Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5swo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N HIS 5.A NE2 no hydrogen 3.317 N/A THR 15.A OG1 PRO 14.A O no hydrogen 2.360 N/A SER 22.A OG PRO 21.A O no hydrogen 3.011 N/A SER 23.A OG TRP 27.A O no hydrogen 3.448 N/A LEU 26.A N ILE 29.A O no hydrogen 3.289 N/A TRP 27.A N PHE 111.A O no hydrogen 3.117 N/A ILE 29.A N LEU 26.A O no hydrogen 3.146 N/A HIS 30.A NE2 GLN 720.A OE1 no hydrogen 3.007 N/A MET 32.A N GLU 25.A OE2 no hydrogen 2.579 N/A ARG 35.A NH1 GLU 51.A OE1 no hydrogen 2.920 N/A ILE 36.A N CYS 52.A O no hydrogen 2.860 N/A VAL 38.A N LEU 50.A O no hydrogen 2.817 N/A GLU 39.A N PRO 113.A O no hydrogen 3.277 N/A CYS 40.A N VAL 48.A O no hydrogen 3.453 N/A CYS 40.A SG VAL 38.A O no hydrogen 3.607 N/A LEU 41.A N LEU 115.A O no hydrogen 2.746 N/A LEU 42.A N MET 46.A O no hydrogen 3.181 N/A GLY 45.A N LEU 42.A O no hydrogen 3.006 N/A MET 46.A N ASN 44.A OD1 no hydrogen 2.853 N/A VAL 48.A N CYS 40.A O no hydrogen 3.214 N/A LEU 50.A N VAL 38.A O no hydrogen 2.993 N/A CYS 52.A N ILE 36.A O no hydrogen 2.729 N/A CYS 52.A SG LEU 50.A O no hydrogen 3.777 N/A ARG 54.A N PRO 34.A O no hydrogen 2.816 N/A ARG 54.A NH1 GLU 25.A OE1 no hydrogen 2.506 N/A ALA 56.A N LEU 53.A O no hydrogen 3.001 N/A THR 57.A OG1 THR 60.A OG1 no hydrogen 2.502 N/A LEU 58.A N ARG 103.A O no hydrogen 3.027 N/A ILE 59.A N GLU 101.A O no hydrogen 3.102 N/A THR 60.A N THR 57.A OG1 no hydrogen 3.282 N/A THR 60.A OG1 THR 57.A OG1 no hydrogen 2.502 N/A ILE 61.A N THR 57.A O no hydrogen 3.032 N/A LYS 62.A N LEU 58.A O no hydrogen 2.735 N/A LYS 62.A NZ GLU 81.A O no hydrogen 3.539 N/A LYS 62.A NZ GLU 101.A OE1 no hydrogen 3.375 N/A HIS 63.A N ILE 59.A O no hydrogen 2.873 N/A GLU 64.A N THR 60.A O no hydrogen 2.930 N/A LEU 65.A N ILE 61.A O no hydrogen 2.828 N/A PHE 66.A N LYS 62.A O no hydrogen 2.953 N/A LYS 67.A N HIS 63.A O no hydrogen 3.313 N/A GLU 68.A N GLU 64.A O no hydrogen 2.739 N/A ALA 69.A N LEU 65.A O no hydrogen 2.769 N/A LYS 71.A NZ GLU 68.A OE1 no hydrogen 2.715 N/A TYR 72.A N ALA 69.A O no hydrogen 2.718 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 3.247 N/A LEU 77.A N LEU 74.A O no hydrogen 2.895 N/A LEU 78.A N HIS 75.A O no hydrogen 3.248 N/A GLN 79.A N TYR 84.A OH no hydrogen 2.937 N/A SER 82.A N ASP 80.A OD1 no hydrogen 3.416 N/A SER 83.A N ASP 80.A O no hydrogen 3.124 N/A ILE 85.A N ILE 118.A O no hydrogen 2.731 N/A VAL 87.A N LYS 116.A O no hydrogen 2.755 N/A SER 88.A N GLU 96.A O no hydrogen 3.421 N/A SER 88.A OG PHE 114.A O no hydrogen 2.661 N/A THR 90.A N GLU 94.A O no hydrogen 3.187 N/A THR 90.A OG1 GLU 94.A O no hydrogen 3.537 N/A GLN 91.A N ARG 109.A O no hydrogen 2.917 N/A GLN 91.A NE2 GLY 24.A O no