Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6usp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N GLN 425.A OE1 no hydrogen 2.744 N/A TYR 4.A N GLN 425.A OE1 no hydrogen 3.261 N/A TYR 5.A N ILE 86.A O no hydrogen 2.743 N/A TYR 5.A OH ASP 124.A OD1 no hydrogen 2.352 N/A LEU 7.A N GLU 84.A O no hydrogen 3.307 N/A SER 11.A N SER 8.A O no hydrogen 3.402 N/A SER 11.A OG ARG 6.A O no hydrogen 3.544 N/A SER 11.A OG SER 8.A O no hydrogen 3.390 N/A ARG 12.A N LEU 9.A O no hydrogen 2.814 N/A GLN 13.A N ASP 124.A O no hydrogen 3.324 N/A SER 21.A OG ASN 20.A OD1 no hydrogen 3.517 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 3.083 N/A TYR 23.A N ASN 20.A O no hydrogen 3.303 N/A ASN 24.A N HIS 118.A NE2 no hydrogen 3.351 N/A ILE 26.A N ASN 24.A OD1 no hydrogen 3.290 N/A LEU 27.A N ASN 24.A O no hydrogen 3.386 N/A ILE 29.A N ILE 26.A O no hydrogen 3.089 N/A LEU 31.A N LEU 27.A O no hydrogen 2.936 N/A LYS 32.A N ASN 28.A O no hydrogen 3.003 N/A ASN 33.A N ILE 29.A O no hydrogen 3.094 N/A ASN 33.A ND2 ILE 55.A O no hydrogen 2.776 N/A PHE 34.A N ALA 30.A O no hydrogen 2.896 N/A ARG 35.A N LEU 31.A O no hydrogen 3.128 N/A ARG 35.A NH1 LYS 17.A O no hydrogen 3.473 N/A LEU 36.A N LYS 32.A O no hydrogen 3.126 N/A CYS 37.A N ASN 33.A O no hydrogen 2.928 N/A LYS 38.A N PHE 34.A O no hydrogen 3.048 N/A LYS 39.A N ARG 35.A O no hydrogen 2.893 N/A HIS 40.A N CYS 37.A O no hydrogen 3.004 N/A ILE 48.A N ILE 596.A OXT no hydrogen 2.917 N/A LEU 51.A N GLN 47.A O no hydrogen 3.171 N/A LEU 52.A N ILE 48.A O no hydrogen 2.848 N/A ILE 55.A N LEU 52.A O no hydrogen 2.810 N/A ILE 56.A N LEU 52.A O no hydrogen 2.768 N/A LYS 58.A NZ GLY 62.A O no hydrogen 3.449 N/A LYS 58.A NZ THR 64.A OG1 no hydrogen 3.205 N/A TYR 60.A N PRO 57.A O no hydrogen 3.007 N/A TYR 60.A OH ASN 119.A OD1 no hydrogen 2.868 N/A PHE 61.A N LYS 58.A O no hydrogen 2.894 N/A GLY 62.A N LYS 58.A O no hydrogen 3.080 N/A THR 63.A N PHE 61.A O no hydrogen 2.815 N/A THR 65.A N THR 63.A OG1 no hydrogen 3.278 N/A ASN 66.A ND2 PHE 61.A O no hydrogen 3.362 N/A ASN 66.A ND2 ASP 96.A O no hydrogen 2.924 N/A LEU 67.A N THR 63.A O no hydrogen 3.302 N/A LYS 68.A N THR 64.A O no hydrogen 2.836 N/A ARG 69.A N THR 65.A O no hydrogen 3.102 N/A PHE 70.A N ASN 66.A O no hydrogen 3.099 N/A TYR 71.A N LEU 67.A O no hydrogen 2.838 N/A LYS 72.A N LYS 68.A O no hydrogen 2.881 N/A LYS 72.A N ARG 69.A O no hydrogen 3.134 N/A VAL 73.A N PHE 70.A O no hydrogen 3.327 N/A VAL 74.A N PHE 70.A O no hydrogen 3.264 N/A GLU 75.A N TYR 71.A O no hydrogen 2.835 N/A LYS 76.A N LYS 72.A O no hydrogen 3.169 N/A LYS 76.A NZ THR 487.A OG1 no hydrogen 3.135 N/A ILE 77.A N VAL 73.A O no hydrogen 2.910 N/A LEU 78.A N VAL 74.A O no hydrogen 2.835 N/A THR 79.A N LYS 76.A O no hydrogen 3.098 N/A THR 79.A OG1 GLU 75.A O no hydrogen 2.746 N/A THR 