Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3krq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 21.A OH GLU 294.A OE1 no hydrogen 2.562 N/A ARG 22.A NH1 ASP 525.A OD1 no hydrogen 2.851 N/A ARG 22.A NH1 ASP 525.A OD2 no hydrogen 3.527 N/A ARG 22.A NH2 ASP 525.A OD1 no hydrogen 3.451 N/A ARG 22.A NH2 ASP 525.A OD2 no hydrogen 2.595 N/A THR 23.A OG1 ASP 27.A O no hydrogen 2.580 N/A THR 25.A OG1 ASP 27.A OD2 no hydrogen 2.489 N/A ASP 27.A N THR 25.A OG1 no hydrogen 3.341 N/A CYS 28.A N PRO 34.A O no hydrogen 3.059 N/A CYS 28.A SG LYS 14.A O no hydrogen 3.769 N/A ASN 29.A ND2 ASP 525.A OD1 no hydrogen 2.962 N/A ASN 30.A ND2 ASN 332.A O no hydrogen 3.183 N/A LEU 36.A N SER 33.A O no hydrogen 3.213 N/A ALA 38.A N ALA 35.A O no hydrogen 2.932 N/A ALA 39.A N THR 25.A O no hydrogen 2.960 N/A LEU 43.A N GLN 179.A O no hydrogen 2.825 N/A ALA 44.A N ILE 338.A O no hydrogen 3.103 N/A ARG 45.A NE GLU 178.A OE2 no hydrogen 2.690 N/A ARG 45.A NH1 HIS 443.A O no hydrogen 3.104 N/A ARG 45.A NH2 ARG 177.A O no hydrogen 3.366 N/A ARG 45.A NH2 GLU 178.A OE2 no hydrogen 3.448 N/A ARG 45.A NH2 HIS 443.A O no hydrogen 2.780 N/A GLU 50.A N GLY 444.A O no hydrogen 2.591 N/A TYR 51.A OH ARG 177.A O no hydrogen 2.995 N/A GLU 52.A N LEU 57.A O no hydrogen 2.771 N/A LEU 55.A N ASP 53.A OD1 no hydrogen 2.937 N/A ALA 56.A N ASP 53.A OD1 no hydrogen 3.012 N/A LEU 57.A N ASP 53.A OD1 no hydrogen 3.067 N/A TRP 61.A N PRO 58.A O no hydrogen 2.522 N/A THR 62.A N GLU 52.A OE2 no hydrogen 3.090 N/A THR 62.A OG1 GLU 52.A OE1 no hydrogen 2.516 N/A LYS 65.A N THR 62.A O no hydrogen 3.246 N/A ARG 67.A N PHE 70.A O no hydrogen 2.853 N/A ARG 67.A NH2 GLU 50.A OE1 no hydrogen 3.211 N/A ARG 67.A NH2 MET 445.A O no hydrogen 2.846 N/A ASN 68.A ND2 ASN 488.A OD1 no hydrogen 3.062 N/A PHE 70.A N ARG 67.A O no hydrogen 3.050 N/A ARG 76.A NE ASP 148.A OD2 no hydrogen 2.927 N/A ARG 76.A NH1 ARG 417.A O no hydrogen 3.080 N/A ARG 76.A NH1 ASN 418.A OD1 no hydrogen 2.865 N/A ARG 76.A NH1 ASP 431.A OD2 no hydrogen 2.902 N/A ARG 76.A NH2 ASP 148.A OD1 no hydrogen 3.357 N/A ARG 76.A NH2 ASN 418.A OD1 no hydrogen 2.837 N/A GLU 77.A N LEU 74.A O no hydrogen 2.969 N/A VAL 78.A N LEU 74.A O no hydrogen 3.048 N/A SER 79.A N ALA 75.A O no hydrogen 2.993 N/A SER 79.A OG ASP 431.A OD1 no hydrogen 3.510 N/A SER 79.A OG ASP 431.A OD2 no hydrogen 2.606 N/A ASN 80.A N ARG 76.A O no hydrogen 2.908 N/A ASN 80.A ND2 ASP 148.A OD2 no hydrogen 2.649 N/A LYS 81.A N GLU 77.A O no hydrogen 3.015 N/A LYS 81.A NZ GLU 77.A OE2 no hydrogen 2.828 N/A ILE 82.A N VAL 78.A O no hydrogen 3.078 N/A GLY 84.A N SER 79.A O no hydrogen 3.196 N/A TYR 85.A OH GLU 88.A OE1 no hydrogen 2.605 N/A GLU 89.A N ASP 87.A OD1 no hydrogen 2.944 N/A ASP 93.A N SER 403.A O no hydrogen 2.876 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 3.193 N/A ARG 96.A NE ILE 314.A O no hydrogen 3.378 N/A ARG 96.A NH1 ASN 95.A O no hydrogen 2.891 N/A ARG 96.A NH2 ILE 314.A O no hydrogen 2.813 N/A SER 97.A N PHE 566.A O no