hydrogen 2.896 N/A GLN 91.A NE2 LEU 110.A O no hydrogen 3.414 N/A ALA 93.A N THR 90.A O no hydrogen 2.962 N/A GLU 96.A N SER 88.A O no hydrogen 3.065 N/A PHE 98.A N PHE 86.A O no hydrogen 2.663 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.385 N/A ARG 103.A N ASP 100.A O no hydrogen 3.031 N/A ARG 103.A NH1 GLU 96.A OE2 no hydrogen 2.901 N/A ARG 103.A NH2 ASP 107.A O no hydrogen 3.119 N/A ARG 104.A NE ASP 745.A OD2 no hydrogen 3.256 N/A ARG 104.A NH1 GLU 55.A O no hydrogen 2.697 N/A ARG 104.A NH2 ASP 745.A OD2 no hydrogen 3.262 N/A LEU 105.A N ALA 56.A O no hydrogen 2.902 N/A CYS 106.A SG ARG 54.A O no hydrogen 3.729 N/A ASP 107.A N ARG 104.A O no hydrogen 2.735 N/A PHE 111.A N VAL 89.A O no hydrogen 2.957 N/A PHE 114.A N GLN 112.A O no hydrogen 2.849 N/A LEU 115.A N GLU 39.A O no hydrogen 2.822 N/A LYS 116.A N VAL 87.A O no hydrogen 2.722 N/A VAL 117.A N LEU 41.A O no hydrogen 2.757 N/A ILE 118.A N ILE 85.A O no hydrogen 3.298 N/A ASN 123.A ND2 ASN 123.A O no hydrogen 2.830 N/A ILE 128.A N GLU 125.A O no hydrogen 2.943 N/A LEU 129.A N GLU 126.A O no hydrogen 3.092 N/A GLY 134.A N ASN 130.A O no hydrogen 2.832 N/A PHE 135.A N ARG 131.A O no hydrogen 2.857 N/A ALA 136.A N GLU 132.A O no hydrogen 3.124 N/A ILE 137.A N ILE 133.A O no hydrogen 2.917 N/A GLY 138.A N GLY 134.A O no hydrogen 2.711 N/A GLU 143.A N PRO 140.A O no hydrogen 3.135 N/A PHE 144.A N VAL 141.A O no hydrogen 2.819 N/A MET 146.A N CYS 142.A O no hydrogen 3.442 N/A VAL 147.A N PHE 144.A O no hydrogen 2.665 N/A GLU 151.A N ASP 149.A OD1 no hydrogen 2.878 N/A ASP 154.A N PRO 150.A O no hydrogen 2.847 N/A PHE 155.A N GLU 151.A O no hydrogen 2.652 N/A ARG 156.A N VAL 152.A O no hydrogen 3.052 N/A ARG 156.A NH1 ASP 145.A OD1 no hydrogen 3.341 N/A ARG 156.A NH2 ASP 145.A OD1 no hydrogen 3.435 N/A ARG 156.A NH2 GLU 688.A OE2 no hydrogen 3.197 N/A ARG 157.A N GLN 153.A O no hydrogen 3.151 N/A ASN 158.A N ASP 154.A O no hydrogen 2.870 N/A ILE 159.A N PHE 155.A O no hydrogen 2.821 N/A ASN 161.A N ASN 158.A O no hydrogen 3.342 N/A VAL 162.A N ILE 159.A O no hydrogen 2.800 N/A CYS 163.A SG ILE 159.A O no hydrogen 3.802 N/A LYS 164.A N LEU 160.A O no hydrogen 3.064 N/A LYS 164.A NZ ASP 168.A OD1 no hydrogen 3.222 N/A GLU 165.A N ASN 161.A O no hydrogen 3.216 N/A ALA 166.A N VAL 162.A O no hydrogen 3.154 N/A VAL 167.A N CYS 163.A O no hydrogen 2.938 N/A ASP 168.A N LYS 164.A O no hydrogen 3.288 N/A LEU 169.A N GLU 165.A O no hydrogen 3.318 N/A ARG 170.A N ALA 166.A O no hydrogen 3.137 N/A ARG 170.A NE ASP 316.A OD2 no hydrogen 3.502 N/A ARG 170.A NH1 LEU 657.A O no hydrogen 2.726 N/A ARG 170.A NH1 ALA 693.A O no hydrogen 3.200 N/A ARG 170.A NH2 ALA 693.A O no hydrogen 2.658 N/A ASP 171.A N VAL 167.A