79.A OG1 LYS 76.A O no hydrogen 3.028 N/A GLN 80.A N ILE 77.A O no hydrogen 3.100 N/A GLN 80.A NE2 LEU 7.A O no hydrogen 2.771 N/A GLN 80.A NE2 ILE 77.A O no hydrogen 3.128 N/A SER 81.A N GLU 84.A OE1 no hydrogen 3.395 N/A SER 81.A OG HIS 415.A ND1 no hydrogen 2.896 N/A SER 82.A N HIS 144.A O no hydrogen 3.399 N/A GLU 84.A N SER 81.A O no hydrogen 3.231 N/A CYS 85.A SG PHE 83.A O no hydrogen 3.558 N/A ILE 86.A N TYR 5.A O no hydrogen 3.001 N/A HIS 87.A N SER 488.A OG no hydrogen 2.880 N/A LEU 88.A N HIS 3.A O no hydrogen 2.650 N/A SER 89.A OG ASP 428.A OD1 no hydrogen 3.231 N/A LEU 91.A N LEU 88.A O no hydrogen 2.960 N/A HIS 92.A N SER 89.A O no hydrogen 3.366 N/A LYS 93.A N SER 89.A O no hydrogen 3.193 N/A LYS 93.A NZ ASP 428.A OD1 no hydrogen 2.954 N/A ASP 96.A N ASN 66.A OD1 no hydrogen 2.885 N/A TYR 97.A OH HIS 92.A O no hydrogen 3.342 N/A ALA 99.A N ASP 96.A O no hydrogen 3.236 N/A ILE 100.A N TYR 97.A O no hydrogen 2.947 N/A TRP 102.A NE1 TYR 60.A O no hydrogen 3.150 N/A LEU 103.A N ILE 100.A O no hydrogen 3.282 N/A GLN 104.A N PRO 101.A O no hydrogen 3.449 N/A GLN 104.A NE2 TYR 97.A O no hydrogen 3.502 N/A GLN 104.A NE2 ILE 100.A O no hydrogen 3.028 N/A VAL 106.A N LEU 103.A O no hydrogen 3.253 N/A LEU 110.A N GLU 107.A O no hydrogen 2.786 N/A ARG 111.A N PRO 108.A O no hydrogen 3.127 N/A ARG 111.A NE LEU 103.A O no hydrogen 2.855 N/A ARG 111.A NE VAL 106.A O no hydrogen 3.382 N/A ARG 111.A NH2 LEU 103.A O no hydrogen 3.227 N/A LEU 115.A N ARG 111.A O no hydrogen 2.990 N/A LEU 116.A N PRO 112.A O no hydrogen 2.966 N/A LYS 117.A N LYS 113.A O no hydrogen 3.512 N/A LYS 117.A NZ LYS 22.A O no hydrogen 2.982 N/A HIS 118.A N LEU 114.A O no hydrogen 2.983 N/A HIS 118.A ND1 LEU 114.A O no hydrogen 2.307 N/A ASN 119.A N LEU 115.A O no hydrogen 2.886 N/A ASN 119.A ND2 LEU 91.A O no hydrogen 2.593 N/A LEU 120.A N LEU 116.A O no hydrogen 2.771 N/A PHE 121.A N LYS 117.A O no hydrogen 2.790 N/A LEU 122.A N HIS 118.A O no hydrogen 2.912 N/A LEU 123.A N ASN 119.A O no hydrogen 2.884 N/A ASP 124.A N LEU 120.A O no hydrogen 2.922 N/A ASN 125.A N PHE 121.A O no hydrogen 3.015 N/A ASN 125.A ND2 PHE 121.A O no hydrogen 2.760 N/A ILE 126.A N LEU 122.A O no hydrogen 2.965 N/A VAL 127.A N LEU 122.A O no hydrogen 3.180 N/A LYS 128.A N LEU 123.A O no hydrogen 3.450 N/A LYS 128.A NZ TYR 5.A OH no hydrogen 2.809 N/A LYS 128.A NZ ARG 6.A O no hydrogen 2.792 N/A LYS 128.A NZ SER 8.A O no hydrogen 3.287 N/A LYS 128.A NZ SER 11.A OG no hydrogen 2.932 N/A ILE 130.A N ILE 126.A O no hydrogen 3.077 N/A ILE 131.A N VAL 127.A O no hydrogen 2.981 N/A ALA 132.A N LYS 128.A O no hydrogen 2.823 N/A PHE 133.A N PRO 129.A O no hydrogen 2.820 N/A TYR 134.A N ILE 130.A O no hydrogen 3.141 N/A TYR 134.A N ILE 131.A O no hydrogen 3.120 N/A TYR 135.A N ILE 131.A O no hydrogen 2.802 N/A LYS 