hydrogen 2.904 N/A SER 97.A OG ALA 565.A O no hydrogen 2.630 N/A LEU 98.A N LYS 401.A O no hydrogen 2.938 N/A PHE 100.A N SER 97.A O no hydrogen 3.201 N/A MET 101.A N SER 403.A OG no hydrogen 3.290 N/A GLN 102.A N LEU 98.A O no hydrogen 3.172 N/A GLN 102.A NE2 GLN 102.A O no hydrogen 3.192 N/A TRP 103.A N LEU 99.A O no hydrogen 2.763 N/A TRP 103.A NE1 THR 307.A OG1 no hydrogen 2.961 N/A GLY 104.A N PHE 100.A O no hydrogen 3.396 N/A GLN 105.A N MET 101.A O no hydrogen 3.378 N/A ILE 106.A N GLN 102.A O no hydrogen 3.072 N/A VAL 107.A N TRP 103.A O no hydrogen 2.732 N/A ASP 108.A N GLY 104.A O no hydrogen 2.960 N/A HIS 109.A N GLN 105.A O no hydrogen 2.823 N/A ASP 110.A N ILE 106.A O no hydrogen 2.955 N/A ASP 110.A N VAL 107.A O no hydrogen 2.953 N/A LEU 111.A N VAL 107.A O no hydrogen 3.072 N/A ASP 112.A N ASP 108.A O no hydrogen 3.091 N/A PHE 113.A N ASN 181.A OD1 no hydrogen 3.097 N/A THR 117.A N ARG 162.A O no hydrogen 3.034 N/A THR 127.A OG1 HIS 124.A O no hydrogen 2.967 N/A GLN 128.A N HIS 124.A O no hydrogen 2.554 N/A CYS 129.A N SER 125.A O no hydrogen 3.108 N/A GLU 130.A N LYS 126.A O no hydrogen 2.882 N/A GLU 131.A N THR 127.A O no hydrogen 2.663 N/A TYR 132.A N GLN 128.A O no hydrogen 3.212 N/A GLN 135.A NE2 TRP 61.A O no hydrogen 2.564 N/A GLY 136.A N CYS 139.A O no hydrogen 2.910 N/A CYS 139.A N GLY 136.A O no hydrogen 2.979 N/A CYS 139.A SG ILE 134.A O no hydrogen 3.431 N/A PHE 140.A N PHE 160.A O no hydrogen 3.041 N/A ILE 142.A N MET 158.A O no hydrogen 2.892 N/A PHE 144.A N LYS 156.A O no hydrogen 3.060 N/A ASP 148.A N PRO 145.A O no hydrogen 3.223 N/A LYS 150.A N ASP 148.A OD1 no hydrogen 2.916 N/A LYS 150.A NZ GLN 154.A OE1 no hydrogen 2.625 N/A LYS 150.A NZ ASN 418.A O no hydrogen 2.696 N/A LYS 150.A NZ GLY 429.A O no hydrogen 2.694 N/A LEU 151.A N ASP 148.A O no hydrogen 2.894 N/A LYS 152.A N PRO 149.A O no hydrogen 2.961 N/A THR 153.A N LYS 150.A O no hydrogen 3.200 N/A GLN 154.A N LYS 150.A O no hydrogen 2.647 N/A GLN 154.A NE2 GLY 429.A O no hydrogen 3.098 N/A MET 158.A N ILE 142.A O no hydrogen 2.782 N/A ARG 162.A N ASN 138.A O no hydrogen 3.002 N/A ARG 162.A NE ASP 442.A OD1 no hydrogen 2.690 N/A ARG 162.A NH1 ALA 56.A O no hydrogen 2.926 N/A ARG 162.A NH2 ALA 56.A O no hydrogen 2.663 N/A ARG 162.A NH2 ASP 442.A O no hydrogen 2.772 N/A ARG 162.A NH2 ASP 442.A OD1 no hydrogen 3.289 N/A ALA 163.A N ASP 442.A OD2 no hydrogen 2.768 N/A GLY 164.A N PRO 115.A O no hydrogen 3.133 N/A VAL 166.A N GLU 178.A O no hydrogen 3.057 N/A ARG 177.A N LEU 55.A O no hydrogen 2.537 N/A ARG 177.A NH2 ASN 138.A OD1 no hydrogen 3.376 N/A GLN 179.A NE2 TYR 51.A OH no hydrogen 2.982 N/A ILE 180.A N GLY 164.A O no hydrogen 2.868 N/A ASN 181.A N ARG 41.A O no hydrogen 2.856 N/A ASN 181.A ND2 LEU 111.A O no hydrogen 3.145 N/A ALA 182.A N PHE 113.A O no hydrogen 2.955 N/A VAL 183.A N ASN 181.A OD1 no hydrogen 3.491 N/A THR 184.A OG1 ASP 188.A OD1 no hydrogen 3.065 N/A THR 184.A OG1 ASP 188.A OD2 no hydrogen 2.481 N/A THR 184.A