASP 132.A OD2 no hydrogen 3.049 N/A ALA 141.A N THR 38.A O no hydrogen 3.208 N/A ARG 142.A N GLU 130.A O no hydrogen 2.788 N/A LEU 143.A N TYR 117.A OH no hydrogen 2.792 N/A LYS 144.A N TRP 128.A O no hydrogen 3.272 N/A HIS 146.A N PRO 126.A O no hydrogen 2.763 N/A TYR 149.A OH ASP 31.A OD1 no hydrogen 3.253 N/A ARG 150.A NE GLU 357.A OE1 no hydrogen 2.683 N/A ARG 150.A NH1 TYR 149.A O no hydrogen 2.646 N/A ARG 150.A NH2 GLU 357.A OE1 no hydrogen 2.294 N/A LYS 154.A N ASP 221.A OD2 no hydrogen 3.213 N/A VAL 156.A N VAL 222.A O no hydrogen 3.145 N/A SER 157.A N GLU 174.A O no hydrogen 2.735 N/A SER 157.A OG CYS 339.A O no hydrogen 2.995 N/A ILE 158.A N ILE 224.A O no hydrogen 2.863 N/A ASP 159.A N GLY 172.A O no hydrogen 3.338 N/A ILE 160.A N ASP 232.A OD1 no hydrogen 2.821 N/A GLU 161.A N CYS 170.A O no hydrogen 2.944 N/A THR 162.A OG1 THR 163.A O no hydrogen 3.328 N/A THR 163.A N GLU 167.A O no hydrogen 2.736 N/A ARG 164.A NH1 GLY 720.A O no hydrogen 3.452 N/A ARG 164.A NH2 ASP 318.A OD1 no hydrogen 2.828 N/A ARG 164.A NH2 ASP 321.A OD2 no hydrogen 2.734 N/A HIS 165.A N THR 163.A OG1 no hydrogen 3.370 N/A GLY 166.A N THR 163.A O no hydrogen 3.240 N/A GLU 167.A N THR 163.A OG1 no hydrogen 3.138 N/A LEU 168.A N HIS 239.A NE2 no hydrogen 3.180 N/A TYR 169.A N GLU 161.A O no hydrogen 2.630 N/A TYR 169.A OH ASP 321.A OD1 no hydrogen 2.320 N/A CYS 170.A N GLU 161.A O no hydrogen 3.119 N/A ILE 171.A N TYR 182.A O no hydrogen 2.988 N/A GLY 172.A N ASP 159.A O no hydrogen 2.893 N/A LEU 173.A N ILE 180.A O no hydrogen 2.664 N/A GLU 174.A N SER 157.A O no hydrogen 3.117 N/A GLY 175.A N GLN 178.A O no hydrogen 2.512 N/A CYS 176.A SG TYR 218.A O no hydrogen 3.293 N/A GLN 178.A N GLY 175.A O no hydrogen 2.640 N/A ARG 179.A NE GLU 340.A OE2 no hydrogen 2.760 N/A ARG 179.A NH2 GLU 340.A OE2 no hydrogen 3.340 N/A ILE 180.A N LEU 173.A O no hydrogen 2.778 N/A VAL 181.A N GLU 197.A O no hydrogen 3.026 N/A TYR 182.A N ILE 171.A O no hydrogen 2.630 N/A MET 183.A N GLU 199.A O no hydrogen 2.621 N/A LEU 184.A N TYR 169.A O no hydrogen 3.263 N/A GLY 185.A N VAL 201.A O no hydrogen 2.635 N/A ASN 188.A ND2 PHE 324.A O no hydrogen 3.694 N/A SER 192.A N ASP 190.A OD1 no hydrogen 2.861 N/A GLU 199.A N VAL 181.A O no hydrogen 2.986 N/A VAL 201.A N MET 183.A O no hydrogen 2.702 N/A ARG 204.A NH1 LEU 168.A O no hydrogen 2.798 N/A GLN 206.A N SER 203.A O no hydrogen 2.849 N/A LEU 207.A N ARG 204.A O no hydrogen 3.021 N/A GLU 209.A N PRO 205.A O no hydrogen 3.147 N/A LYS 210.A N GLN 206.A O no hydrogen 2.883 N/A LYS 210.A NZ GLU 199.A OE2 no hydrogen 3.495 N/A LEU 211.A N LEU 207.A O no hydrogen 2.786 N/A ASN 212.A N LEU 208.A O no hydrogen 3.062 N/A ALA 213.A N GLU 209.A O no hydrogen 3.119 N/A TRP 214.A N LYS 210.A O no hydrogen 3.101 N/A PHE 215.A N LEU 211.A O no hydrogen 3.218 N/A ALA 216.A N ASN 212.A O no hydrogen 3.217 N/A ASN 217.A N ALA 213.A O no hydrogen 2.988 N/A TYR 218.A N TRP 214.A O no hydrogen 2.861 N/A ASP 219.A N PHE 215.A O no hydrogen 3.046 N/A ASP 221.A N LYS 154.A O no hydrogen 2.859 N/A VAL 222.A N LYS 154.A O no hydrogen 2.974 N/A ILE 223.A N LEU 276.A O no hydrogen 