136.A N ILE 149.A O no hydrogen 3.054 N/A ILE 138.A N LYS 147.A O no hydrogen 2.896 N/A LYS 139.A NZ SER 82.A OG no hydrogen 3.146 N/A THR 140.A N GLU 145.A O no hydrogen 2.969 N/A THR 140.A OG1 GLU 145.A O no hydrogen 3.485 N/A THR 140.A OG1 GLU 145.A OE2 no hydrogen 3.284 N/A ASN 142.A N THR 140.A OG1 no hydrogen 3.212 N/A ASN 142.A ND2 LYS 406.A O no hydrogen 2.886 N/A HIS 144.A N HIS 415.A O no hydrogen 2.807 N/A HIS 144.A ND1 HIS 415.A O no hydrogen 3.184 N/A GLU 145.A N ASN 142.A O no hydrogen 3.039 N/A LYS 147.A N ILE 138.A O no hydrogen 2.938 N/A ILE 149.A N LYS 136.A O no hydrogen 3.112 N/A ARG 150.A NH1 THR 42.A O no hydrogen 3.497 N/A ARG 150.A NH1 GLU 152.A OE1 no hydrogen 3.474 N/A ARG 150.A NH2 TYR 135.A OH no hydrogen 3.487 N/A LYS 151.A N TYR 134.A O no hydrogen 2.826 N/A LYS 151.A NZ ALA 132.A O no hydrogen 3.088 N/A TYR 154.A N ARG 150.A O no hydrogen 2.789 N/A TYR 154.A OH ILE 186.A O no hydrogen 2.591 N/A ILE 155.A N LYS 151.A O no hydrogen 2.879 N/A SER 156.A N GLU 152.A O no hydrogen 3.199 N/A SER 156.A OG GLU 153.A O no hydrogen 2.648 N/A PHE 157.A N GLU 153.A O no hydrogen 3.235 N/A GLU 158.A N TYR 154.A O no hydrogen 2.783 N/A SER 159.A N ILE 155.A O no hydrogen 2.869 N/A LYS 160.A N SER 156.A O no hydrogen 2.777 N/A VAL 161.A N PHE 157.A O no hydrogen 2.870 N/A PHE 162.A N GLU 158.A O no hydrogen 2.794 N/A HIS 163.A N SER 159.A O no hydrogen 2.778 N/A LYS 164.A N LYS 160.A O no hydrogen 3.094 N/A LEU 165.A N VAL 161.A O no hydrogen 2.763 N/A LYS 166.A N HIS 163.A O no hydrogen 3.067 N/A LYS 167.A N HIS 163.A O no hydrogen 2.882 N/A TYR 170.A N MET 168.A O no hydrogen 2.549 N/A LEU 171.A N LEU 165.A O no hydrogen 3.072 N/A VAL 172.A N LYS 301.A O no hydrogen 3.104 N/A ARG 181.A N PHE 292.A O no hydrogen 2.776 N/A ARG 181.A NH2 HIS 287.A O no hydrogen 2.896 N/A VAL 183.A N SER 198.A O no hydrogen 2.957 N/A LEU 184.A N ALA 294.A O no hydrogen 3.077 N/A ASN 185.A N ILE 196.A O no hydrogen 2.805 N/A ILE 187.A N ARG 194.A O no hydrogen 2.917 N/A LYS 189.A N ASN 192.A O no hydrogen 3.147 N/A GLN 190.A NE2 GLN 190.A O no hydrogen 3.302 N/A ARG 194.A N ILE 187.A O no hydrogen 2.746 N/A ARG 194.A NE GLN 308.A OE1 no hydrogen 3.047 N/A ARG 194.A NH2 GLN 308.A OE1 no hydrogen 3.435 N/A ILE 196.A N ASN 185.A O no hydrogen 2.929 N/A VAL 197.A N GLN 308.A O no hydrogen 2.913 N/A SER 198.A N VAL 183.A O no hydrogen 2.897 N/A SER 198.A OG VAL 183.A O no hydrogen 3.466 N/A SER 198.A OG ASN 185.A OD1 no hydrogen 2.806 N/A PHE 200.A N ARG 181.A O no hydrogen 2.943 N/A SER 203.A OG SER 203.A O no hydrogen 2.484 N/A PHE 209.A N ARG 205.A O no hydrogen 3.215 N/A LYS 210.A N LYS 206.A O no hydrogen 2.787 N/A LEU 211.A N PRO 207.A O no hydrogen 2.908 N/A LEU 212.A N PHE 208.A O no hydrogen 3.010 N/A THR 213.A N PHE 209.A O no hydrogen 2.867 N/A THR 