OG1 SER 190.A OG no hydrogen 3.085 N/A SER 185.A N GLY 37.A O no hydrogen 2.949 N/A ASP 188.A N ASP 110.A OD1 no hydrogen 3.311 N/A SER 190.A N ASP 188.A OD1 no hydrogen 3.327 N/A SER 190.A OG ASP 110.A OD1 no hydrogen 3.109 N/A SER 190.A OG THR 184.A OG1 no hydrogen 3.085 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 3.019 N/A VAL 192.A N ALA 189.A O no hydrogen 2.909 N/A TYR 193.A N ALA 189.A O no hydrogen 3.040 N/A TYR 193.A OH HIS 272.A ND1 no hydrogen 2.547 N/A GLY 194.A N SER 190.A O no hydrogen 2.756 N/A ALA 199.A N GLU 196.A O no hydrogen 3.245 N/A SER 200.A N PRO 197.A O no hydrogen 3.392 N/A ARG 201.A N LEU 198.A O no hydrogen 3.078 N/A LEU 202.A N LEU 198.A O no hydrogen 3.070 N/A ARG 203.A NH1 GLU 289.A OE1 no hydrogen 2.603 N/A ASN 204.A N LEU 211.A O no hydrogen 2.987 N/A SER 206.A N ASN 204.A OD1 no hydrogen 3.247 N/A SER 206.A OG ASN 204.A OD1 no hydrogen 3.484 N/A LEU 209.A N SER 207.A O no hydrogen 2.527 N/A MET 212.A N ASN 273.A OD1 no hydrogen 2.827 N/A ALA 213.A N LEU 202.A O no hydrogen 2.552 N/A ASN 215.A N TYR 225.A O no hydrogen 2.939 N/A ASN 215.A ND2 LEU 226.A O no hydrogen 2.979 N/A GLU 217.A N ASN 215.A OD1 no hydrogen 2.670 N/A ASP 220.A N LEU 223.A O no hydrogen 2.596 N/A HIS 221.A ND1 ASP 220.A OD1 no hydrogen 2.669 N/A LEU 223.A N ASP 220.A O no hydrogen 2.595 N/A ASN 229.A N CYS 247.A O no hydrogen 2.792 N/A ASN 230.A N ASN 229.A OD1 no hydrogen 2.476 N/A CYS 236.A SG PHE 380.A O no hydrogen 3.307 N/A PHE 238.A N SER 234.A O no hydrogen 3.035 N/A ILE 239.A N PRO 235.A O no hydrogen 3.152 N/A ASN 240.A N GLU 237.A O no hydrogen 3.032 N/A THR 242.A N ASN 240.A OD1 no hydrogen 3.052 N/A ALA 243.A N ASN 240.A OD1 no hydrogen 3.172 N/A ARG 244.A N ASN 240.A O no hydrogen 3.278 N/A CYS 247.A SG SER 234.A OG no hydrogen 3.556 N/A PHE 248.A N SER 256.A OG no hydrogen 2.976 N/A LEU 249.A N PRO 227.A O no hydrogen 2.763 N/A ASP 252.A N LEU 191.A O no hydrogen 3.015 N/A ARG 254.A N ASP 252.A OD2 no hydrogen 2.860 N/A ARG 254.A NE ASP 252.A OD1 no hydrogen 3.282 N/A ARG 254.A NE ASP 252.A OD2 no hydrogen 2.975 N/A ARG 254.A NH1 ASP 112.A O no hydrogen 2.927 N/A ARG 254.A NH2 ASP 112.A O no hydrogen 3.191 N/A ARG 254.A NH2 ASP 252.A OD1 no hydrogen 2.791 N/A ALA 255.A N ASP 252.A O no hydrogen 3.490 N/A GLU 257.A N ARG 254.A O no hydrogen 2.832 N/A GLN 258.A NE2 GLN 102.A OE1 no hydrogen 2.774 N/A LEU 260.A N GLN 258.A OE1 no hydrogen 2.943 N/A LEU 261.A N GLN 258.A O no hydrogen 2.911 N/A ALA 262.A N GLN 258.A O no hydrogen 3.111 N/A THR 263.A N ILE 259.A O no hydrogen 3.138 N/A THR 263.A OG1 ILE 259.A O no hydrogen 2.629 N/A ALA 264.A N LEU 260.A O no hydrogen 3.369 N/A HIS 265.A N LEU 261.A O no hydrogen 2.998 N/A THR 266.A N ALA 262.A O no hydrogen 2.765 N/A THR 266.A OG1 ALA 262.A O no hydrogen 2.992 N/A LEU 267.A N THR 263.A O no hydrogen 2.919 N/A LEU 268.A N ALA 264.A O no hydrogen 3.012 N/A LEU 269.A N HIS 265.A O no hydrogen 3.040 N/A ARG 270.A N THR 266.A O no hydrogen 3.385 N/A ARG 