2.559 N/A ILE 224.A N VAL 156.A O no hydrogen 2.977 N/A TRP 226.A NE1 PHE 294.A O no hydrogen 3.036 N/A ASN 227.A N ASP 279.A OD1 no hydrogen 2.435 N/A GLN 230.A NE2 PHE 268.A O no hydrogen 2.682 N/A PHE 231.A N ASN 227.A O no hydrogen 2.990 N/A LEU 233.A N VAL 228.A O no hydrogen 2.583 N/A MET 235.A N PHE 231.A O no hydrogen 2.862 N/A GLN 237.A N LEU 233.A O no hydrogen 3.163 N/A GLN 237.A NE2 GLU 241.A OE2 no hydrogen 3.441 N/A LYS 238.A N ARG 234.A O no hydrogen 3.066 N/A HIS 239.A N MET 235.A O no hydrogen 2.760 N/A HIS 239.A ND1 MET 235.A O no hydrogen 2.355 N/A ALA 240.A N LEU 236.A O no hydrogen 2.886 N/A GLU 241.A N GLN 237.A O no hydrogen 3.195 N/A ARG 242.A N LYS 238.A O no hydrogen 3.271 N/A ARG 242.A NH2 GLU 167.A OE2 no hydrogen 3.548 N/A TYR 243.A N HIS 239.A O no hydrogen 2.916 N/A ARG 244.A N GLU 241.A O no hydrogen 3.341 N/A ARG 244.A NE ARG 242.A O no hydrogen 3.625 N/A LEU 245.A N ALA 240.A O no hydrogen 2.623 N/A LEU 249.A N LEU 247.A O no hydrogen 3.142 N/A GLY 250.A N SER 254.A O no hydrogen 2.658 N/A ARG 251.A N LYS 273.A O no hydrogen 2.585 N/A ARG 251.A NE ASP 219.A OD1 no hydrogen 2.793 N/A ARG 251.A NH1 ASP 219.A O no hydrogen 3.156 N/A ARG 251.A NH1 ASP 219.A OD1 no hydrogen 3.017 N/A ARG 251.A NH1 ASP 221.A OD1 no hydrogen 2.877 N/A ARG 251.A NH2 ASP 221.A OD1 no hydrogen 3.079 N/A SER 254.A N GLY 250.A O no hydrogen 3.242 N/A SER 254.A OG GLU 255.A O no hydrogen 3.397 N/A LEU 256.A N LEU 247.A O no hydrogen 3.487 N/A GLU 257.A N GLN 271.A O no hydrogen 2.913 N/A ARG 259.A N PHE 269.A O no hydrogen 2.611 N/A PHE 268.A N GLN 230.A OE1 no hydrogen 3.356 N/A PHE 269.A N ARG 259.A O no hydrogen 3.465 N/A GLN 271.A N GLU 257.A O no hydrogen 2.917 N/A GLY 274.A N THR 12.A OG1 no hydrogen 2.850 N/A ARG 275.A N ALA 272.A O no hydrogen 3.425 N/A ARG 275.A NH1 LEU 249.A O no hydrogen 2.605 N/A ARG 275.A NH2 ASP 219.A OD1 no hydrogen 2.727 N/A LEU 276.A N ASP 221.A O no hydrogen 2.855 N/A ILE 277.A N ASP 367.A OD1 no hydrogen 3.068 N/A ILE 277.A N ASP 367.A OD2 no hydrogen 3.455 N/A ILE 278.A N ILE 223.A O no hydrogen 2.776 N/A GLY 280.A N GLY 225.A O no hydrogen 2.971 N/A GLU 282.A N ASP 279.A OD2 no hydrogen 3.183 N/A ALA 283.A N ASP 279.A O no hydrogen 3.296 N/A LEU 284.A N GLY 280.A O no hydrogen 3.042 N/A LYS 285.A N ILE 281.A O no hydrogen 3.288 N/A SER 286.A N GLU 282.A O no hydrogen 2.994 N/A ALA 287.A N LEU 284.A O no hydrogen 2.846 N/A PHE 288.A N LYS 285.A O no hydrogen 3.149 N/A TRP 289.A N LEU 284.A O no hydrogen 3.006 N/A ASN 290.A ND2 PHE 288.A O no hydrogen 3.535 N/A SER 293.A OG SER 295.A OG no hydrogen 3.354 N/A SER 295.A N SER 293.A OG no hydrogen 3.179 N/A SER 295.A OG SER 293.A OG no hydrogen 3.354 N/A THR 298.A N SER 295.A OG no hydrogen 3.369 N/A THR 298.A OG1 SER 295.A OG no hydrogen 3.164 N/A VAL 299.A N SER 295.A O no hydrogen 3.125 N/A ALA 300.A N LEU 296.A O no hydrogen 2.930 N/A GLN 301.A N GLU 297.A O no hydrogen 2.908 N/A GLU 302.A N THR 298.A O no hydrogen 2.916 N/A LEU 303.A N VAL 299.A O no hydrogen 2.946 N/A LEU 304.A N ALA 300.A O no hydrogen 2.772 N/A GLY 305.A N ALA 300.A O no hydrogen 2.988 N/A LYS 308.A N GLU 