213.A OG1 PHE 209.A O no hydrogen 2.838 N/A SER 214.A N LYS 210.A O no hydrogen 3.033 N/A SER 214.A OG LEU 211.A O no hydrogen 2.867 N/A LYS 215.A N LEU 211.A O no hydrogen 2.976 N/A ILE 216.A N LEU 212.A O no hydrogen 3.019 N/A ILE 216.A N THR 213.A O no hydrogen 3.267 N/A TYR 217.A N THR 213.A O no hydrogen 3.065 N/A LYS 218.A N SER 214.A O no hydrogen 3.038 N/A LEU 220.A N ILE 216.A O no hydrogen 2.956 N/A GLU 221.A N TYR 217.A O no hydrogen 3.034 N/A GLU 222.A N LYS 218.A O no hydrogen 3.110 N/A LYS 223.A N VAL 219.A O no hydrogen 2.939 N/A TYR 231.A N SER 229.A O no hydrogen 2.926 N/A TRP 234.A N LEU 230.A O no hydrogen 2.958 N/A SER 235.A N TYR 231.A O no hydrogen 3.192 N/A GLU 236.A N THR 232.A O no hydrogen 2.924 N/A PHE 237.A N CYS 233.A O no hydrogen 2.995 N/A THR 238.A N TRP 234.A O no hydrogen 3.435 N/A THR 238.A OG1 TRP 234.A O no hydrogen 2.608 N/A THR 238.A OG1 SER 235.A O no hydrogen 2.951 N/A GLN 239.A N SER 235.A O no hydrogen 3.138 N/A LYS 240.A N GLU 236.A O no hydrogen 2.781 N/A THR 241.A N PHE 237.A O no hydrogen 2.946 N/A TYR 246.A N SER 349.A O no hydrogen 2.936 N/A GLY 247.A N ASN 376.A OD1 no hydrogen 3.114 N/A ILE 248.A N PHE 347.A O no hydrogen 3.020 N/A LYS 249.A N ARG 374.A O no hydrogen 3.137 N/A LYS 249.A NZ PRO 388.A O no hydrogen 3.421 N/A VAL 250.A N TYR 345.A O no hydrogen 3.138 N/A ILE 252.A N ASP 343.A O no hydrogen 3.205 N/A ARG 253.A N GLN 367.A O no hydrogen 3.397 N/A ARG 253.A NH1 ASN 369.A OD1 no hydrogen 3.334 N/A GLY 257.A N ASP 254.A OD1 no hydrogen 2.611 N/A ASN 258.A N ASP 254.A O no hydrogen 2.943 N/A ASN 258.A N ALA 255.A O no hydrogen 3.242 N/A ASN 258.A ND2 GLN 367.A OE1 no hydrogen 2.957 N/A VAL 259.A N TYR 256.A O no hydrogen 3.294 N/A LYS 260.A N TYR 320.A OH no hydrogen 3.396 N/A LEU 264.A N LYS 260.A O no hydrogen 3.238 N/A CYS 265.A N ILE 261.A O no hydrogen 2.883 N/A CYS 265.A SG ILE 261.A O no hydrogen 3.168 N/A CYS 265.A SG SER 289.A OG no hydrogen 3.701 N/A LYS 266.A N PRO 262.A O no hydrogen 2.939 N/A LYS 266.A NZ LYS 266.A O no hydrogen 3.182 N/A LEU 267.A N VAL 263.A O no hydrogen 2.832 N/A ILE 268.A N LEU 264.A O no hydrogen 2.930 N/A GLN 269.A N CYS 265.A O no hydrogen 3.015 N/A GLN 269.A NE2 ASN 282.A OD1 no hydrogen 3.344 N/A SER 270.A N LYS 266.A O no hydrogen 2.942 N/A ILE 271.A N ILE 268.A O no hydrogen 3.079 N/A LEU 275.A N PRO 272.A O no hydrogen 2.961 N/A LEU 276.A N PRO 272.A O no hydrogen 3.094 N/A GLU 279.A N ASP 277.A OD1 no hydrogen 3.476 N/A LYS 281.A N ASP 277.A O no hydrogen 2.911 N/A LYS 281.A NZ GLN 269.A O no hydrogen 2.915 N/A LYS 281.A NZ ILE 271.A O no hydrogen 3.069 N/A ASN 282.A N SER 278.A O no hydrogen 2.908 N/A PHE 283.A N GLU 279.A O no hydrogen 2.906 N/A ILE 284.A N LYS 280.A O no hydrogen 2.998 N/A VAL 285.A N LYS 281.A O no hydrogen 2.964 N/A ASP 286.A