270.A NE ALA 224.A O no hydrogen 2.817 N/A ARG 270.A NH1 ASN 555.A O no hydrogen 2.661 N/A ARG 270.A NH2 ASP 220.A OD2 no hydrogen 3.036 N/A ARG 270.A NH2 ALA 224.A O no hydrogen 2.953 N/A GLU 271.A N LEU 267.A O no hydrogen 3.288 N/A HIS 272.A N LEU 268.A O no hydrogen 3.183 N/A HIS 272.A ND1 TYR 193.A OH no hydrogen 2.547 N/A HIS 272.A NE2 GLY 210.A O no hydrogen 2.890 N/A ASN 273.A N LEU 269.A O no hydrogen 3.374 N/A ASN 273.A ND2 MET 212.A O no hydrogen 3.159 N/A ARG 274.A N ARG 270.A O no hydrogen 2.778 N/A ARG 274.A NE GLU 271.A OE1 no hydrogen 3.194 N/A ARG 274.A NH2 GLU 271.A OE1 no hydrogen 3.426 N/A ARG 274.A NH2 GLU 271.A OE2 no hydrogen 3.327 N/A LEU 275.A N GLU 271.A O no hydrogen 2.868 N/A ALA 276.A N HIS 272.A O no hydrogen 2.752 N/A ARG 277.A N ASN 273.A O no hydrogen 2.868 N/A GLU 278.A N ARG 274.A O no hydrogen 3.058 N/A LEU 279.A N LEU 275.A O no hydrogen 2.884 N/A LYS 280.A N ARG 277.A O no hydrogen 3.278 N/A LYS 281.A N ARG 277.A O no hydrogen 3.242 N/A LEU 282.A N GLU 278.A O no hydrogen 3.258 N/A ASN 283.A N LEU 279.A O no hydrogen 2.953 N/A ASN 283.A ND2 SER 591.A O no hydrogen 3.096 N/A HIS 285.A N HIS 285.A ND1 no hydrogen 2.704 N/A HIS 285.A NE2 SER 591.A O no hydrogen 3.065 N/A LYS 290.A N ASN 287.A OD1 no hydrogen 2.929 N/A LYS 290.A NZ TYR 21.A OH no hydrogen 2.688 N/A LYS 290.A NZ GLU 294.A OE1 no hydrogen 3.196 N/A LEU 291.A N ASN 287.A O no hydrogen 2.946 N/A TYR 292.A N GLY 288.A O no hydrogen 2.808 N/A GLN 293.A N GLU 289.A O no hydrogen 2.865 N/A GLN 293.A NE2 GLU 289.A OE2 no hydrogen 2.869 N/A GLU 294.A N LYS 290.A O no hydrogen 3.136 N/A GLU 294.A N LEU 291.A O no hydrogen 3.280 N/A ALA 295.A N LEU 291.A O no hydrogen 2.998 N/A ALA 295.A N TYR 292.A O no hydrogen 3.071 N/A ARG 296.A N TYR 292.A O no hydrogen 2.791 N/A ARG 296.A NH1 ARG 22.A O no hydrogen 3.051 N/A ARG 296.A NH1 GLN 293.A OE1 no hydrogen 3.242 N/A ARG 296.A NH2 THR 23.A O no hydrogen 3.060 N/A LYS 297.A N GLN 293.A O no hydrogen 3.011 N/A LYS 297.A NZ VAL 534.A O no hydrogen 2.935 N/A ILE 298.A N GLU 294.A O no hydrogen 3.284 N/A LEU 299.A N ALA 295.A O no hydrogen 2.804 N/A GLY 300.A N ARG 296.A O no hydrogen 3.226 N/A ALA 301.A N LYS 297.A O no hydrogen 3.194 N/A PHE 302.A N ILE 298.A O no hydrogen 2.946 N/A ILE 303.A N LEU 299.A O no hydrogen 3.098 N/A GLN 304.A N GLY 300.A O no hydrogen 2.914 N/A GLN 304.A NE2 LEU 187.A O no hydrogen 3.154 N/A ILE 305.A N ALA 301.A O no hydrogen 2.952 N/A ILE 306.A N PHE 302.A O no hydrogen 2.944 N/A THR 307.A N ILE 303.A O no hydrogen 3.032 N/A THR 307.A OG1 ILE 303.A O no hydrogen 2.681 N/A PHE 308.A N GLN 304.A O no hydrogen 2.791 N/A ARG 309.A N ILE 305.A O no hydrogen 2.767 N/A ARG 309.A NE ASP 310.A OD1 no hydrogen 2.811 N/A ARG 309.A NH1 VAL 546.A O no hydrogen 3.076 N/A ARG 309.A NH2 ASP 310.A OD1 no hydrogen 3.499 N/A ARG 309.A NH2 ASP 310.A OD2 no hydrogen 2.912 N/A ARG 309.A NH2 VAL 546.A O no hydrogen 2.682 N/A ASP 310.A N ILE 306.A O no hydrogen 3.059 N/A TYR 311.A N ILE 