Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5whq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ARG 1.A O no hydrogen 1.971 N/A SER 3.A OG ARG 1.A O no hydrogen 2.453 N/A VAL 5.A N SER 3.A O no hydrogen 2.325 N/A GLY 8.A N VAL 5.A O no hydrogen 3.030 N/A ARG 11.A N ASP 14.A OD2 no hydrogen 2.514 N/A ASP 14.A N ARG 11.A O no hydrogen 3.257 N/A TRP 16.A N ASN 12.A O no hydrogen 2.806 N/A GLN 19.A N TRP 16.A O no hydrogen 3.307 N/A LEU 20.A N GLN 19.A OE1 no hydrogen 3.254 N/A ASN 23.A ND2 GLU 172.A OE1 no hydrogen 3.334 N/A LEU 25.A N LEU 22.A O no hydrogen 3.145 N/A ARG 26.A N ASN 23.A O no hydrogen 2.781 N/A HIS 28.A N GLU 169.A OE1 no hydrogen 2.774 N/A SER 32.A N THR 29.A O no hydrogen 3.204 N/A SER 32.A OG THR 29.A O no hydrogen 2.740 N/A SER 32.A OG GLU 169.A OE2 no hydrogen 3.121 N/A ASN 33.A N PRO 30.A O no hydrogen 2.680 N/A LEU 35.A N ASN 33.A OD1 no hydrogen 2.812 N/A PHE 39.A N ASP 36.A O no hydrogen 2.999 N/A TYR 41.A OH ASP 140.A OD2 no hydrogen 2.594 N/A ALA 44.A N ASP 40.A O no hydrogen 3.280 N/A PHE 45.A N TYR 41.A O no hydrogen 2.640 N/A LYS 46.A N ALA 42.A O no hydrogen 3.104 N/A SER 47.A N ALA 44.A O no hydrogen 3.103 N/A SER 47.A OG ALA 43.A O no hydrogen 3.447 N/A LEU 48.A N PHE 45.A O no hydrogen 2.934 N/A TYR 50.A OH GLU 408.A OE2 no hydrogen 3.026 N/A GLY 52.A N ASP 49.A OD1 no hydrogen 2.823 N/A LEU 53.A N ASP 49.A O no hydrogen 2.992 N/A LYS 54.A N TYR 50.A O no hydrogen 3.142 N/A LYS 54.A NZ GLU 408.A OE1 no hydrogen 2.647 N/A LYS 55.A N GLU 51.A O no hydrogen 3.104 N/A ASP 56.A N GLY 52.A O no hydrogen 3.154 N/A LEU 57.A N LEU 53.A O no hydrogen 3.143 N/A THR 58.A N LYS 54.A O no hydrogen 3.283 N/A THR 58.A OG1 LYS 54.A O no hydrogen 3.392 N/A THR 58.A OG1 LYS 55.A O no hydrogen 2.646 N/A LYS 59.A N LYS 55.A O no hydrogen 2.980 N/A LEU 60.A N ASP 56.A O no hydrogen 3.017 N/A MET 61.A N LEU 57.A O no hydrogen 2.716 N/A THR 62.A OG1 LYS 59.A O no hydrogen 3.456 N/A ASP 63.A N LEU 60.A O no hydrogen 2.972 N/A SER 64.A N THR 62.A O no hydrogen 2.865 N/A GLN 65.A N TYR 75.A OH no hydrogen 2.741 N/A GLN 65.A NE2 ASP 63.A O no hydrogen 3.284 N/A ALA 70.A N SER 64.A OG no hydrogen 2.867 N/A PHE 72.A N ALA 344.A O no hydrogen 3.129 N/A GLY 73.A N ALA 70.A O no hydrogen 3.050 N/A HIS 74.A N ASP 71.A O no hydrogen 3.142 N/A TYR 75.A N MET 61.A O no hydrogen 3.056 N/A TYR 75.A OH TRP 68.A O no hydrogen 2.614 N/A GLY 76.A N HIS 74.A ND1 no hydrogen 3.323 N/A PHE 79.A N TYR 75.A O no hydrogen 2.814 N/A ILE 80.A N GLY 76.A O no hydrogen 2.800 N/A ARG 81.A NH1 VAL 116.A O no hydrogen 3.402 N/A ARG 81.A NH2 VAL 116.A O no hydrogen 3.283 N/A MET 82.A N LEU 78.A O no hydrogen 3.317 N/A TRP 84.A N ILE 80.A O no hydrogen 3.007 N/A HIS 85.A N ARG 81.A O no hydrogen 2.754 N/A SER 86.A N MET 82.A O no hydrogen 2.820 N/A ALA 87.A N ALA 83.A O no hydrogen 3.012 N/A GLY 88.A N TRP 84.A O no hydrogen 2.597 N/A TYR 90.A N ALA 87.A O no hydrogen 3.137 N/A TYR 90.A OH ASP 465.A OD2 no hydrogen 2.528 N/A ARG 91.A N ARG 96.A O no hydrogen 3.346 N/A ARG 91.A NE ASP 94.A OD1 no hydrogen 2.794 N/A ARG 91.A NH1 TYR 175.A O no hydrogen 2.625 N/A VAL 92.A N ARG 233.A O no hydrogen 2.705 N/A THR 93.A OG1 PRO 198.A O no hydrogen 2.676 N/A GLY 95.A N ARG 91.A O no hydrogen 2.917 N/A ARG 96.A N ASP 94.A OD1 no hydrogen 2.903 N/A ARG 96.A NH1 ASP 94.A OD2 no hydrogen 3.370 N/A ARG 96.A NH1 ASP 583.A OD1 no hydrogen 3.487 N/A GLY 98.A N THR 89.A OG1 no hydrogen 3.381 N/A GLY 100.A N ASP 397.A OD2 