N ASN 282.A O no hydrogen 2.952 N/A HIS 287.A N PHE 283.A O no hydrogen 2.775 N/A HIS 287.A NE2 ASP 310.A OD1 no hydrogen 3.037 N/A HIS 287.A NE2 ASP 310.A OD2 no hydrogen 2.908 N/A ILE 288.A N ILE 284.A O no hydrogen 2.871 N/A SER 289.A N VAL 285.A O no hydrogen 2.888 N/A SER 289.A OG VAL 285.A O no hydrogen 2.466 N/A GLN 291.A NE2 GLY 305.A O no hydrogen 3.224 N/A VAL 293.A N TYR 300.A O no hydrogen 2.842 N/A ALA 294.A N GLY 182.A O no hydrogen 2.937 N/A PHE 295.A N LYS 298.A O no hydrogen 2.728 N/A ARG 296.A NH1 SER 159.A OG no hydrogen 3.025 N/A ARG 296.A NH2 SER 159.A OG no hydrogen 2.687 N/A ARG 297.A N PHE 295.A O no hydrogen 3.100 N/A TYR 300.A N VAL 293.A O no hydrogen 2.783 N/A LYS 301.A N VAL 172.A O no hydrogen 2.894 N/A LYS 301.A NZ SER 289.A O no hydrogen 2.689 N/A TRP 302.A N GLN 291.A O no hydrogen 2.817 N/A TRP 302.A NE1 HIS 304.A O no hydrogen 2.916 N/A ASN 303.A N TYR 170.A O no hydrogen 2.987 N/A ASN 303.A ND2 LYS 169.A O no hydrogen 2.972 N/A ASN 303.A ND2 ASN 303.A O no hydrogen 2.766 N/A LEU 306.A N TYR 256.A O no hydrogen 3.020 N/A ASP 310.A N LEU 307.A O no hydrogen 3.247 N/A LEU 312.A N ASP 310.A OD2 no hydrogen 3.356 N/A SER 313.A N ASP 310.A O no hydrogen 3.287 N/A SER 313.A OG LEU 307.A O no hydrogen 2.418 N/A CYS 315.A SG LEU 312.A O no hydrogen 3.462 N/A LEU 316.A N LEU 312.A O no hydrogen 3.092 N/A CYS 317.A N SER 313.A O no hydrogen 2.921 N/A GLU 318.A N GLY 314.A O no hydrogen 2.962 N/A LEU 319.A N CYS 315.A O no hydrogen 3.023 N/A TYR 320.A N LEU 316.A O no hydrogen 3.044 N/A MET 321.A N CYS 317.A O no hydrogen 2.952 N/A ALA 322.A N GLU 318.A O no hydrogen 2.838 N/A PHE 323.A N LEU 319.A O no hydrogen 3.010 N/A MET 324.A N TYR 320.A O no hydrogen 3.015 N/A ASP 325.A N MET 321.A O no hydrogen 2.778 N/A ARG 326.A N ALA 322.A O no hydrogen 3.124 N/A LEU 327.A N PHE 323.A O no hydrogen 3.167 N/A TYR 328.A N MET 324.A O no hydrogen 2.959 N/A TYR 328.A N ASP 325.A O no hydrogen 3.280 N/A PHE 329.A N ASP 325.A O no hydrogen 2.969 N/A LEU 332.A N SER 330.A O no hydrogen 3.175 N/A ALA 336.A N ASP 333.A O no hydrogen 3.198 N/A PHE 337.A N CYS 348.A O no hydrogen 2.779 N/A HIS 339.A N PHE 346.A O no hydrogen 3.029 N/A ARG 340.A NH1 GLU 318.A OE2 no hydrogen 2.312 N/A THR 341.A N ASP 344.A O no hydrogen 3.167 N/A THR 341.A OG1 TYR 389.A OH no hydrogen 3.117 N/A TYR 345.A N VAL 250.A O no hydrogen 3.183 N/A TYR 345.A OH ASP 325.A OD1 no hydrogen 2.538 N/A PHE 346.A N HIS 339.A O no hydrogen 2.890 N/A PHE 347.A N ILE 248.A O no hydrogen 3.018 N/A CYS 348.A N PHE 337.A O no hydrogen 2.829 N/A SER 349.A N TYR 246.A O no hydrogen 2.956 N/A HIS 351.A N SER 349.A OG no hydrogen 3.365 N/A TYR 356.A N PRO 352.A O no hydrogen 2.984 N/A ASP 357.A N HIS 353.A O no hydrogen 2.730 N/A PHE 358.A N LYS 354.A O no hydrogen 2.960 N/A GLU 359.A N