297.A OE1 no hydrogen 2.921 N/A GLU 319.A N ASP 315.A O no hydrogen 2.715 N/A ILE 320.A N ARG 316.A O no hydrogen 3.162 N/A ASP 321.A N MET 317.A O no hydrogen 3.239 N/A ARG 322.A N ASP 318.A O no hydrogen 2.819 N/A ARG 323.A N GLU 319.A O no hydrogen 2.669 N/A ARG 323.A NE GLU 319.A OE2 no hydrogen 2.427 N/A PHE 324.A N ILE 320.A O no hydrogen 3.029 N/A ALA 325.A N ASP 321.A O no hydrogen 2.960 N/A GLU 326.A N ARG 322.A O no hydrogen 2.852 N/A ASP 327.A N ARG 323.A O no hydrogen 2.417 N/A LYS 328.A N ASN 188.A OD1 no hydrogen 3.003 N/A LYS 328.A NZ PRO 186.A O no hydrogen 2.724 N/A LEU 331.A N ASP 327.A O no hydrogen 3.287 N/A ALA 332.A N LYS 328.A O no hydrogen 2.917 N/A THR 333.A N PRO 329.A O no hydrogen 2.742 N/A THR 333.A OG1 PRO 329.A O no hydrogen 3.250 N/A TYR 334.A N ALA 330.A O no hydrogen 3.248 N/A ASN 335.A N LEU 331.A O no hydrogen 3.012 N/A LEU 336.A N ALA 332.A O no hydrogen 2.996 N/A LYS 337.A N THR 333.A O no hydrogen 3.323 N/A LYS 337.A NZ GLY 307.A O no hydrogen 2.959 N/A ASN 338.A N TYR 334.A O no hydrogen 3.359 N/A ASN 338.A ND2 ASP 159.A OD2 no hydrogen 3.418 N/A ASN 338.A ND2 GLU 161.A OE2 no hydrogen 3.397 N/A CYS 339.A N ASN 335.A O no hydrogen 3.369 N/A CYS 339.A SG SER 157.A O no hydrogen 3.634 N/A CYS 339.A SG GLY 172.A O no hydrogen 3.555 N/A CYS 339.A SG ASN 335.A O no hydrogen 3.749 N/A GLU 340.A N LEU 336.A O no hydrogen 2.940 N/A LEU 341.A N LYS 337.A O no hydrogen 2.756 N/A VAL 342.A N ASN 338.A O no hydrogen 3.295 N/A THR 343.A N CYS 339.A O no hydrogen 3.175 N/A THR 343.A OG1 GLU 174.A OE2 no hydrogen 3.396 N/A THR 343.A OG1 CYS 339.A O no hydrogen 3.394 N/A GLN 344.A N GLU 340.A O no hydrogen 3.124 N/A ILE 345.A N LEU 341.A O no hydrogen 3.138 N/A PHE 346.A N VAL 342.A O no hydrogen 3.020 N/A HIS 347.A N THR 343.A O no hydrogen 3.209 N/A LYS 348.A N GLN 344.A O no hydrogen 3.160 N/A THR 349.A N ILE 345.A O no hydrogen 3.049 N/A THR 349.A OG1 ILE 345.A O no hydrogen 2.355 N/A PHE 354.A N GLU 350.A O no hydrogen 3.279 N/A LEU 355.A N ILE 351.A O no hydrogen 2.822 N/A LEU 356.A N MET 352.A O no hydrogen 2.859 N/A GLU 357.A N PRO 353.A O no hydrogen 2.987 N/A ARG 358.A N PHE 354.A O no hydrogen 2.941 N/A ALA 359.A N LEU 355.A O no hydrogen 3.284 N/A THR 360.A N LEU 356.A O no hydrogen 3.284 N/A THR 360.A OG1 LEU 356.A O no hydrogen 2.961 N/A ASN 362.A N ARG 358.A O no hydrogen 3.087 N/A GLY 363.A N ALA 359.A O no hydrogen 3.103 N/A ARG 368.A N PRO 365.A O no hydrogen 3.118 N/A ALA 375.A N GLY 371.A O no hydrogen 2.957 N/A PHE 376.A N SER 372.A O no hydrogen 2.894 N/A GLY 377.A N VAL 373.A O no hydrogen 3.327 N/A HIS 378.A N ALA 374.A O no hydrogen 3.188 N/A LEU 379.A N ALA 375.A O no hydrogen 3.306 N/A TYR 380.A N PHE 376.A O no hydrogen 3.015 N/A TYR 380.A OH ASP 437.A OD1 no hydrogen 2.395 N/A PHE 381.A N GLY 377.A O no hydrogen 2.723 N/A ARG 383.A NH1 LEU 379.A O no hydrogen 2.808 N/A MET 384.A N TYR 380.A O no hydrogen 2.893 N/A HIS 385.A N PHE 381.A O no hydrogen 2.931 N/A HIS 385.A NE2 GLU 108.A OE1 no hydrogen 3.128 N/A HIS 385.A NE2 GLU 108.A OE2 no hydrogen 2.402 N/A ARG 386.A N PRO 382.A O no hydrogen 3.179 N/A ARG 