no hydrogen 3.278 N/A GLY 102.A N GLY 99.A O no hydrogen 3.047 N/A GLN 103.A NE2 THR 167.A OG1 no hydrogen 2.788 N/A GLN 103.A NE2 GLU 169.A O no hydrogen 3.091 N/A GLN 104.A NE2 MET 82.A O no hydrogen 2.897 N/A ARG 105.A N GLY 102.A O no hydrogen 3.249 N/A ARG 105.A NH2 THR 167.A O no hydrogen 2.850 N/A PHE 106.A N GLN 103.A O no hydrogen 2.919 N/A ASN 110.A N PHE 106.A O no hydrogen 2.765 N/A ASN 110.A ND2 ARG 105.A O no hydrogen 3.473 N/A ASN 110.A ND2 GLU 268.A OE2 no hydrogen 2.889 N/A SER 111.A N PRO 108.A O no hydrogen 2.805 N/A SER 111.A OG ASN 110.A OD1 no hydrogen 2.639 N/A ASP 114.A N GLY 205.A O no hydrogen 2.991 N/A ASN 115.A N TRP 112.A O no hydrogen 2.853 N/A ASN 115.A ND2 LEU 109.A O no hydrogen 2.119 N/A SER 117.A OG THR 293.A OG1 no hydrogen 3.349 N/A LYS 120.A N SER 117.A O no hydrogen 3.178 N/A LYS 120.A NZ ASP 119.A OD1 no hydrogen 3.497 N/A LYS 120.A NZ GLY 278.A O no hydrogen 3.273 N/A ALA 121.A N SER 117.A O no hydrogen 3.190 N/A ARG 122.A N LEU 118.A O no hydrogen 2.684 N/A ARG 122.A NH1 GLN 104.A OE1 no hydrogen 2.894 N/A ARG 123.A N ASP 119.A O no hydrogen 3.009 N/A ARG 123.A NH1 GLN 275.A O no hydrogen 2.733 N/A ARG 123.A NH2 GLN 275.A O no hydrogen 3.061 N/A LEU 124.A N LYS 120.A O no hydrogen 3.024 N/A LEU 124.A N ALA 121.A O no hydrogen 3.149 N/A LEU 125.A N ARG 122.A O no hydrogen 3.342 N/A TRP 126.A N ARG 123.A O no hydrogen 3.282 N/A ILE 128.A N LEU 125.A O no hydrogen 2.733 N/A LYS 129.A N LEU 125.A O no hydrogen 3.002 N/A LYS 129.A NZ GLY 133.A O no hydrogen 3.117 N/A LYS 129.A NZ ILE 136.A O no hydrogen 3.113 N/A GLN 130.A N TRP 126.A O no hydrogen 2.829 N/A LYS 131.A N ILE 128.A O no hydrogen 2.801 N/A LYS 131.A NZ ASP 56.A OD2 no hydrogen 2.800 N/A LYS 131.A NZ TYR 132.A OH no hydrogen 3.299 N/A TYR 132.A N ILE 128.A O no hydrogen 3.057 N/A TYR 132.A OH ASP 56.A OD2 no hydrogen 3.006 N/A SER 137.A N TYR 41.A OH no hydrogen 2.701 N/A SER 137.A OG TYR 41.A OH no hydrogen 3.199 N/A SER 137.A OG ARG 164.A O no hydrogen 2.655 N/A TRP 138.A N ASP 166.A OD2 no hydrogen 2.986 N/A SER 139.A N ASP 166.A OD1 no hydrogen 3.325 N/A SER 139.A OG ASP 166.A OD1 no hydrogen 3.224 N/A ASP 140.A N SER 137.A OG no hydrogen 3.141 N/A LEU 141.A N SER 137.A O no hydrogen 3.217 N/A LEU 142.A N TRP 138.A O no hydrogen 3.231 N/A LEU 143.A N ASP 140.A O no hydrogen 2.643 N/A LEU 144.A N ASP 140.A O no hydrogen 3.007 N/A THR 145.A N LEU 141.A O no hydrogen 3.089 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.377 N/A ASN 147.A N LEU 143.A O no hydrogen 3.149 N/A ASN 147.A ND2 GLY 159.A O no hydrogen 3.385 N/A VAL 148.A N LEU 144.A O no hydrogen 2.847 N/A ALA 149.A N THR 145.A O no hydrogen 3.036 N/A LEU 150.A N GLY 146.A O no hydrogen 3.424 N/A GLU 151.A N ASN 147.A O no hydrogen 3.264 N/A SER 152.A N VAL 148.A O no hydrogen 2.970 N/A SER 152.A OG VAL 148.A O no hydrogen 3.400 N/A SER 152.A OG ALA 149.A O no hydrogen 2.928 N/A MET 153.A N LEU 150.A O no hydrogen 2.779 N/A GLY 154.A N GLU 151.A O no hydrogen 3.253 N/A PHE 155.A N LEU 150.A O no hydrogen 3.133 N/A THR 157.A OG1 GLU 151.A OE2 no hydrogen 2.761 N/A PHE 160.A N GLU 408.A O no hydrogen 2.778 N/A ALA 161.A N HIS 395.A NE2 no hydrogen 3.168 N/A GLY 162.A N ILE 405.A O no hydrogen 2.786 N/A GLY 163.A N ASP 140.A OD2 no hydrogen 3.235 N/A ARG 164.A N ASP 140.A OD1 no hydrogen 3.244 N/A ARG 164.A NE ASP 140.A OD1 no hydrogen 2.983 N/A ARG 164.A NH2 ASP 140.A OD1 no hydrogen 3.529 N/A THR 167.A OG1 GLU 101.A O no hydrogen 