VAL 355.A O no hydrogen 2.908 N/A LEU 360.A N TYR 356.A O no hydrogen 3.056 N/A LEU 361.A N ASP 357.A O no hydrogen 2.726 N/A ILE 362.A N PHE 358.A O no hydrogen 2.979 N/A LYS 363.A N GLU 359.A O no hydrogen 3.024 N/A GLY 364.A N LEU 360.A O no hydrogen 2.958 N/A VAL 365.A N ILE 362.A O no hydrogen 3.218 N/A TYR 366.A N ILE 362.A O no hydrogen 2.983 N/A ASN 369.A N ASP 251.A O no hydrogen 2.683 N/A ASN 369.A ND2 ASP 251.A OD2 no hydrogen 3.077 N/A LYS 372.A N ASN 369.A O no hydrogen 3.068 N/A THR 373.A N PRO 370.A O no hydrogen 3.231 N/A THR 373.A OG1 ASN 369.A O no hydrogen 3.372 N/A THR 373.A OG1 PRO 370.A O no hydrogen 3.439 N/A ARG 374.A N LYS 249.A O no hydrogen 3.202 N/A ARG 374.A NH1 THR 371.A O no hydrogen 2.371 N/A ASN 376.A ND2 ILE 245.A O no hydrogen 2.721 N/A HIS 380.A N LEU 377.A O no hydrogen 2.987 N/A GLN 384.A N THR 375.A O no hydrogen 2.760 N/A ILE 387.A N PHE 394.A O no hydrogen 2.804 N/A TYR 389.A N LYS 392.A O no hydrogen 2.800 N/A TYR 389.A OH THR 341.A OG1 no hydrogen 3.117 N/A LYS 392.A N TYR 389.A O no hydrogen 2.969 N/A ILE 393.A N ARG 402.A O no hydrogen 2.872 N/A PHE 394.A N ILE 387.A O no hydrogen 2.956 N/A ASN 395.A N GLN 400.A O no hydrogen 3.258 N/A LEU 396.A N ASP 385.A O no hydrogen 2.815 N/A THR 397.A N ASN 395.A OD1 no hydrogen 3.188 N/A THR 397.A OG1 ASN 395.A OD1 no hydrogen 2.579 N/A THR 398.A N ASN 395.A OD1 no hydrogen 3.374 N/A ARG 399.A N ASN 395.A O no hydrogen 2.581 N/A GLN 400.A N THR 398.A OG1 no hydrogen 3.204 N/A GLN 400.A NE2 THR 398.A O no hydrogen 3.264 N/A GLN 400.A NE2 PHE 457.A O no hydrogen 2.580 N/A VAL 401.A N ASN 458.A OD1 no hydrogen 3.281 N/A ARG 402.A N ILE 393.A O no hydrogen 3.059 N/A THR 403.A OG1 TYR 405.A OH no hydrogen 3.043 N/A LEU 404.A N GLY 391.A O no hydrogen 2.848 N/A TYR 405.A OH THR 403.A OG1 no hydrogen 3.043 N/A ASN 410.A N PHE 587.A O no hydrogen 2.928 N/A TYR 411.A N PRO 408.A O no hydrogen 3.069 N/A TYR 411.A OH ASN 142.A O no hydrogen 3.088 N/A ILE 413.A N LYS 589.A O no hydrogen 3.355 N/A ARG 414.A NH2 ASN 591.A O no hydrogen 3.550 N/A HIS 415.A N GLU 412.A O no hydrogen 3.113 N/A LYS 416.A N ILE 413.A O no hydrogen 3.009 N/A ASN 423.A N ASN 421.A OD1 no hydrogen 2.959 N/A GLN 425.A NE2 PHE 422.A O no hydrogen 2.765 N/A ILE 426.A N TYR 4.A OH no hydrogen 3.224 N/A SER 427.A OG HIS 3.A NE2 no hydrogen 2.686 N/A GLN 436.A N ALA 432.A O no hydrogen 3.086 N/A LYS 437.A N ARG 433.A O no hydrogen 2.978 N/A MET 439.A N GLN 436.A O no hydrogen 2.549 N/A ASP 440.A N LYS 437.A O no hydrogen 3.392 N/A ILE 444.A N PHE 441.A O no hydrogen 2.993 N/A CYS 445.A N PRO 442.A O no hydrogen 3.462 N/A CYS 445.A SG PRO 442.A O no hydrogen 3.085 N/A SER 447.A N ILE 444.A O no hydrogen 2.809 N/A PHE 448.A N CYS 445.A O no hydrogen 2.593 N/A THR 449.A N GLU 452.A OE1 no hydrogen 3.041 N/A GLU 