386.A NH1 PRO 382.A O no hydrogen 2.982 N/A ARG 386.A NH2 GLU 120.A O no hydrogen 3.157 N/A ALA 387.A N ARG 383.A O no hydrogen 3.113 N/A GLY 388.A N HIS 385.A O no hydrogen 2.894 N/A TYR 389.A N MET 384.A O no hydrogen 3.102 N/A TYR 389.A OH GLU 443.A OE2 no hydrogen 2.634 N/A VAL 390.A N LYS 74.A O no hydrogen 3.031 N/A ALA 391.A N GLU 108.A OE2 no hydrogen 3.091 N/A ASN 393.A N GLU 396.A OE2 no hydrogen 2.836 N/A SER 402.A OG PRO 516.A O no hydrogen 2.983 N/A SER 402.A OG SER 520.A OG no hydrogen 2.587 N/A MET 408.A N GLY 547.A O no hydrogen 3.149 N/A SER 410.A OG SER 616.A O no hydrogen 3.089 N/A ARG 411.A N ILE 545.A O no hydrogen 3.196 N/A GLY 413.A N MET 606.A O no hydrogen 2.918 N/A TYR 415.A N PHE 604.A O no hydrogen 2.779 N/A TYR 415.A OH ARG 411.A O no hydrogen 3.169 N/A SER 417.A N CYS 602.A O no hydrogen 2.639 N/A VAL 418.A N PHE 601.A O no hydrogen 2.848 N/A LEU 419.A N VAL 554.A O no hydrogen 2.702 N/A VAL 420.A N THR 599.A O no hydrogen 2.808 N/A LEU 421.A N THR 552.A O no hydrogen 3.005 N/A ASP 422.A N GLU 596.A O no hydrogen 2.831 N/A TYR 423.A N ASP 550.A O no hydrogen 3.071 N/A TYR 423.A OH THR 533.A OG1 no hydrogen 2.814 N/A LYS 424.A N GLU 594.A O no hydrogen 2.825 N/A SER 429.A N SER 425.A O no hydrogen 2.822 N/A SER 429.A OG LEU 426.A O no hydrogen 3.007 N/A ILE 430.A N LEU 426.A O no hydrogen 2.786 N/A ILE 431.A N TYR 427.A O no hydrogen 3.032 N/A ARG 432.A N PRO 428.A O no hydrogen 2.970 N/A ARG 432.A NE THR 474.A OG1 no hydrogen 3.035 N/A THR 433.A N SER 429.A O no hydrogen 2.826 N/A THR 433.A OG1 SER 429.A O no hydrogen 2.679 N/A PHE 434.A N ILE 430.A O no hydrogen 2.890 N/A ILE 436.A N ILE 431.A O no hydrogen 3.163 N/A GLY 440.A N ASP 437.A OD2 no hydrogen 3.014 N/A LEU 441.A N ASP 437.A O no hydrogen 3.218 N/A VAL 442.A N PRO 438.A O no hydrogen 3.193 N/A GLU 443.A N VAL 439.A O no hydrogen 2.861 N/A GLY 444.A N GLY 440.A O no hydrogen 2.549 N/A MET 445.A N LEU 441.A O no hydrogen 2.954 N/A GLN 447.A N GLY 444.A O no hydrogen 3.094 N/A ASP 449.A N GLN 447.A O no hydrogen 2.980 N/A HIS 452.A N ASP 449.A O no hydrogen 3.086 N/A HIS 452.A N ASP 449.A OD1 no hydrogen 3.194 N/A HIS 452.A ND1 ASP 449.A OD1 no hydrogen 2.579 N/A HIS 452.A ND1 ASP 449.A OD2 no hydrogen 3.176 N/A SER 453.A N ASP 449.A O no hydrogen 2.963 N/A SER 453.A OG GLN 447.A O no hydrogen 2.911 N/A THR 454.A N PHE 462.A O no hydrogen 2.571 N/A GLU 455.A N GLU 455.A OE1 no hydrogen 2.598 N/A PHE 457.A N SER 521.A OG no hydrogen 3.203 N/A ALA 460.A N PHE 457.A O no hydrogen 3.180 N/A PHE 462.A N THR 454.A O no hydrogen 2.636 N/A SER 463.A N GLY 440.A O no hydrogen 3.013 N/A ARG 464.A N HIS 452.A O no hydrogen 3.101 N/A ARG 464.A NE PRO 450.A O no hydrogen 3.341 N/A ARG 464.A NE SER 453.A O no hydrogen 3.337 N/A ARG 464.A NH1 ARG 588.A O no hydrogen 2.979 N/A ARG 464.A NH2 GLN 587.A O no hydrogen 2.511 N/A LYS 466.A NZ ALA 387.A O no hydrogen 2.397 N/A HIS 467.A ND1 GLU 471.A OE1 no hydrogen 3.203 N/A HIS 467.A ND1 GLU 471.A OE2 no hydrogen 3.192 N/A HIS 467.A NE2 ARG 464.A O no hydrogen 2.494 N/A CYS 468.A N ASP 437.A OD1 no hydrogen 3.200 N/A CYS 468.A N ASP 437.A OD2 no