2.728 N/A ASP 171.A N GLN 103.A OE1 no hydrogen 2.911 N/A GLU 172.A N GLN 27.A OE1 no hydrogen 3.088 N/A SER 173.A N ASP 171.A OD1 no hydrogen 3.251 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.939 N/A LEU 183.A N MET 204.A O no hydrogen 2.609 N/A GLY 184.A N THR 181.A O no hydrogen 2.944 N/A ASP 187.A N ASN 185.A O no hydrogen 2.496 N/A ARG 188.A N GLU 179.A OE2 no hydrogen 3.172 N/A ARG 188.A NE GLU 179.A OE1 no hydrogen 3.304 N/A ARG 188.A NH1 GLU 179.A OE1 no hydrogen 3.208 N/A ARG 188.A NH2 SER 201.A O no hydrogen 1.946 N/A SER 190.A OG TYR 189.A O no hydrogen 2.659 N/A ASN 192.A N HIS 191.A ND1 no hydrogen 1.907 N/A GLN 196.A N ARG 188.A O no hydrogen 3.277 N/A LEU 199.A N GLN 196.A O no hydrogen 2.946 N/A SER 201.A OG ALA 200.A O no hydrogen 3.128 N/A SER 201.A OG LEU 206.A O no hydrogen 2.979 N/A SER 202.A N TYR 208.A O no hydrogen 3.117 N/A SER 202.A OG TYR 208.A O no hydrogen 3.469 N/A MET 204.A N GLY 184.A O no hydrogen 2.939 N/A ILE 207.A N ASP 114.A OD2 no hydrogen 2.780 N/A GLU 212.A N ASN 210.A OD1 no hydrogen 2.884 N/A GLY 216.A N GLY 213.A O no hydrogen 2.542 N/A ILE 217.A N GLY 213.A O no hydrogen 3.287 N/A ILE 217.A N PRO 214.A O no hydrogen 2.545 N/A ASP 219.A N ILE 217.A O no hydrogen 2.657 N/A ALA 222.A N ASP 219.A OD1 no hydrogen 3.170 N/A SER 223.A N ASP 219.A O no hydrogen 2.829 N/A ALA 224.A N PRO 220.A O no hydrogen 2.811 N/A ILE 227.A N SER 223.A O no hydrogen 3.232 N/A ARG 228.A N ALA 224.A O no hydrogen 3.040 N/A ARG 228.A NE ASP 238.A OD1 no hydrogen 2.855 N/A ARG 228.A NE ASP 238.A OD2 no hydrogen 3.024 N/A ARG 228.A NH1 ASP 365.A OD2 no hydrogen 3.494 N/A ARG 228.A NH2 ASP 238.A OD2 no hydrogen 3.329 N/A ARG 228.A NH2 ASP 365.A OD2 no hydrogen 2.801 N/A VAL 229.A N LYS 225.A O no hydrogen 3.314 N/A THR 230.A N ASP 226.A O no hydrogen 3.026 N/A THR 230.A OG1 ASP 226.A O no hydrogen 2.970 N/A THR 230.A OG1 ILE 227.A O no hydrogen 3.481 N/A PHE 231.A N ILE 227.A O no hydrogen 3.120 N/A GLY 232.A N ARG 228.A O no hydrogen 2.963 N/A ARG 233.A N VAL 229.A O no hydrogen 2.793 N/A ARG 233.A NE LEU 199.A O no hydrogen 3.009 N/A MET 234.A N THR 230.A O no hydrogen 3.174 N/A ALA 235.A N GLY 232.A O no hydrogen 3.120 N/A MET 236.A N PHE 231.A O no hydrogen 2.715 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 3.060 N/A GLU 240.A N ASN 237.A OD1 no hydrogen 2.652 N/A THR 241.A N ASN 237.A O no hydrogen 3.002 N/A THR 241.A OG1 ASN 237.A O no hydrogen 2.417 N/A VAL 242.A N ASP 238.A O no hydrogen 2.983 N/A VAL 242.A N GLU 239.A O no hydrogen 3.191 N/A ALA 243.A N GLU 239.A O no hydrogen 3.116 N/A LEU 244.A N GLU 240.A O no hydrogen 3.134 N/A ILE 245.A N THR 241.A O no hydrogen 3.289 N/A ALA 246.A N VAL 242.A O no hydrogen 3.046 N/A GLY 247.A N ALA 243.A O no hydrogen 3.034 N/A GLY 248.A N LEU 244.A O no hydrogen 2.760 N/A HIS 249.A N ILE 245.A O no hydrogen 3.179 N/A SER 250.A OG ALA 246.A O no hydrogen 3.422 N/A PHE 251.A N GLY 248.A O no hydrogen 3.318 N/A GLY 252.A N PRO 304.A O no hydrogen 3.510 N/A THR 254.A N VAL 298.A O no hydrogen 2.840 N/A THR 254.A OG1 LEU 296.A O no hydrogen 2.195 N/A HIS 255.A NE2 ASP 71.A OD2 no hydrogen 2.461 N/A ALA 257.A N THR 291.A O no hydrogen 3.457 N/A HIS 262.A N PRO 259.A O no hydrogen 3.199 N/A HIS 262.A ND1 SER 282.A OG no hydrogen 2.541 N/A VAL 263.A N THR 260.A O no hydrogen 2.415 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.177 N/A GLU 268.A N SER 111.A OG no hydrogen 2.937 N/A ALA 269.A N GLU 266.A O no hydrogen 