306.A O no hydrogen 2.800 N/A LEU 312.A N THR 307.A O no hydrogen 2.742 N/A ILE 314.A N TYR 311.A O no hydrogen 3.271 N/A VAL 315.A N LEU 312.A O no hydrogen 3.137 N/A LEU 316.A N LEU 312.A O no hydrogen 2.950 N/A GLY 317.A N PRO 313.A O no hydrogen 3.125 N/A SER 318.A N GLU 502.A O no hydrogen 2.710 N/A SER 318.A OG GLU 319.A OE2 no hydrogen 3.411 N/A SER 318.A OG GLU 502.A O no hydrogen 3.443 N/A MET 320.A N GLY 317.A O no hydrogen 3.042 N/A LYS 322.A N GLU 319.A O no hydrogen 3.000 N/A TRP 323.A N GLU 319.A O no hydrogen 3.273 N/A TRP 323.A N MET 320.A O no hydrogen 3.098 N/A ILE 324.A N MET 320.A O no hydrogen 2.756 N/A ASN 331.A N ASP 523.A O no hydrogen 2.994 N/A SER 333.A N ASN 331.A OD1 no hydrogen 2.607 N/A VAL 334.A N ASN 331.A O no hydrogen 3.482 N/A ARG 337.A NE ASP 335.A OD1 no hydrogen 3.270 N/A SER 339.A N GLN 517.A OE1 no hydrogen 2.747 N/A SER 339.A OG GLN 517.A OE1 no hydrogen 3.209 N/A ASN 340.A N ALA 44.A O no hydrogen 2.899 N/A ASN 340.A ND2 GLN 179.A OE1 no hydrogen 2.998 N/A PHE 342.A N SER 339.A OG no hydrogen 3.346 N/A THR 343.A N ASN 340.A O no hydrogen 3.246 N/A THR 343.A OG1 ASN 340.A O no hydrogen 2.865 N/A PHE 344.A N VAL 341.A O no hydrogen 2.970 N/A ALA 345.A N VAL 341.A O no hydrogen 2.959 N/A PHE 346.A N PHE 342.A O no hydrogen 2.888 N/A ARG 347.A N PHE 344.A O no hydrogen 3.024 N/A ARG 347.A NE THR 343.A O no hydrogen 2.833 N/A ARG 347.A NH1 ASN 436.A OD1 no hydrogen 2.696 N/A PHE 348.A N ALA 345.A O no hydrogen 3.353 N/A GLY 349.A N PHE 346.A O no hydrogen 3.454 N/A HIS 350.A N ARG 347.A O no hydrogen 3.259 N/A MET 351.A N PHE 348.A O no hydrogen 3.108 N/A GLU 352.A N GLY 349.A O no hydrogen 2.786 N/A VAL 357.A N LEU 373.A O no hydrogen 3.030 N/A ARG 359.A N ALA 371.A O no hydrogen 2.870 N/A ARG 359.A NE ALA 371.A O no hydrogen 3.201 N/A ARG 359.A NH1 ASP 388.A OD2 no hydrogen 3.010 N/A ARG 359.A NH2 GLU 370.A O no hydrogen 2.766 N/A ARG 359.A NH2 ASP 388.A OD2 no hydrogen 3.378 N/A LEU 360.A N PRO 393.A O no hydrogen 3.102 N/A ASP 361.A N GLN 365.A O no hydrogen 2.757 N/A ASN 363.A N ASP 361.A OD1 no hydrogen 2.726 N/A TYR 364.A N ASP 361.A O no hydrogen 2.457 N/A TYR 364.A OH LYS 560.A O no hydrogen 2.369 N/A GLN 365.A N ASP 361.A OD1 no hydrogen 3.235 N/A TRP 367.A N ARG 359.A O no hydrogen 2.997 N/A LEU 373.A N VAL 357.A O no hydrogen 2.837 N/A LEU 375.A N SER 355.A O no hydrogen 2.844 N/A HIS 376.A N GLU 415.A OE2 no hydrogen 3.258 N/A HIS 376.A ND1 GLU 415.A OE2 no hydrogen 2.666 N/A THR 377.A N PRO 374.A O no hydrogen 2.814 N/A THR 377.A OG1 PRO 374.A O no hydrogen 3.055 N/A LEU 378.A N LEU 375.A O no hydrogen 2.924 N/A PHE 380.A N GLU 257.A O no hydrogen 3.050 N/A ASN 381.A ND2 THR 377.A O no hydrogen 2.824 N/A THR 382.A OG1 PRO 246.A O no hydrogen 2.821 N/A ARG 384.A N ASN 381.A OD1 no hydrogen 2.856 N/A ARG 384.A NH1 ASP 388.A OD2 no hydrogen 3.390 N/A ILE 385.A N THR 382.A O no hydrogen 2.830 N/A ILE 386.A N THR 382.A O no hydrogen 3.068 N/A LYS 387.A N TRP 383.A O no hydrogen 