hydrogen 3.002 N/A LEU 469.A N ASP 437.A OD1 no hydrogen 2.737 N/A ILE 472.A N CYS 468.A O no hydrogen 3.438 N/A VAL 473.A N LEU 469.A O no hydrogen 3.042 N/A THR 474.A N PRO 470.A O no hydrogen 3.198 N/A THR 474.A OG1 PRO 470.A O no hydrogen 2.486 N/A ASN 475.A N GLU 471.A O no hydrogen 3.139 N/A ILE 476.A N ILE 472.A O no hydrogen 3.173 N/A TRP 477.A N VAL 473.A O no hydrogen 2.831 N/A HIS 478.A N THR 474.A O no hydrogen 2.995 N/A GLY 479.A N ASN 475.A O no hydrogen 2.990 N/A ARG 480.A N ILE 476.A O no hydrogen 2.887 N/A ARG 480.A N TRP 477.A O no hydrogen 3.239 N/A ARG 480.A NE SER 492.A O no hydrogen 3.269 N/A ARG 480.A NE SER 492.A OG no hydrogen 3.394 N/A ASP 481.A N TRP 477.A O no hydrogen 3.202 N/A GLU 482.A N HIS 478.A O no hydrogen 3.255 N/A ALA 483.A N GLY 479.A O no hydrogen 3.288 N/A LYS 484.A N ARG 480.A O no hydrogen 2.943 N/A ARG 485.A N ASP 481.A O no hydrogen 2.960 N/A GLN 486.A N GLU 482.A O no hydrogen 2.627 N/A GLY 487.A N LYS 484.A O no hydrogen 3.040 N/A ASN 488.A N ALA 483.A O no hydrogen 2.859 N/A SER 492.A N ASN 488.A O no hydrogen 3.054 N/A GLN 493.A N LYS 489.A O no hydrogen 3.030 N/A ALA 494.A N PRO 490.A O no hydrogen 2.937 N/A LEU 495.A N LEU 491.A O no hydrogen 3.087 N/A LYS 496.A N SER 492.A O no hydrogen 3.043 N/A ILE 497.A N GLN 493.A O no hydrogen 3.070 N/A ILE 498.A N ALA 494.A O no hydrogen 2.853 N/A MET 499.A N LEU 495.A O no hydrogen 2.951 N/A ASN 500.A N LYS 496.A O no hydrogen 2.911 N/A ALA 501.A N ILE 497.A O no hydrogen 2.879 N/A PHE 502.A N MET 499.A O no hydrogen 3.141 N/A TYR 503.A N ASN 500.A O no hydrogen 3.204 N/A GLY 504.A N ASN 500.A O no hydrogen 3.356 N/A VAL 505.A N ALA 501.A O no hydrogen 3.012 N/A LEU 506.A N TYR 503.A O no hydrogen 3.092 N/A GLY 507.A N GLY 504.A O no hydrogen 3.274 N/A CYS 511.A N THR 508.A O no hydrogen 3.096 N/A ARG 512.A NE PRO 392.A O no hydrogen 2.945 N/A ARG 512.A NH1 ASP 110.A OD2 no hydrogen 2.566 N/A ARG 512.A NH2 ASP 110.A OD2 no hydrogen 2.422 N/A PHE 514.A N CYS 511.A O no hydrogen 3.018 N/A ASP 515.A N LEU 506.A O no hydrogen 3.422 N/A ARG 517.A N ASP 515.A OD2 no hydrogen 2.976 N/A ARG 517.A NE ASP 515.A OD2 no hydrogen 3.218 N/A ARG 517.A NH2 ASP 515.A OD1 no hydrogen 3.488 N/A LEU 518.A N ASP 515.A O no hydrogen 3.290 N/A SER 520.A OG SER 402.A OG no hydrogen 2.587 N/A SER 520.A OG PRO 516.A O no hydrogen 3.002 N/A SER 521.A N ARG 517.A O no hydrogen 3.342 N/A SER 521.A OG ARG 517.A O no hydrogen 2.768 N/A THR 523.A N ALA 519.A O no hydrogen 3.456 N/A THR 523.A OG1 PRO 403.A O no hydrogen 3.076 N/A THR 523.A OG1 ALA 519.A O no hydrogen 3.324 N/A MET 524.A N SER 520.A O no hydrogen 2.740 N/A ARG 525.A NH1 GLN 528.A OE1 no hydrogen 2.989 N/A GLY 526.A N ILE 522.A O no hydrogen 3.317 N/A HIS 527.A N THR 523.A O no hydrogen 3.261 N/A GLN 528.A N MET 524.A O no hydrogen 3.406 N/A ILE 529.A N ARG 525.A O no hydrogen 2.734 N/A MET 530.A N GLY 526.A O no hydrogen 2.926 N/A ARG 531.A N HIS 527.A O no hydrogen 3.266 N/A GLN 532.A N GLN 528.A O no hydrogen 3.092 N/A GLN 532.A NE2 GLN 532.A O no hydrogen 3.355 N/A THR 533.A N ILE 529.A O no hydrogen 3.219 N/A THR 533.A OG1 TYR 423.A OH