2.957 N/A HIS 274.A N PRO 271.A O no hydrogen 3.342 N/A GLN 275.A N ILE 272.A O no hydrogen 3.386 N/A GLN 275.A NE2 ILE 272.A O no hydrogen 3.695 N/A LEU 277.A N HIS 274.A O no hydrogen 3.164 N/A GLY 278.A N ASP 119.A OD2 no hydrogen 3.155 N/A TRP 279.A N LYS 265.A O no hydrogen 3.210 N/A SER 282.A N HIS 262.A O no hydrogen 3.000 N/A SER 282.A OG HIS 262.A ND1 no hydrogen 2.541 N/A SER 282.A OG HIS 262.A O no hydrogen 2.898 N/A PHE 283.A N ASN 281.A OD1 no hydrogen 2.560 N/A GLN 285.A N ASP 290.A OD2 no hydrogen 2.721 N/A THR 291.A N GLY 288.A O no hydrogen 2.962 N/A THR 291.A OG1 GLY 288.A O no hydrogen 2.770 N/A THR 293.A N HIS 255.A O no hydrogen 2.330 N/A THR 293.A OG1 SER 117.A OG no hydrogen 3.349 N/A GLU 297.A N GLN 331.A OE1 no hydrogen 3.325 N/A VAL 298.A N THR 254.A OG1 no hydrogen 2.860 N/A TRP 300.A NE1 ASP 359.A OD2 no hydrogen 2.929 N/A THR 301.A OG1 SER 250.A O no hydrogen 3.209 N/A LYS 306.A N THR 303.A O no hydrogen 3.333 N/A TRP 307.A N MET 153.A O no hydrogen 2.763 N/A TYR 311.A OH ASP 359.A OD1 no hydrogen 2.774 N/A GLU 313.A N MET 309.A O no hydrogen 3.330 N/A TYR 314.A N GLY 310.A O no hydrogen 2.986 N/A LEU 315.A N TYR 311.A O no hydrogen 3.250 N/A TYR 316.A N LEU 312.A O no hydrogen 3.141 N/A TYR 316.A OH ASP 369.A OD1 no hydrogen 3.122 N/A TRP 320.A NE1 LEU 315.A O no hydrogen 3.111 N/A GLU 321.A N VAL 333.A O no hydrogen 2.775 N/A THR 323.A N GLN 331.A O no hydrogen 2.762 N/A LYS 324.A NZ ASN 330.A OD1 no hydrogen 2.875 N/A SER 325.A N ALA 329.A O no hydrogen 3.157 N/A SER 325.A OG GLY 295.A O no hydrogen 2.280 N/A ALA 327.A N SER 325.A OG no hydrogen 3.185 N/A GLY 328.A N SER 325.A O no hydrogen 2.916 N/A ALA 329.A N SER 325.A OG no hydrogen 3.003 N/A TRP 332.A N MET 355.A O no hydrogen 3.158 N/A VAL 333.A N GLU 321.A O no hydrogen 2.525 N/A LYS 335.A N ASP 319.A O no hydrogen 3.241 N/A THR 340.A OG1 GLU 338.A O no hydrogen 3.003 N/A ILE 341.A N LYS 351.A O no hydrogen 3.313 N/A ASP 343.A N LYS 349.A O no hydrogen 3.360 N/A TYR 345.A OH ASP 71.A OD1 no hydrogen 2.401 N/A ASP 346.A N ASP 343.A OD2 no hydrogen 3.192 N/A LYS 351.A N ILE 341.A O no hydrogen 2.867 N/A THR 354.A OG1 TRP 332.A O no hydrogen 1.643 N/A MET 355.A N TRP 332.A O no hydrogen 3.022 N/A LEU 356.A N ASP 359.A OD2 no hydrogen 3.250 N/A THR 357.A OG1 PRO 211.A O no hydrogen 3.269 N/A THR 358.A OG1 LEU 356.A O no hydrogen 3.530 N/A ILE 360.A N LEU 356.A O no hydrogen 2.770 N/A ALA 361.A N THR 357.A O no hydrogen 2.601 N/A LEU 362.A N ASP 359.A O no hydrogen 2.892 N/A ARG 363.A N ILE 360.A O no hydrogen 3.135 N/A ARG 363.A NH1 PHE 318.A O no hydrogen 3.543 N/A MET 364.A N ILE 360.A O no hydrogen 3.099 N/A ASP 365.A N ALA 361.A O no hydrogen 2.919 N/A ASP 369.A N ASP 365.A O no hydrogen 2.948 N/A ILE 371.A N ALA 367.A O no hydrogen 3.350 N/A CYS 372.A N TYR 368.A O no hydrogen 2.622 N/A CYS 372.A SG LEU 362.A O no hydrogen 3.512 N/A ARG 373.A N ASP 369.A O no hydrogen 2.971 N/A ARG 373.A N LYS 370.A O no hydrogen 2.491 N/A ARG 373.A NH1 ASP 369.A OD2 no hydrogen 2.820 N/A ARG 373.A NH2 ASP 369.A OD2 no hydrogen 2.997 N/A ASP 374.A N LYS 370.A O no hydrogen 2.911 N/A TYR 375.A N ILE 371.A O no hydrogen 3.253 N/A TYR 375.A OH GLU 239.A O no hydrogen 3.392 N/A ALA 377.A N ARG 373.A O no hydrogen 3.036 N/A ASP 380.A N ASN 378.A O no hydrogen 2.419 N/A ALA 383.A N ASP 380.A O no hydrogen 2.709 N/A ASP 384.A N ASP 380.A O no hydrogen 2.976 N/A ALA 385.A N LYS 381.A O no hydrogen 3.361 N/A ALA 387.A N ALA 