2.844 N/A GLY 390.A N ILE 385.A O no hydrogen 2.972 N/A ILE 391.A N ASP 220.A OD2 no hydrogen 3.473 N/A VAL 395.A N ILE 391.A O no hydrogen 2.959 N/A ARG 396.A N ASP 392.A O no hydrogen 3.266 N/A ARG 396.A NH1 LEU 360.A O no hydrogen 2.586 N/A GLY 397.A N PRO 393.A O no hydrogen 3.357 N/A LEU 398.A N LEU 394.A O no hydrogen 3.052 N/A LEU 399.A N VAL 395.A O no hydrogen 3.114 N/A LEU 399.A N ARG 396.A O no hydrogen 2.954 N/A ALA 400.A N ARG 396.A O no hydrogen 2.743 N/A LYS 401.A N GLY 397.A O no hydrogen 2.771 N/A SER 403.A N ARG 96.A O no hydrogen 3.067 N/A SER 403.A OG SER 97.A O no hydrogen 2.767 N/A LYS 404.A N GLU 352.A O no hydrogen 2.789 N/A LYS 404.A NZ MET 351.A O no hydrogen 2.981 N/A LYS 404.A NZ LEU 405.A O no hydrogen 2.792 N/A LYS 404.A NZ LYS 410.A O no hydrogen 2.905 N/A LYS 404.A NZ MET 411.A O no hydrogen 3.048 N/A LEU 405.A N VAL 91.A O no hydrogen 2.906 N/A GLN 408.A NE2 LEU 470.A O no hydrogen 2.852 N/A GLN 408.A NE2 ALA 497.A O no hydrogen 2.682 N/A ASP 409.A N ASN 407.A OD1 no hydrogen 2.851 N/A LYS 410.A N ASN 407.A O no hydrogen 3.057 N/A LYS 410.A NZ ASP 87.A O no hydrogen 2.715 N/A VAL 412.A N VAL 83.A O no hydrogen 3.226 N/A THR 413.A OG1 GLU 88.A OE2 no hydrogen 2.634 N/A GLU 415.A N THR 413.A OG1 no hydrogen 3.418 N/A LEU 416.A N THR 413.A O no hydrogen 2.890 N/A ARG 417.A N THR 413.A O no hydrogen 2.976 N/A ARG 417.A NH1 SER 79.A OG no hydrogen 2.776 N/A ARG 417.A NH1 ASN 80.A OD1 no hydrogen 3.144 N/A ASN 418.A N SER 414.A O no hydrogen 2.923 N/A ASN 418.A ND2 SER 414.A OG no hydrogen 3.310 N/A LYS 419.A N SER 414.A O no hydrogen 3.156 N/A LEU 420.A N PHE 430.A O no hydrogen 3.143 N/A HIS 425.A N GLN 422.A O no hydrogen 3.001 N/A PHE 430.A N LEU 420.A O no hydrogen 2.973 N/A LEU 432.A N LEU 416.A O no hydrogen 3.002 N/A ALA 434.A N ASP 431.A OD1 no hydrogen 2.985 N/A ILE 435.A N ASP 431.A O no hydrogen 2.995 N/A ASN 436.A N LEU 432.A O no hydrogen 2.899 N/A ASN 436.A ND2 HIS 350.A ND1 no hydrogen 2.658 N/A LEU 437.A N ALA 433.A O no hydrogen 3.144 N/A GLN 438.A N ALA 434.A O no hydrogen 2.859 N/A GLN 438.A NE2 PHE 140.A O no hydrogen 3.177 N/A ARG 439.A N ILE 435.A O no hydrogen 2.791 N/A ARG 439.A NH1 PHE 161.A O no hydrogen 2.623 N/A ARG 439.A NH1 ASP 442.A OD2 no hydrogen 3.230 N/A CYS 440.A N ASN 436.A O no hydrogen 2.816 N/A ARG 441.A N GLN 438.A O no hydrogen 3.207 N/A ARG 441.A NE ASP 490.A OD1 no hydrogen 2.983 N/A ARG 441.A NH1 PRO 73.A O no hydrogen 2.979 N/A ARG 441.A NH2 PRO 73.A O no hydrogen 2.804 N/A ARG 441.A NH2 ASP 490.A OD2 no hydrogen 2.982 N/A ASP 442.A N GLN 438.A O no hydrogen 2.873 N/A HIS 443.A N ARG 439.A O no hydrogen 3.092 N/A HIS 443.A ND1 ASN 340.A OD1 no hydrogen 2.571 N/A GLY 444.A N ARG 441.A O no hydrogen 2.920 N/A MET 445.A N CYS 440.A O no hydrogen 3.274 N/A TYR 448.A N ILE 489.A O no hydrogen 2.846 N/A TYR 448.A OH GLU 498.A OE2 no hydrogen 2.415 N/A ASN 449.A ND2 PRO 460.A O no hydrogen 2.935 N/A ASN 449.A ND2 ASP 487.A OD1 no hydrogen 2.922 N/A TRP 451.A