no hydrogen 2.814 N/A THR 533.A OG1 ILE 529.A O no hydrogen 2.611 N/A LYS 534.A N MET 530.A O no hydrogen 3.233 N/A ALA 535.A N ARG 531.A O no hydrogen 2.960 N/A LEU 536.A N GLN 532.A O no hydrogen 2.970 N/A ILE 537.A N THR 533.A O no hydrogen 2.892 N/A GLU 538.A N LYS 534.A O no hydrogen 3.164 N/A ALA 539.A N ALA 535.A O no hydrogen 3.238 N/A GLN 540.A N LEU 536.A O no hydrogen 3.378 N/A GLN 540.A N ILE 537.A O no hydrogen 3.149 N/A GLY 541.A N GLU 538.A O no hydrogen 2.753 N/A TYR 542.A N ILE 537.A O no hydrogen 3.333 N/A ILE 545.A N PHE 553.A O no hydrogen 2.658 N/A ASP 548.A N SER 551.A O no hydrogen 3.057 N/A THR 549.A N TYR 406.A O no hydrogen 2.699 N/A ASP 550.A N ASP 548.A O no hydrogen 2.775 N/A THR 552.A N LEU 421.A O no hydrogen 3.098 N/A PHE 553.A N TYR 546.A O no hydrogen 2.729 N/A VAL 554.A N LEU 419.A O no hydrogen 2.894 N/A TRP 555.A N ASP 543.A O no hydrogen 2.716 N/A LEU 556.A N SER 417.A O no hydrogen 3.328 N/A LYS 557.A NZ ASP 543.A OD2 no hydrogen 2.708 N/A HIS 560.A N SER 417.A OG no hydrogen 3.242 N/A ALA 565.A N SER 561.A O no hydrogen 2.813 N/A ALA 566.A N GLU 562.A O no hydrogen 2.792 N/A LYS 567.A N GLU 563.A O no hydrogen 2.941 N/A ILE 568.A N GLU 564.A O no hydrogen 3.129 N/A GLY 569.A N ALA 565.A O no hydrogen 2.962 N/A ARG 570.A N ALA 566.A O no hydrogen 3.068 N/A ALA 571.A N LYS 567.A O no hydrogen 3.175 N/A LEU 572.A N ILE 568.A O no hydrogen 3.042 N/A VAL 573.A N GLY 569.A O no hydrogen 3.212 N/A GLN 574.A N ARG 570.A O no hydrogen 3.071 N/A HIS 575.A N ALA 571.A O no hydrogen 3.183 N/A VAL 576.A N LEU 572.A O no hydrogen 3.056 N/A ASN 577.A N VAL 573.A O no hydrogen 2.990 N/A ASN 577.A ND2 LEU 595.A O no hydrogen 3.681 N/A ALA 578.A N GLN 574.A O no hydrogen 3.075 N/A TRP 579.A N HIS 575.A O no hydrogen 3.152 N/A TRP 580.A N VAL 576.A O no hydrogen 3.039 N/A TRP 580.A NE1 TYR 423.A OH no hydrogen 2.807 N/A ALA 581.A N ASN 577.A O no hydrogen 3.152 N/A GLU 582.A N ALA 578.A O no hydrogen 2.831 N/A THR 583.A N TRP 579.A O no hydrogen 3.206 N/A THR 583.A OG1 TRP 579.A O no hydrogen 3.375 N/A LEU 584.A N TRP 580.A O no hydrogen 2.919 N/A GLN 585.A N ALA 581.A O no hydrogen 2.739 N/A GLN 587.A N LEU 584.A O no hydrogen 3.112 N/A ARG 588.A N GLN 585.A O no hydrogen 2.796 N/A LEU 589.A N LEU 584.A O no hydrogen 3.220 N/A ALA 592.A N THR 433.A OG1 no hydrogen 2.975 N/A LEU 593.A N SER 591.A OG no hydrogen 3.259 N/A LEU 595.A N ASN 577.A OD1 no hydrogen 3.195 N/A GLU 596.A N ASP 422.A O no hydrogen 2.634 N/A GLU 598.A N VAL 420.A O no hydrogen 3.043 N/A PHE 601.A N VAL 418.A O no hydrogen 2.760 N/A CYS 602.A N LEU 623.A O no hydrogen 2.820 N/A CYS 602.A SG LEU 623.A O no hydrogen 3.310 N/A ARG 603.A N LEU 623.A O no hydrogen 3.367 N/A ARG 603.A NE PHE 660.A O no hydrogen 3.135 N/A ARG 603.A NH1 ASP 416.A OD1 no hydrogen 3.326 N/A ARG 603.A NH2 ILE 659.A O no hydrogen 2.929 N/A PHE 604.A N TYR 415.A O no hydrogen 3.210 N/A LEU 605.A N ALA 621.A O no hydrogen 2.784 N/A MET 606.A N GLY 413.A O no hydrogen 3.074 N/A THR 608.A OG1 ALA 612.A O no hydrogen 3.490 N/A ILE 609.A N THR 614.A O no hydrogen 3.330 N/A ARG 610.A NH2 GLU 765.A OE1 no