383.A O no hydrogen 3.397 N/A ARG 388.A N ASP 384.A O no hydrogen 2.936 N/A ARG 388.A NH2 GLU 412.A OE2 no hydrogen 2.234 N/A ALA 389.A N ALA 385.A O no hydrogen 2.911 N/A TRP 390.A N PHE 386.A O no hydrogen 2.735 N/A TRP 390.A NE1 ASN 147.A OD1 no hydrogen 2.533 N/A PHE 391.A N ALA 387.A O no hydrogen 2.970 N/A LYS 392.A N ARG 388.A O no hydrogen 3.132 N/A LYS 392.A NZ ALA 235.A O no hydrogen 3.474 N/A LEU 393.A N ALA 389.A O no hydrogen 2.779 N/A LEU 394.A N TRP 390.A O no hydrogen 3.208 N/A HIS 395.A N PHE 391.A O no hydrogen 3.109 N/A HIS 395.A N LYS 392.A O no hydrogen 3.176 N/A HIS 395.A ND1 PHE 391.A O no hydrogen 2.826 N/A ARG 396.A NH2 ALA 87.A O no hydrogen 3.177 N/A ARG 396.A NH2 TYR 208.A OH no hydrogen 2.946 N/A ARG 401.A NH1 GLU 412.A O no hydrogen 3.060 N/A ARG 401.A NH1 GLU 417.A OE1 no hydrogen 2.492 N/A ARG 403.A N PRO 400.A O no hydrogen 2.751 N/A ARG 403.A NE MET 398.A O no hydrogen 2.862 N/A TRP 404.A N ARG 401.A O no hydrogen 2.853 N/A ILE 405.A N GLY 162.A O no hydrogen 3.308 N/A VAL 409.A N GLY 406.A O no hydrogen 3.044 N/A LEU 414.A N GLU 417.A OE1 no hydrogen 3.013 N/A ASN 431.A N ASP 429.A OD1 no hydrogen 3.008 N/A ASP 432.A N ASP 429.A OD1 no hydrogen 3.201 N/A ILE 433.A N ASP 429.A O no hydrogen 3.152 N/A ALA 434.A N ASP 430.A O no hydrogen 3.004 N/A ALA 435.A N ASN 431.A O no hydrogen 3.041 N/A LEU 436.A N ASP 432.A O no hydrogen 2.904 N/A LYS 437.A N ILE 433.A O no hydrogen 2.972 N/A LYS 437.A NZ GLU 529.A OE1 no hydrogen 3.251 N/A LYS 437.A NZ GLU 529.A OE2 no hydrogen 2.629 N/A LYS 438.A N ALA 434.A O no hydrogen 3.353 N/A GLU 439.A N ALA 435.A O no hydrogen 3.350 N/A ILE 440.A N LEU 436.A O no hydrogen 2.950 N/A LEU 441.A N LYS 437.A O no hydrogen 2.993 N/A ALA 442.A N LYS 438.A O no hydrogen 2.814 N/A THR 443.A N ILE 440.A O no hydrogen 3.364 N/A THR 443.A OG1 ILE 440.A O no hydrogen 2.498 N/A GLY 444.A N LEU 441.A O no hydrogen 3.267 N/A LYS 449.A N ALA 446.A O no hydrogen 2.894 N/A LYS 449.A NZ GLU 493.A OE1 no hydrogen 3.056 N/A LEU 450.A N ALA 446.A O no hydrogen 3.474 N/A ILE 451.A N PRO 447.A O no hydrogen 2.989 N/A PHE 452.A N LYS 448.A O no hydrogen 2.881 N/A VAL 453.A N LYS 449.A O no hydrogen 2.723 N/A ALA 454.A N LEU 450.A O no hydrogen 2.850 N/A TRP 455.A N ILE 451.A O no hydrogen 3.204 N/A SER 456.A N PHE 452.A O no hydrogen 3.030 N/A SER 456.A OG PHE 452.A O no hydrogen 3.252 N/A SER 457.A N VAL 453.A O no hydrogen 3.435 N/A ALA 458.A N ALA 454.A O no hydrogen 3.102 N/A SER 459.A N TRP 455.A O no hydrogen 2.651 N/A PHE 461.A N ALA 458.A O no hydrogen 3.340 N/A ARG 462.A N ARG 467.A O no hydrogen 3.253 N/A ARG 462.A NE ASP 465.A OD1 no hydrogen 2.719 N/A ARG 462.A NH2 VAL 92.A O no hydrogen 2.781 N/A ARG 462.A NH2 ASP 465.A OD2 no hydrogen 3.147 N/A GLY 463.A N LEU 587.A O no hydrogen 2.486 N/A SER 464.A N ARG 462.A O no hydrogen 3.090 N/A SER 464.A OG GLY 95.A O no hydrogen 3.214 N/A LYS 466.A N ARG 462.A O no hydrogen 3.079 N/A ASN 471.A N ASP 707.A OD2 no hydrogen 2.742 N/A GLY 472.A N ASN 543.A O no hydrogen 2.870 N/A ALA 473.A N ALA 470.A O no hydrogen 3.139 N/A ARG 474.A NE THR 550.A OG1 no hydrogen 3.303 N/A ARG 474.A NH2 TYR 419.A O no hydrogen 3.083 N/A ARG 474.A NH2 HIS 549.A O no hydrogen 3.290 N/A ARG 476.A NE ALA 473.A O no hydrogen 3.218 N/A LEU 477.A N ARG 474.A O no hydrogen 2.762 N/A ALA 478.A N GLN 547.A OE1 no hydrogen 3.275 N/A ASN 481.A N LEU 477.A O no hydrogen 3.066 N/A GLU 482.A N PRO 479.A O no hydrogen 3.181 N/A TRP 483.A N