452.A N THR 449.A O no hydrogen 3.238 N/A ASN 454.A N LYS 450.A O no hydrogen 3.164 N/A ASN 454.A ND2 LYS 450.A O no hydrogen 2.647 N/A THR 455.A N TYR 519.A O no hydrogen 2.980 N/A VAL 456.A N ASN 454.A OD1 no hydrogen 3.047 N/A ASN 458.A ND2 ASN 454.A O no hydrogen 3.511 N/A ASP 459.A N GLN 400.A OE1 no hydrogen 2.235 N/A GLN 460.A NE2 LYS 526.A O no hydrogen 3.448 N/A THR 462.A OG1 GLN 400.A OE1 no hydrogen 3.341 N/A VAL 463.A N ASP 459.A O no hydrogen 3.360 N/A PHE 464.A N GLN 460.A O no hydrogen 2.927 N/A ALA 465.A N ARG 461.A O no hydrogen 3.156 N/A ASN 466.A N THR 462.A O no hydrogen 2.955 N/A ASN 466.A ND2 VAL 401.A O no hydrogen 3.326 N/A ASN 466.A ND2 GLU 452.A O no hydrogen 2.885 N/A TYR 468.A N PHE 464.A O no hydrogen 2.986 N/A TYR 468.A OH PHE 578.A O no hydrogen 2.705 N/A TYR 468.A OH LYS 580.A O no hydrogen 2.376 N/A ASP 469.A N ALA 465.A O no hydrogen 2.949 N/A ALA 470.A N ASN 466.A O no hydrogen 2.998 N/A MET 471.A N PHE 467.A O no hydrogen 3.044 N/A ILE 472.A N TYR 468.A O no hydrogen 3.069 N/A CYS 473.A N ASP 469.A O no hydrogen 3.232 N/A CYS 473.A N ALA 470.A O no hydrogen 3.163 N/A CYS 473.A SG ASP 469.A O no hydrogen 3.579 N/A VAL 474.A N ALA 470.A O no hydrogen 3.152 N/A ALA 475.A N MET 471.A O no hydrogen 2.921 N/A TYR 476.A N ILE 472.A O no hydrogen 3.077 N/A LYS 477.A N CYS 473.A O no hydrogen 3.000 N/A PHE 478.A N VAL 474.A O no hydrogen 2.874 N/A ASP 479.A N ALA 475.A O no hydrogen 2.818 N/A ALA 480.A N TYR 476.A O no hydrogen 2.946 N/A ALA 481.A N LYS 477.A O no hydrogen 2.902 N/A MET 482.A N PHE 478.A O no hydrogen 2.859 N/A MET 483.A N ASP 479.A O no hydrogen 2.992 N/A ALA 484.A N ALA 480.A O no hydrogen 2.931 N/A LEU 485.A N ALA 481.A O no hydrogen 2.832 N/A ARG 486.A N MET 482.A O no hydrogen 2.687 N/A THR 487.A N MET 483.A O no hydrogen 2.948 N/A THR 487.A OG1 MET 483.A O no hydrogen 2.583 N/A SER 488.A N ALA 484.A O no hydrogen 3.004 N/A PHE 489.A N ALA 484.A O no hydrogen 3.340 N/A VAL 491.A N LEU 485.A O no hydrogen 3.466 N/A GLY 495.A N ASP 493.A OD1 no hydrogen 3.233 N/A LEU 501.A N ILE 497.A O no hydrogen 3.095 N/A SER 502.A N TRP 498.A O no hydrogen 2.997 N/A SER 503.A N LEU 499.A O no hydrogen 2.911 N/A THR 504.A OG1 VAL 500.A O no hydrogen 2.610 N/A THR 504.A OG1 LEU 501.A O no hydrogen 3.072 N/A VAL 505.A N LEU 501.A O no hydrogen 3.121 N/A ARG 506.A N SER 502.A O no hydrogen 3.058 N/A TYR 508.A N THR 504.A O no hydrogen 2.401 N/A ALA 509.A N VAL 505.A O no hydrogen 2.769 N/A SER 510.A N ARG 506.A O no hydrogen 2.659 N/A ARG 511.A N ALA 507.A O no hydrogen 2.902 N/A PHE 513.A N SER 510.A O no hydrogen 2.715 N/A LYS 514.A N SER 510.A O no hydrogen 3.188 N/A LYS 515.A N ARG 511.A O no hydrogen 3.009 N/A ILE 516.A N ALA 512.A O no hydrogen 2.985 N/A VAL 517.A N PHE 513.A O no hydrogen 2.622 N/A THR 518.A N LYS 