hydrogen 3.494 N/A SER 616.A N PRO 607.A O no hydrogen 3.184 N/A SER 616.A OG LYS 617.A O no hydrogen 3.427 N/A LYS 618.A N TYR 546.A OH no hydrogen 2.438 N/A LYS 618.A NZ ASP 548.A OD1 no hydrogen 2.985 N/A LYS 618.A NZ ASP 548.A OD2 no hydrogen 3.455 N/A TYR 620.A N LYS 635.A O no hydrogen 2.898 N/A ALA 621.A N LEU 605.A O no hydrogen 3.193 N/A GLY 622.A N VAL 633.A O no hydrogen 2.823 N/A LEU 623.A N ARG 603.A O no hydrogen 2.667 N/A ILE 624.A N ARG 631.A O no hydrogen 2.876 N/A GLN 625.A NE2 GLY 627.A O no hydrogen 3.126 N/A GLU 626.A N LYS 629.A O no hydrogen 3.155 N/A ARG 631.A N ILE 624.A O no hydrogen 2.829 N/A ARG 631.A NH2 GLU 626.A OE2 no hydrogen 2.476 N/A VAL 633.A N GLY 622.A O no hydrogen 2.736 N/A LYS 635.A N TYR 620.A O no hydrogen 2.843 N/A GLU 638.A N GLU 638.A OE1 no hydrogen 2.536 N/A THR 639.A N GLN 652.A OE1 no hydrogen 2.741 N/A THR 639.A OG1 GLN 649.A O no hydrogen 3.226 N/A THR 639.A OG1 GLN 652.A OE1 no hydrogen 2.580 N/A VAL 640.A N LEU 637.A O no hydrogen 3.048 N/A ARG 641.A N GLU 638.A O no hydrogen 2.736 N/A ARG 641.A NE ASP 643.A OD2 no hydrogen 3.545 N/A ARG 641.A NH2 ASP 643.A OD2 no hydrogen 3.538 N/A TRP 644.A N ARG 641.A O no hydrogen 3.180 N/A LEU 647.A N ARG 684.A O no hydrogen 2.987 N/A GLN 649.A N THR 645.A O no hydrogen 3.170 N/A GLN 649.A NE2 GLU 638.A O no hydrogen 3.135 N/A GLN 650.A N PRO 646.A O no hydrogen 2.809 N/A PHE 651.A N LEU 647.A O no hydrogen 3.205 N/A GLN 652.A N ALA 648.A O no hydrogen 2.908 N/A GLN 652.A NE2 GLU 638.A OE1 no hydrogen 2.494 N/A GLN 653.A N GLN 649.A O no hydrogen 3.148 N/A GLN 653.A NE2 GLN 649.A O no hydrogen 3.343 N/A GLU 654.A N GLN 650.A O no hydrogen 2.915 N/A LEU 655.A N PHE 651.A O no hydrogen 2.684 N/A TYR 656.A N GLN 652.A O no hydrogen 2.828 N/A LEU 657.A N GLN 653.A O no hydrogen 3.121 N/A ARG 658.A N GLU 654.A O no hydrogen 3.365 N/A ILE 659.A N LEU 655.A O no hydrogen 3.216 N/A PHE 660.A N TYR 656.A O no hydrogen 3.009 N/A ARG 661.A N LEU 657.A O no hydrogen 3.151 N/A ASN 662.A N ILE 659.A O no hydrogen 3.155 N/A GLU 663.A N ARG 658.A O no hydrogen 2.693 N/A TYR 665.A OH ASP 773.A OD1 no hydrogen 2.700 N/A GLN 666.A NE2 ASP 773.A OD1 no hydrogen 3.136 N/A VAL 669.A N TYR 665.A O no hydrogen 3.058 N/A VAL 669.A N GLN 666.A O no hydrogen 3.195 N/A ARG 670.A N GLN 666.A O no hydrogen 3.077 N/A GLU 671.A N GLU 667.A O no hydrogen 2.977 N/A THR 672.A N TYR 668.A O no hydrogen 3.066 N/A THR 672.A OG1 TYR 668.A O no hydrogen 2.525 N/A ILE 673.A N VAL 669.A O no hydrogen 2.986 N/A ASP 674.A N ARG 670.A O no hydrogen 3.018 N/A LYS 675.A N GLU 671.A O no hydrogen 3.147 N/A LEU 676.A N THR 672.A O no hydrogen 3.062 N/A MET 677.A N ILE 673.A O no hydrogen 3.083 N/A ALA 678.A N LYS 675.A O no hydrogen 3.240 N/A GLU 680.A N LYS 675.A O no hydrogen 3.032 N/A ARG 684.A N LEU 681.A O no hydrogen 3.366 N/A LEU 685.A N ASP 682.A O no hydrogen 3.155 N/A TYR 687.A N TYR 733.A O no hydrogen 2.761 N/A LYS 689.A N ILE 731.A O no hydrogen 2.909 N/A LEU 691.A N GLY 729.A O no hydrogen 2.740 N/A ARG 693.A N TYR 698.A OH no hydrogen 3.435 N/A LEU 695.A N GLN 726.A O no hydrogen 3.033 N/A GLU 697.A N PRO 