GLN 480.A O no hydrogen 3.463 N/A ASN 486.A N TRP 483.A O no hydrogen 3.093 N/A ASN 486.A ND2 GLN 480.A O no hydrogen 2.671 N/A ASP 487.A N LYS 484.A O no hydrogen 3.242 N/A THR 490.A OG1 ASP 487.A O no hydrogen 3.271 N/A LEU 491.A N ASP 487.A O no hydrogen 2.812 N/A ARG 492.A N PRO 488.A O no hydrogen 2.947 N/A GLU 493.A N SER 489.A O no hydrogen 3.331 N/A GLU 493.A N THR 490.A O no hydrogen 3.211 N/A VAL 494.A N THR 490.A O no hydrogen 3.161 N/A LEU 495.A N LEU 491.A O no hydrogen 3.154 N/A ALA 496.A N ARG 492.A O no hydrogen 2.883 N/A ALA 497.A N GLU 493.A O no hydrogen 3.078 N/A LEU 498.A N VAL 494.A O no hydrogen 3.036 N/A GLU 499.A N LEU 495.A O no hydrogen 2.946 N/A SER 500.A OG ALA 497.A O no hydrogen 2.762 N/A VAL 501.A N ALA 497.A O no hydrogen 3.413 N/A GLN 502.A N LEU 498.A O no hydrogen 3.214 N/A GLN 502.A NE2 VAL 514.A O no hydrogen 2.768 N/A GLN 503.A N GLU 499.A O no hydrogen 3.219 N/A LYS 504.A N SER 500.A O no hydrogen 2.768 N/A PHE 505.A N GLN 502.A O no hydrogen 2.722 N/A ASN 506.A N GLN 502.A O no hydrogen 2.923 N/A ASN 506.A ND2 VAL 514.A O no hydrogen 3.612 N/A ASP 507.A N GLN 503.A O no hydrogen 2.945 N/A SER 509.A N ASP 507.A O no hydrogen 2.068 N/A SER 510.A OG SER 508.A O no hydrogen 3.293 N/A LYS 513.A NZ ASN 506.A O no hydrogen 3.192 N/A VAL 514.A N ASN 506.A OD1 no hydrogen 3.198 N/A SER 515.A OG ARG 542.A O no hydrogen 2.506 N/A LEU 516.A N ASP 544.A OD2 no hydrogen 3.244 N/A ALA 517.A N ASP 544.A OD1 no hydrogen 3.121 N/A ASP 518.A N SER 515.A OG no hydrogen 3.085 N/A LEU 519.A N SER 515.A O no hydrogen 3.291 N/A ILE 520.A N LEU 516.A O no hydrogen 2.880 N/A VAL 521.A N ALA 517.A O no hydrogen 3.401 N/A LEU 522.A N ASP 518.A O no hydrogen 2.808 N/A GLY 523.A N LEU 519.A O no hydrogen 2.787 N/A VAL 525.A N VAL 521.A O no hydrogen 3.173 N/A ALA 526.A N LEU 522.A O no hydrogen 2.704 N/A ALA 527.A N GLY 523.A O no hydrogen 2.969 N/A LEU 528.A N GLY 524.A O no hydrogen 2.925 N/A GLU 529.A N VAL 525.A O no hydrogen 3.111 N/A GLN 530.A N ALA 526.A O no hydrogen 3.445 N/A ALA 531.A N ALA 527.A O no hydrogen 3.207 N/A SER 532.A N LEU 528.A O no hydrogen 2.918 N/A SER 532.A N GLU 529.A O no hydrogen 2.859 N/A SER 532.A OG LEU 528.A O no hydrogen 2.573 N/A SER 532.A OG GLU 529.A O no hydrogen 3.470 N/A GLY 533.A N GLU 529.A O no hydrogen 2.724 N/A LEU 534.A N SER 532.A OG no hydrogen 3.362 N/A GLY 541.A N ASP 518.A OD2 no hydrogen 3.205 N/A ARG 542.A N ASP 518.A OD1 no hydrogen 3.096 N/A ARG 542.A NH1 MET 704.A O no hydrogen 2.607 N/A ARG 542.A NH2 THR 539.A O no hydrogen 3.401 N/A ARG 542.A NH2 MET 704.A O no hydrogen 3.449 N/A ARG 542.A NH2 ASN 705.A OD1 no hydrogen 3.280 N/A ASN 543.A N ASN 471.A OD1 no hydrogen 3.265 N/A ASN 543.A ND2 PRO 421.A O no hydrogen 2.976 N/A ASP 544.A N ASN 543.A OD1 no hydrogen 2.418 N/A ALA 545.A N GLY 472.A O no hydrogen 2.810 N/A GLN 547.A NE2 ALA 478.A O no hydrogen 3.268 N/A GLN 547.A NE2 THR 550.A O no hydrogen 3.476 N/A HIS 549.A N THR 546.A O no hydrogen 3.272 N/A THR 550.A N GLN 547.A O no hydrogen 2.662 N/A THR 550.A OG1 THR 546.A O no hydrogen 2.832 N/A HIS 553.A N ASP 551.A OD1 no hydrogen 3.034 N/A SER 554.A N ASP 551.A O no hydrogen 2.687 N/A SER 554.A OG ASP 551.A OD2 no hydrogen 2.714 N/A PHE 555.A N ASP 551.A O no hydrogen 2.950 N/A THR 556.A OG1 VAL 552.A O no hydrogen 3.207 N/A THR 556.A OG1 HIS 553.A O no hydrogen 2.657 N/A HIS 557.A N SER 554.A O no hydrogen 3.389 N/A LEU 558.A N PHE 555.A O no hydrogen 3.062 N/A ASP 563.A