O no hydrogen 3.251 N/A HIS 176.A N ASN 173.A O no hydrogen 3.218 N/A SER 177.A N ASN 173.A O no hydrogen 3.293 N/A ALA 179.A N PRO 175.A O no hydrogen 3.047 N/A MET 180.A N HIS 176.A O no hydrogen 2.766 N/A TYR 181.A N SER 177.A O no hydrogen 3.151 N/A TYR 181.A N ARG 178.A O no hydrogen 2.852 N/A TYR 181.A OH CYS 694.A O no hydrogen 3.062 N/A VAL 182.A N ARG 178.A O no hydrogen 3.133 N/A TYR 183.A N ALA 179.A O no hydrogen 2.908 N/A GLU 188.A N GLN 285.A O no hydrogen 2.892 N/A SER 189.A OG THR 623.A OG1 no hydrogen 3.414 N/A SER 189.A OG ASP 625.A OD2 no hydrogen 2.627 N/A ILE 197.A N PRO 194.A O no hydrogen 3.080 N/A TYR 198.A N PRO 194.A O no hydrogen 3.101 N/A ASN 199.A N LYS 195.A O no hydrogen 3.148 N/A ASN 199.A ND2 LYS 195.A O no hydrogen 2.661 N/A LYS 200.A N ILE 197.A O no hydrogen 3.190 N/A LEU 201.A N TYR 198.A O no hydrogen 2.691 N/A ILE 206.A N ILE 227.A O no hydrogen 3.112 N/A VAL 208.A N LEU 225.A O no hydrogen 3.155 N/A VAL 209.A N PRO 299.A O no hydrogen 2.970 N/A ILE 210.A N TYR 223.A O no hydrogen 3.338 N/A TRP 211.A N LEU 301.A O no hydrogen 3.133 N/A TRP 211.A NE1 ASN 300.A OD1 no hydrogen 2.925 N/A ASP 219.A N ASN 217.A O no hydrogen 2.619 N/A LYS 220.A NZ ILE 787.A O no hydrogen 2.813 N/A GLN 221.A N VAL 212.A O no hydrogen 3.032 N/A LYS 226.A NZ ASP 202.A OD2 no hydrogen 3.195 N/A HIS 229.A N GLY 204.A O no hydrogen 3.128 N/A HIS 229.A ND1 SER 284.A OG no hydrogen 2.638 N/A CYS 231.A N ASN 228.A O no hydrogen 3.209 N/A CYS 231.A SG ASN 228.A O no hydrogen 3.295 N/A VAL 232.A N GLN 235.A OE1 no hydrogen 3.359 N/A VAL 236.A N VAL 232.A O no hydrogen 3.090 N/A ILE 237.A N PRO 233.A O no hydrogen 2.788 N/A ALA 238.A N GLU 234.A O no hydrogen 3.015 N/A GLU 239.A N GLN 235.A O no hydrogen 3.154 N/A ALA 240.A N VAL 236.A O no hydrogen 3.065 N/A ILE 241.A N ILE 237.A O no hydrogen 3.122 N/A ARG 242.A N ALA 238.A O no hydrogen 2.598 N/A LYS 243.A N GLU 239.A O no hydrogen 3.118 N/A LYS 244.A N ALA 240.A O no hydrogen 3.019 N/A THR 245.A N ILE 241.A O no hydrogen 2.793 N/A THR 245.A OG1 ILE 241.A O no hydrogen 2.731 N/A LEU 249.A N SER 247.A OG no hydrogen 3.179 N/A GLN 254.A N SER 251.A OG no hydrogen 2.967 N/A LEU 255.A N SER 251.A O no hydrogen 3.147 N/A LEU 255.A N SER 252.A O no hydrogen 2.900 N/A LYS 256.A N SER 252.A O no hydrogen 3.281 N/A LEU 257.A N GLU 253.A O no hydrogen 3.372 N/A CYS 258.A N LEU 255.A O no hydrogen 2.809 N/A CYS 258.A SG GLN 254.A O no hydrogen 3.597 N/A VAL 259.A N LEU 255.A O no hydrogen 2.853 N/A LEU 260.A N LYS 256.A O no hydrogen 2.975 N/A TYR 262.A N CYS 258.A O no hydrogen 3.195 N/A GLN 263.A N VAL 259.A O no hydrogen 2.701 N/A LYS 265.A N TYR 262.A O no hydrogen 3.105 N/A ILE 267.A N MET 304.A O no hydrogen 