514.A O no hydrogen 2.955 N/A THR 518.A OG1 LYS 514.A O no hydrogen 2.624 N/A GLY 521.A N THR 455.A OG1 no hydrogen 3.232 N/A LYS 523.A N THR 455.A O no hydrogen 3.101 N/A TYR 524.A N GLY 521.A O no hydrogen 2.989 N/A ARG 525.A N GLN 460.A OE1 no hydrogen 3.206 N/A CYS 531.A N THR 528.A O no hydrogen 2.827 N/A LEU 532.A N THR 528.A O no hydrogen 3.055 N/A LYS 533.A N PHE 529.A O no hydrogen 3.052 N/A SER 534.A N GLN 530.A O no hydrogen 2.906 N/A SER 534.A OG GLN 530.A O no hydrogen 2.811 N/A SER 534.A OG GLN 530.A OE1 no hydrogen 2.910 N/A ILE 535.A N CYS 531.A O no hydrogen 3.039 N/A ALA 536.A N LEU 532.A O no hydrogen 2.931 N/A TRP 537.A N LYS 533.A O no hydrogen 3.020 N/A ARG 538.A N SER 534.A O no hydrogen 2.964 N/A ALA 539.A N ILE 535.A O no hydrogen 2.928 N/A ALA 539.A N ALA 536.A O no hydrogen 3.124 N/A PHE 540.A N ALA 536.A O no hydrogen 3.083 N/A LEU 541.A N TRP 537.A O no hydrogen 3.114 N/A ALA 542.A N ARG 538.A O no hydrogen 3.032 N/A VAL 543.A N ALA 539.A O no hydrogen 3.013 N/A VAL 543.A N PHE 540.A O no hydrogen 3.231 N/A LEU 544.A N PHE 540.A O no hydrogen 2.873 N/A LYS 545.A N LEU 541.A O no hydrogen 3.156 N/A ARG 546.A N VAL 543.A O no hydrogen 2.890 N/A ARG 546.A NH1 TYR 476.A OH no hydrogen 3.000 N/A ARG 546.A NH1 VAL 588.A O no hydrogen 2.884 N/A ARG 546.A NH2 VAL 588.A O no hydrogen 3.169 N/A ARG 547.A N LEU 544.A O no hydrogen 3.239 N/A ARG 547.A NE ASP 479.A OD1 no hydrogen 2.827 N/A ARG 547.A NE ASP 479.A OD2 no hydrogen 3.069 N/A ARG 547.A NH2 ASP 479.A OD2 no hydrogen 2.672 N/A ARG 547.A NH2 ILE 590.A O no hydrogen 2.499 N/A THR 548.A OG1 LYS 545.A O no hydrogen 2.482 N/A TYR 551.A N THR 548.A O no hydrogen 2.741 N/A LYS 552.A N THR 548.A O no hydrogen 2.718 N/A LYS 552.A NZ ASP 556.A OD1 no hydrogen 3.251 N/A LEU 554.A N TYR 551.A O no hydrogen 2.898 N/A ILE 555.A N TYR 551.A O no hydrogen 2.955 N/A ASP 556.A N LYS 552.A O no hydrogen 2.339 N/A ILE 558.A N LEU 554.A O no hydrogen 3.286 N/A LYS 559.A N ILE 555.A O no hydrogen 2.652 N/A SER 560.A N ASP 556.A O no hydrogen 3.092 N/A SER 560.A OG ASP 556.A O no hydrogen 2.796 N/A THR 565.A N LYS 563.A O no hydrogen 2.569 N/A THR 565.A OG1 LYS 563.A O no hydrogen 3.106 N/A TYR 577.A OH ASP 469.A OD1 no hydrogen 3.124 N/A PHE 578.A N ALA 575.A O no hydrogen 3.233 N/A CYS 579.A N SER 576.A O no hydrogen 3.253 N/A CYS 579.A SG ALA 575.A O no hydrogen 4.007 N/A PHE 585.A N PRO 582.A O no hydrogen 3.000 N/A LYS 589.A N TYR 411.A O no hydrogen 3.133 N/A LYS 589.A NZ GLU 412.A OE2 no hydrogen 3.408 N/A ARG 592.A NE THR 79.A OG1 no hydrogen 2.690 N/A ARG 592.A NH1 GLU 84.A OE2 no hydrogen 2.679 N/A ARG 592.A NH2 LYS 76.A O no hydrogen 2.991 N/A ARG 592.A NH2 THR 79.A OG1 no hydrogen 3.281 N/A ARG 592.A NH2 GLU 84.A OE1 no hydrogen 2.839 N/A ARG 592.A NH2 GLU 84.A OE2 no hydrogen 3.480 N/A