N TYR 568.A O no hydrogen 3.112 N/A ARG 566.A N ASP 563.A OD1 no hydrogen 3.335 N/A ARG 566.A NH1 ASN 486.A OD1 no hydrogen 3.105 N/A SER 567.A N GLY 564.A O no hydrogen 3.166 N/A TYR 568.A N ASP 563.A O no hydrogen 2.804 N/A GLY 571.A N GLU 647.A OE1 no hydrogen 3.266 N/A THR 572.A N VAL 575.A O no hydrogen 2.781 N/A ARG 574.A N THR 572.A OG1 no hydrogen 3.181 N/A ARG 574.A NH1 ASP 187.A OD1 no hydrogen 3.260 N/A ARG 574.A NH2 ASP 187.A OD1 no hydrogen 2.850 N/A ARG 574.A NH2 ASP 187.A OD2 no hydrogen 2.316 N/A VAL 575.A N THR 572.A OG1 no hydrogen 3.230 N/A ARG 576.A NE GLU 578.A OE2 no hydrogen 2.784 N/A ARG 576.A NH1 ALA 18.A O no hydrogen 2.710 N/A ARG 576.A NH2 ALA 18.A O no hydrogen 3.409 N/A THR 577.A OG1 GLU 647.A OE1 no hydrogen 2.420 N/A THR 577.A OG1 GLU 647.A OE2 no hydrogen 2.549 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.885 N/A GLN 579.A N ARG 576.A O no hydrogen 2.910 N/A GLN 579.A NE2 ARG 574.A O no hydrogen 3.672 N/A PHE 580.A N ARG 576.A O no hydrogen 3.454 N/A LEU 581.A N THR 577.A O no hydrogen 3.273 N/A ILE 582.A N GLU 578.A O no hydrogen 3.376 N/A ASP 583.A N GLN 579.A O no hydrogen 3.405 N/A ARG 584.A N PHE 580.A O no hydrogen 2.850 N/A ARG 584.A N LEU 581.A O no hydrogen 3.250 N/A ARG 584.A NH2 SER 459.A O no hydrogen 3.092 N/A ALA 585.A N LEU 581.A O no hydrogen 2.928 N/A SER 586.A N ILE 582.A O no hydrogen 2.718 N/A LEU 587.A N ASP 583.A O no hydrogen 3.357 N/A LEU 588.A N ARG 584.A O no hydrogen 2.919 N/A THR 589.A N SER 586.A O no hydrogen 3.057 N/A THR 589.A OG1 LEU 588.A O no hydrogen 2.586 N/A LEU 590.A N ALA 585.A O no hydrogen 2.737 N/A SER 591.A N GLU 594.A OE2 no hydrogen 2.503 N/A GLU 594.A N SER 591.A OG no hydrogen 3.100 N/A LEU 595.A N SER 591.A O no hydrogen 2.773 N/A THR 596.A N ALA 592.A O no hydrogen 2.988 N/A THR 596.A OG1 ALA 592.A O no hydrogen 2.814 N/A ALA 597.A N PRO 593.A O no hydrogen 2.995 N/A LEU 598.A N GLU 594.A O no hydrogen 3.116 N/A ILE 599.A N LEU 595.A O no hydrogen 3.239 N/A GLY 600.A N THR 596.A O no hydrogen 3.276 N/A GLY 601.A N ALA 597.A O no hydrogen 3.162 N/A LEU 602.A N LEU 598.A O no hydrogen 2.949 N/A ARG 603.A N ILE 599.A O no hydrogen 3.148 N/A ARG 603.A NH1 ASP 667.A OD2 no hydrogen 2.481 N/A VAL 604.A N GLY 600.A O no hydrogen 3.528 N/A LEU 605.A N GLY 601.A O no hydrogen 3.032 N/A GLU 606.A N ARG 603.A O no hydrogen 2.516 N/A ALA 607.A N LEU 602.A O no hydrogen 2.733 N/A ASN 608.A N GLU 606.A O no hydrogen 2.359 N/A ASN 608.A ND2 TYR 614.A O no hydrogen 3.208 N/A TYR 609.A N ARG 566.A O no hydrogen 2.782 N/A GLY 611.A N TYR 609.A O no hydrogen 1.995 N/A GLY 615.A N THR 662.A O no hydrogen 3.206 N/A VAL 616.A N SER 613.A O no hydrogen 3.453 N/A LEU 617.A N GLY 615.A O no hydrogen 2.678 N/A THR 618.A N VAL 616.A O no hydrogen 3.008 N/A THR 618.A OG1 ASP 627.A OD2 no hydrogen 3.531 N/A THR 620.A N THR 618.A OG1 no hydrogen 2.954 N/A THR 620.A OG1 THR 618.A OG1 no hydrogen 3.281 N/A THR 620.A OG1 THR 620.A O no hydrogen 2.363 N/A GLY 622.A N VAL 604.A O no hydrogen 2.875 N/A LEU 624.A N ALA 531.A O no hydrogen 3.256 N/A ASN 626.A ND2 TYR 683.A O no hydrogen 2.990 N/A ASP 627.A N THR 625.A OG1 no hydrogen 3.148 N/A TYR 628.A OH ASP 667.A OD1 no hydrogen 2.397 N/A VAL 630.A N ASN 626.A O no hydrogen 3.295 N/A ASN 631.A N ASP 627.A O no hydrogen 2.949 N/A ASN 631.A ND2 LEU 617.A O no hydrogen 2.832 N/A LEU 632.A N TYR 628.A O no hydrogen 2.975 N/A LEU 633.A N PHE 629.A O no hydrogen 3.027 N/A ASN 636.A N ASP 634.A