2.671 N/A LYS 269.A N MET 302.A O no hydrogen 2.816 N/A LYS 269.A NZ VAL 270.A O no hydrogen 3.358 N/A LYS 269.A NZ CYS 273.A O no hydrogen 3.545 N/A LYS 269.A NZ ASP 786.A OD1 no hydrogen 3.087 N/A VAL 270.A N GLU 275.A O no hydrogen 3.271 N/A CYS 271.A N ASN 300.A O no hydrogen 2.855 N/A CYS 271.A SG ASN 300.A O no hydrogen 2.988 N/A GLY 272.A N ASP 786.A OD2 no hydrogen 3.181 N/A ASP 274.A N ALA 757.A O no hydrogen 3.148 N/A GLU 275.A N CYS 273.A O no hydrogen 2.821 N/A PHE 277.A N LEU 268.A O no hydrogen 2.791 N/A TYR 281.A OH GLU 279.A OE2 no hydrogen 3.385 N/A LEU 283.A N CYS 231.A O no hydrogen 2.958 N/A SER 284.A OG HIS 229.A ND1 no hydrogen 2.638 N/A GLN 285.A N PRO 282.A O no hydrogen 2.773 N/A TYR 286.A N LEU 283.A O no hydrogen 3.127 N/A TYR 286.A OH GLU 279.A O no hydrogen 2.857 N/A LYS 287.A N ASN 186.A O no hydrogen 2.922 N/A LYS 287.A NZ ASP 625.A OD1 no hydrogen 3.098 N/A ILE 289.A N TYR 286.A O no hydrogen 3.095 N/A ARG 290.A N TYR 286.A O no hydrogen 3.426 N/A ARG 290.A NE SER 284.A O no hydrogen 2.953 N/A ARG 290.A NH2 SER 190.A O no hydrogen 3.313 N/A ARG 290.A NH2 SER 284.A O no hydrogen 3.228 N/A SER 291.A N LYS 287.A O no hydrogen 3.040 N/A SER 291.A OG LYS 287.A O no hydrogen 2.955 N/A CYS 292.A N TYR 288.A O no hydrogen 3.088 N/A CYS 292.A SG TYR 288.A O no hydrogen 3.320 N/A ILE 293.A N ILE 289.A O no hydrogen 2.904 N/A MET 294.A N ARG 290.A O no hydrogen 3.360 N/A LEU 295.A N SER 291.A O no hydrogen 2.763 N/A GLY 296.A N ILE 293.A O no hydrogen 3.421 N/A ARG 297.A N CYS 292.A O no hydrogen 2.604 N/A ASN 300.A N TYR 288.A OH no hydrogen 3.201 N/A ASN 300.A ND2 MET 298.A O no hydrogen 2.528 N/A LEU 301.A N VAL 209.A O no hydrogen 3.173 N/A MET 302.A N LYS 269.A O no hydrogen 3.096 N/A LEU 303.A N TRP 211.A O no hydrogen 2.908 N/A MET 304.A N ILE 267.A O no hydrogen 2.924 N/A LYS 306.A N LYS 265.A O no hydrogen 2.955 N/A LYS 306.A NZ GLY 264.A O no hydrogen 3.261 N/A SER 308.A OG ALA 305.A O no hydrogen 2.851 N/A LEU 309.A N ALA 305.A O no hydrogen 3.104 N/A TYR 310.A N LYS 306.A O no hydrogen 2.778 N/A SER 311.A N GLU 307.A O no hydrogen 2.919 N/A SER 311.A OG SER 308.A O no hydrogen 2.572 N/A GLN 312.A N LEU 309.A O no hydrogen 2.862 N/A CYS 317.A SG MET 315.A O no hydrogen 3.415 N/A TYR 323.A OH GLU 688.A OE2 no hydrogen 3.381 N/A SER 324.A N SER 322.A O no hydrogen 2.787 N/A THR 328.A OG1 GLU 327.A OE1 no hydrogen 2.842 N/A LYS 331.A NZ PHE 479.A O no hydrogen 3.326 N/A TRP 334.A N SER 332.A OG no hydrogen 3.095 N/A VAL 335.A N SER 332.A O no hydrogen 3.407 N/A ILE 336.A N LEU 333.A O no hydrogen 3.135 N/A LEU 340.A N ILE 397.A O no hydrogen 3.372 N/A ARG 341.A NE ASP 477.A OD2 no hydrogen 2.513 N/A ARG 341.A NH2 ASP 477.A OD1 no