694.A O no hydrogen 2.983 N/A TYR 698.A N LEU 695.A O no hydrogen 3.449 N/A ARG 707.A N PRO 703.A O no hydrogen 2.794 N/A ARG 707.A NH1 PRO 740.A O no hydrogen 2.870 N/A ARG 707.A NH2 ASN 738.A O no hydrogen 3.259 N/A ALA 708.A N PRO 704.A O no hydrogen 3.078 N/A ALA 709.A N HIS 705.A O no hydrogen 2.730 N/A ARG 710.A N VAL 706.A O no hydrogen 3.117 N/A ARG 710.A NH2 LEU 695.A O no hydrogen 3.465 N/A LEU 711.A N ARG 707.A O no hydrogen 3.387 N/A ALA 712.A N ALA 708.A O no hydrogen 2.988 N/A ASP 713.A N ALA 709.A O no hydrogen 2.807 N/A GLU 714.A N ARG 710.A O no hydrogen 2.888 N/A GLU 715.A N LEU 711.A O no hydrogen 3.003 N/A ASN 716.A N ALA 712.A O no hydrogen 3.112 N/A GLN 717.A N ASP 713.A O no hydrogen 3.166 N/A LYS 718.A N GLU 714.A O no hydrogen 3.364 N/A ARG 719.A N ASN 716.A O no hydrogen 3.161 N/A GLY 720.A N GLN 717.A O no hydrogen 3.263 N/A ARG 721.A NH1 TRP 314.A O no hydrogen 3.105 N/A ARG 721.A NH2 TRP 314.A O no hydrogen 2.471 N/A GLN 724.A N ASP 713.A OD1 no hydrogen 3.054 N/A TYR 725.A N ASP 713.A OD2 no hydrogen 3.038 N/A ASN 727.A ND2 GLY 266.A O no hydrogen 3.558 N/A ARG 728.A NE ARG 692.A O no hydrogen 3.055 N/A ARG 728.A NH1 ASN 265.A O no hydrogen 2.952 N/A ARG 728.A NH2 ASN 265.A O no hydrogen 2.993 N/A ILE 731.A N LYS 689.A O no hydrogen 2.921 N/A TYR 733.A N TYR 687.A O no hydrogen 2.607 N/A VAL 734.A N GLU 741.A O no hydrogen 3.112 N/A TRP 735.A N TYR 755.A OH no hydrogen 2.826 N/A THR 736.A N GLY 739.A O no hydrogen 3.163 N/A THR 736.A OG1 GLY 739.A O no hydrogen 2.656 N/A THR 737.A N PRO 749.A O no hydrogen 2.506 N/A ASN 738.A N THR 736.A OG1 no hydrogen 3.174 N/A GLY 739.A N THR 736.A O no hydrogen 2.975 N/A GLU 741.A N VAL 734.A O no hydrogen 3.326 N/A LEU 743.A N LYS 732.A O no hydrogen 2.782 N/A GLN 746.A N LEU 743.A O no hydrogen 3.528 N/A GLN 746.A NE2 SER 748.A O no hydrogen 2.670 N/A ARG 747.A N GLU 741.A OE1 no hydrogen 2.559 N/A SER 748.A N GLU 741.A OE1 no hydrogen 2.485 N/A SER 748.A OG ASN 738.A OD1 no hydrogen 3.344 N/A SER 748.A OG GLU 741.A OE2 no hydrogen 2.461 N/A ASP 751.A N TRP 735.A O no hydrogen 2.971 N/A TYR 752.A OH ASP 682.A OD1 no hydrogen 2.744 N/A TYR 755.A OH LEU 685.A O no hydrogen 2.773 N/A LEU 756.A N TYR 752.A O no hydrogen 2.696 N/A THR 757.A N GLU 753.A O no hydrogen 3.046 N/A THR 757.A OG1 GLU 753.A O no hydrogen 2.597 N/A ARG 758.A N HIS 754.A O no hydrogen 2.963 N/A GLN 759.A N TYR 755.A O no hydrogen 3.309 N/A GLN 759.A NE2 THR 645.A OG1 no hydrogen 2.420 N/A LEU 760.A N TYR 755.A O no hydrogen 3.069 N/A GLN 761.A N LEU 756.A O no hydrogen 2.789 N/A GLN 761.A NE2 GLU 765.A OE2 no hydrogen 2.639 N/A ALA 764.A N LEU 760.A O no hydrogen 3.390 N/A GLU 765.A N GLN 761.A O no hydrogen 3.051 N/A GLY 766.A N VAL 763.A O no hydrogen 3.300 N/A ILE 767.A N ALA 764.A O no hydrogen 3.138 N/A LEU 768.A N ALA 764.A O no hydrogen 2.887 N/A PHE 770.A N ILE 767.A O no hydrogen 3.212 N/A GLU 772.A N PRO 769.A O no hydrogen 3.266 N/A ASP 773.A N LEU 768.A O no hydrogen 2.657 N/A THR 777.A N ASN 774.A OD1 no hydrogen 3.084 N/A LEU 778.A N ASN 774.A O no hydrogen 3.010 N/A MET 779.A N PHE 775.A O no hydrogen 2.245 N/A