OD1 no hydrogen 3.135 N/A THR 637.A OG1 ASP 634.A OD2 no hydrogen 3.291 N/A ALA 638.A N TYR 652.A O no hydrogen 2.840 N/A LYS 640.A N ILE 650.A O no hydrogen 3.073 N/A ALA 642.A N VAL 648.A O no hydrogen 2.887 N/A GLU 645.A N GLU 645.A OE1 no hydrogen 3.084 N/A GLY 646.A N ASP 643.A O no hydrogen 3.023 N/A GLY 646.A N ASP 643.A OD1 no hydrogen 2.349 N/A GLU 647.A N ASP 643.A OD1 no hydrogen 3.196 N/A GLU 647.A N ASP 643.A OD2 no hydrogen 3.051 N/A VAL 648.A N ASP 643.A OD2 no hydrogen 2.496 N/A PHE 649.A N ALA 663.A O no hydrogen 2.772 N/A ILE 650.A N LYS 640.A O no hydrogen 2.788 N/A GLY 651.A N TRP 661.A O no hydrogen 2.793 N/A TYR 652.A N ALA 638.A O no hydrogen 2.850 N/A ASP 653.A N ASP 658.A O no hydrogen 2.869 N/A ARG 654.A N ASN 636.A O no hydrogen 3.126 N/A ARG 654.A NE THR 635.A O no hydrogen 2.984 N/A ARG 654.A NE THR 637.A O no hydrogen 3.228 N/A ARG 654.A NH2 THR 637.A O no hydrogen 3.441 N/A LYS 655.A N ASP 653.A OD1 no hydrogen 3.231 N/A THR 656.A OG1 ASP 653.A OD2 no hydrogen 2.558 N/A LYS 660.A N GLY 651.A O no hydrogen 2.801 N/A TRP 661.A N GLY 651.A O no hydrogen 3.029 N/A ALA 663.A N PHE 649.A O no hydrogen 3.085 N/A THR 664.A N ASP 667.A OD2 no hydrogen 3.454 N/A ARG 665.A NE GLU 578.A OE1 no hydrogen 2.795 N/A ARG 665.A NH1 GLY 646.A O no hydrogen 3.147 N/A ARG 665.A NH2 GLU 578.A OE2 no hydrogen 3.320 N/A ASP 667.A N THR 664.A O no hydrogen 2.431 N/A LEU 668.A N THR 664.A O no hydrogen 2.993 N/A ILE 669.A N ARG 665.A O no hydrogen 3.166 N/A GLY 671.A N LEU 668.A O no hydrogen 2.957 N/A ALA 672.A N LEU 668.A O no hydrogen 2.848 N/A HIS 673.A N ILE 669.A O no hydrogen 2.799 N/A HIS 673.A NE2 LEU 20.A O no hydrogen 2.977 N/A ARG 677.A N HIS 673.A O no hydrogen 3.132 N/A ARG 677.A NH1 GLY 671.A O no hydrogen 2.907 N/A ALA 678.A N ALA 674.A O no hydrogen 3.028 N/A LEU 679.A N LEU 676.A O no hydrogen 3.040 N/A ALA 680.A N LEU 676.A O no hydrogen 3.057 N/A GLU 681.A N ARG 677.A O no hydrogen 3.069 N/A TYR 683.A N LEU 679.A O no hydrogen 3.490 N/A TYR 683.A OH ASP 695.A OD2 no hydrogen 3.291 N/A ALA 684.A N ALA 680.A O no hydrogen 2.915 N/A GLY 688.A N ALA 685.A O no hydrogen 3.108 N/A LYS 691.A NZ ASP 695.A OD1 no hydrogen 3.476 N/A LYS 691.A NZ ASP 695.A OD2 no hydrogen 2.656 N/A PHE 692.A N GLY 688.A O no hydrogen 2.965 N/A LYS 693.A N GLU 689.A O no hydrogen 3.279 N/A LYS 693.A NZ SER 532.A O no hydrogen 3.288 N/A LYS 693.A NZ GLU 690.A OE2 no hydrogen 2.602 N/A ARG 694.A N GLU 690.A O no hydrogen 3.350 N/A ASP 695.A N LYS 691.A O no hydrogen 2.944 N/A PHE 696.A N PHE 692.A O no hydrogen 2.688 N/A VAL 697.A N LYS 693.A O no hydrogen 3.137 N/A ALA 698.A N ARG 694.A O no hydrogen 2.815 N/A ALA 699.A N ASP 695.A O no hydrogen 2.887 N/A TRP 700.A N PHE 696.A O no hydrogen 2.602 N/A HIS 701.A N VAL 697.A O no hydrogen 3.035 N/A LYS 702.A N ALA 698.A O no hydrogen 3.000 N/A LYS 702.A NZ THR 589.A OG1 no hydrogen 3.031 N/A LYS 702.A NZ GLU 594.A OE2 no hydrogen 3.350 N/A VAL 703.A N ALA 699.A O no hydrogen 3.327 N/A MET 704.A N TRP 700.A O no hydrogen 3.111 N/A ASN 705.A N LYS 702.A O no hydrogen 3.323 N/A ASN 705.A ND2 THR 539.A OG1 no hydrogen 3.109 N/A LEU 706.A N VAL 703.A O no hydrogen 3.279 N/A ARG 708.A N ASN 705.A O no hydrogen 3.140 N/A ARG 708.A NE ASP 710.A OD1 no hydrogen 2.958 N/A ARG 708.A NH1 THR 539.A O no hydrogen 3.187 N/A ARG 708.A NH2 PRO 540.A O no hydrogen 3.014 N/A ARG 708.A NH2 ASP 710.A OD2 no hydrogen 3.105 N/A LEU 711.A N ARG 708.A O no hydrogen 3.430 N/A