N GLY 447.A O no hydrogen 3.301 N/A ARG 452.A N TYR 448.A O no hydrogen 2.964 N/A ARG 452.A NE SER 458.A O no hydrogen 2.694 N/A ARG 452.A NH1 GLU 498.A OE2 no hydrogen 2.904 N/A ARG 452.A NH2 SER 458.A O no hydrogen 3.134 N/A ARG 452.A NH2 SER 458.A OG no hydrogen 2.979 N/A GLY 453.A N ASN 449.A O no hydrogen 2.785 N/A PHE 454.A N SER 450.A O no hydrogen 2.960 N/A CYS 455.A N TRP 451.A O no hydrogen 2.978 N/A GLY 456.A N GLY 453.A O no hydrogen 2.826 N/A LEU 457.A N ARG 452.A O no hydrogen 2.800 N/A LYS 461.A NZ ASP 487.A OD1 no hydrogen 3.025 N/A GLY 465.A N THR 462.A OG1 no hydrogen 3.279 N/A LEU 466.A N THR 462.A O no hydrogen 2.783 N/A GLN 467.A N LEU 463.A O no hydrogen 2.633 N/A THR 468.A N LYS 464.A O no hydrogen 3.126 N/A THR 468.A OG1 LYS 464.A O no hydrogen 2.654 N/A VAL 469.A N GLY 465.A O no hydrogen 3.074 N/A LEU 470.A N LEU 466.A O no hydrogen 2.787 N/A ASN 472.A ND2 GLN 408.A OE1 no hydrogen 2.963 N/A LEU 475.A N ASN 472.A OD1 no hydrogen 2.943 N/A ALA 476.A N ASN 472.A O no hydrogen 3.175 N/A LYS 477.A N LYS 473.A O no hydrogen 3.117 N/A LYS 478.A N ILE 474.A O no hydrogen 3.178 N/A LEU 479.A N LEU 475.A O no hydrogen 3.047 N/A MET 480.A N ALA 476.A O no hydrogen 2.987 N/A ASP 481.A N LYS 477.A O no hydrogen 2.950 N/A LEU 482.A N LYS 478.A O no hydrogen 2.975 N/A TYR 483.A N LEU 479.A O no hydrogen 2.655 N/A TYR 483.A OH ASP 490.A OD2 no hydrogen 2.632 N/A LYS 484.A N MET 480.A O no hydrogen 2.694 N/A LYS 484.A NZ ASP 481.A O no hydrogen 2.897 N/A ASP 487.A N THR 485.A OG1 no hydrogen 3.243 N/A ASN 488.A N THR 485.A O no hydrogen 2.457 N/A ASN 488.A ND2 ARG 67.A O no hydrogen 2.604 N/A ILE 489.A N PRO 486.A O no hydrogen 3.457 N/A TRP 492.A NE1 ARG 347.A O no hydrogen 3.314 N/A GLY 494.A N ASP 490.A O no hydrogen 2.893 N/A GLY 495.A N ILE 491.A O no hydrogen 2.840 N/A ASN 496.A N TRP 492.A O no hydrogen 3.164 N/A ASN 496.A ND2 TRP 492.A O no hydrogen 2.625 N/A ALA 497.A N GLY 494.A O no hydrogen 3.126 N/A VAL 501.A N VAL 506.A O no hydrogen 2.980 N/A GLY 504.A N VAL 501.A O no hydrogen 3.073 N/A ARG 505.A N VAL 315.A O no hydrogen 2.552 N/A ARG 505.A NE ASP 93.A OD1 no hydrogen 3.515 N/A ARG 505.A NE ASP 93.A OD2 no hydrogen 2.983 N/A ARG 505.A NH1 GLY 504.A O no hydrogen 2.903 N/A ARG 505.A NH2 ASP 93.A OD1 no hydrogen 3.100 N/A LEU 509.A N GLU 498.A OE1 no hydrogen 3.095 N/A ALA 511.A N GLY 507.A O no hydrogen 2.918 N/A CYS 512.A N PRO 508.A O no hydrogen 3.069 N/A CYS 512.A N LEU 509.A O no hydrogen 3.208 N/A LEU 513.A N LEU 509.A O no hydrogen 3.007 N/A LEU 514.A N LEU 510.A O no hydrogen 2.751 N/A GLY 515.A N ALA 511.A O no hydrogen 2.859 N/A ARG 516.A N CYS 512.A O no hydrogen 2.939 N/A GLN 517.A N LEU 513.A O no hydrogen 3.399 N/A GLN 517.A NE2 ARG 337.A O no hydrogen 2.723 N/A GLN 517.A NE2 GLN 517.A O no hydrogen 3.665 N/A PHE 518.A N LEU 514.A O no hydrogen 3.068 N/A GLN 519.A N GLY 515.A O no hydrogen 3.264 N/A GLN 519.A NE2 ASP 523.A OD2 no hydrogen 2.695 N/A GLN 520.A N ARG 516.A O no hydrogen 3.102 N/A ILE 521.A N GLN 517.A O no hydrogen 2.892 N/A ARG 522.A N PHE 518.A O no hydrogen 3.165 N/A ARG 522.A NE ASP 523.A OD1 no hydrogen 2.828 N/A ARG 522.A NH1 PRO 325.A O no hydrogen 2.732 N/A ARG 522.A NH2 PRO 325.A O no hydrogen 3.176 N/A ARG 522.A NH2 ASP 523.A OD1 no hydrogen 3.138 N/A ASP 523.A N GLN 519.A O no hydrogen 2.985 N/A GLY 524.A N GLN 520.A O no hydrogen 2.908 N/A ASP 525.A N ARG 522.A O no hydrogen 3.213 N/A ARG 526.A N ASN 29.A OD1 no hydrogen 2.858 N/A ARG 526.A NE ASN 29.A O no hydrogen 2.889 N/A ARG 526.A NH2 CYS 28.A O no hydrogen 2.883 N/A PHE 527.A N ASP 525.A OD1 no hydrogen 3.448 N/A TRP 528.A N ASP 525.A O no hydrogen 3.350 N/A TRP 529.A N GLN 304.A OE1 no hydrogen 3.028 N/A ASN 531.A N TRP 528.A O no hydrogen 2.993 N/A ASN 531.A ND2 ARG 526.A O no hydrogen 2.782 N/A VAL 534.A N ASN 531.A O no hydrogen 3.043 N/A THR 536.A N GLN 539.A OE1 no hydrogen 2.846 N/A GLN 539.A N THR 536.A O no hydrogen 3.104 N/A ARG 540.A N THR 536.A O no hydrogen 3.321 N/A SER 542.A N LYS 538.A O no hydrogen 3.286 N/A SER 542.A OG LYS 538.A O no hydrogen 2.976 N/A SER 542.A OG ASP 585.A O no hydrogen 2.999 N/A LEU 543.A N GLN 539.A O no hydrogen 3.222 N/A GLN 544.A N ARG 540.A O no hydrogen 3.106 N/A LYS 545.A N SER 542.A O no hydrogen 3.372 N/A VAL 546.A N LEU 543.A O no hydrogen 3.119 N/A SER 549.A OG PRO 562.A O no hydrogen 2.351 N/A ARG 550.A N SER 547.A OG no hydrogen 3.075 N/A ARG 550.A NE ASP 554.A OD1 no hydrogen 2.962 N/A ARG 550.A NE ASP 554.A OD2 no hydrogen 3.517 N/A ARG 550.A NH1 VAL 581.A O no hydrogen 3.148 N/A ARG 550.A NH2 ASP 554.A OD1 no hydrogen 3.168 N/A LEU 551.A N SER 547.A O no hydrogen 3.160 N/A ILE 552.A N PHE 548.A O no hydrogen 3.167 N/A CYS 553.A N SER 549.A O no hydrogen 3.079 N/A CYS 553.A SG SER 549.A O no hydrogen 3.242 N/A ASP 554.A N ARG 550.A O no hydrogen 2.819 N/A ASN 555.A N LEU 551.A O no hydrogen 3.050 N/A ASN 555.A N ILE 552.A O no hydrogen 3.135 N/A ASN 555.A ND2 GLU 271.A OE1 no hydrogen 3.074 N/A ASN 555.A ND2 LEU 551.A O no hydrogen 3.093 N/A THR 556.A OG1 ILE 552.A O no hydrogen 2.552 N/A HIS 557.A N ASP 392.A OD2 no hydrogen 3.369 N/A ILE 558.A N THR 556.A OG1 no hydrogen 3.032 N/A LYS 560.A NZ ASP 577.A OD2 no hydrogen 2.881 N/A VAL 561.A N VAL 576.A O no hydrogen 3.024 N/A GLN 567.A N HIS 564.A O no hydrogen 3.363 N/A ASN 569.A ND2 HIS 564.A O no hydrogen 2.930 N/A ASN 570.A N ASP 574.A OD2 no hydrogen 2.759 N/A ASP 574.A N ASN 570.A O no hydrogen 2.726 N/A PHE 575.A N PRO 572.A O no hydrogen 2.953 N/A VAL 576.A N VAL 561.A O no hydrogen 2.986 N/A CYS 578.A N THR 559.A O no hydrogen 2.968 N/A CYS 578.A SG ILE 558.A O no hydrogen 3.537 N/A SER 579.A N ASP 577.A OD1 no hydrogen 3.176 N/A SER 579.A OG ASP 577.A OD1 no hydrogen 3.204 N/A THR 580.A N ASP 577.A O no hydrogen 2.961 N/A VAL 581.A N CYS 578.A O no hydrogen 3.130 N/A SER 587.A OG ASP 585.A OD1 no hydrogen 3.293 N/A TRP 589.A N LEU 586.A O no hydrogen 3.074 N/A ALA 590.A N SER 587.A O no hydrogen 3.316 N/A