hydrogen 3.426 N/A ILE 342.A N LEU 393.A O no hydrogen 2.867 N/A LYS 343.A N GLU 475.A O no hydrogen 2.675 N/A LEU 345.A N GLU 473.A O no hydrogen 3.338 N/A THR 348.A N CYS 471.A O no hydrogen 3.231 N/A TYR 349.A OH GLU 468.A OE1 no hydrogen 2.682 N/A ILE 357.A N ASN 353.A O no hydrogen 2.817 N/A ASP 358.A N VAL 415.A O no hydrogen 3.408 N/A LYS 359.A NZ ASP 358.A OD1 no hydrogen 3.372 N/A TYR 361.A N CYS 413.A O no hydrogen 3.207 N/A TYR 361.A OH HIS 418.A ND1 no hydrogen 3.374 N/A VAL 362.A N ASN 378.A OD1 no hydrogen 3.344 N/A ARG 363.A N SER 411.A O no hydrogen 2.781 N/A ARG 363.A NE ASP 375.A OD2 no hydrogen 3.058 N/A ARG 363.A NH2 ASP 375.A OD2 no hydrogen 3.512 N/A THR 364.A N ASN 376.A O no hydrogen 2.859 N/A THR 364.A OG1 ASN 376.A O no hydrogen 2.867 N/A THR 364.A OG1 TYR 395.A OH no hydrogen 2.875 N/A TYR 367.A N ARG 407.A O no hydrogen 2.813 N/A TYR 367.A OH ASP 375.A OD1 no hydrogen 3.345 N/A HIS 368.A N GLY 370.A O no hydrogen 2.888 N/A ASN 376.A N THR 364.A O no hydrogen 3.300 N/A ASN 378.A N VAL 362.A O no hydrogen 3.113 N/A THR 379.A N GLU 391.A OE2 no hydrogen 3.027 N/A THR 379.A OG1 GLU 391.A OE2 no hydrogen 2.714 N/A CYS 384.A SG ILE 357.A O no hydrogen 3.755 N/A CYS 384.A SG ASP 358.A O no hydrogen 3.781 N/A CYS 384.A SG PRO 383.A O no hydrogen 3.037 N/A SER 385.A OG CYS 384.A O no hydrogen 2.720 N/A TRP 389.A N LEU 345.A O no hydrogen 3.176 N/A LEU 393.A N ILE 342.A O no hydrogen 2.809 N/A TYR 395.A N LEU 340.A O no hydrogen 2.752 N/A TYR 395.A OH THR 364.A OG1 no hydrogen 2.875 N/A ILE 397.A N TYR 395.A O no hydrogen 2.718 N/A ILE 399.A N SER 338.A O no hydrogen 2.948 N/A ASP 401.A N TYR 398.A O no hydrogen 2.875 N/A ARG 404.A NE ASP 433.A OD1 no hydrogen 2.916 N/A ARG 404.A NH1 ARG 404.A O no hydrogen 2.631 N/A ARG 404.A NH1 TYR 643.A OH no hydrogen 2.775 N/A ARG 404.A NH2 ASP 433.A OD1 no hydrogen 3.099 N/A ARG 404.A NH2 TYR 643.A OH no hydrogen 3.264 N/A ARG 407.A N TYR 367.A O no hydrogen 3.192 N/A ARG 407.A NH1 PRO 457.A O no hydrogen 3.495 N/A ARG 407.A NH2 PRO 457.A O no hydrogen 2.756 N/A LEU 408.A N ILE 426.A O no hydrogen 2.869 N/A CYS 409.A N GLY 365.A O no hydrogen 2.947 N/A LEU 410.A N GLY 424.A O no hydrogen 3.118 N/A SER 411.A N ARG 363.A O no hydrogen 3.182 N/A SER 411.A OG LEU 454.A O no hydrogen 2.711 N/A CYS 413.A N TYR 361.A O no hydrogen 2.750 N/A CYS 413.A SG SER 411.A O no hydrogen 3.559 N/A CYS 413.A SG SER 411.A OG no hydrogen 3.232 N/A SER 414.A N CYS 419.A O no hydrogen 2.672 N/A VAL 415.A N LYS 359.A O no hydrogen 2.709 N/A LEU 421.A N ILE 412.A O no hydrogen 2.768 N/A TRP 423.A N TRP 445.A O no hydrogen 3.074 N/A TRP 423.A NE1 PRO 446.A O no hydrogen 3.150 N/A GLY 424.A N LEU 410.A O no hydrogen 3.175 N/A ASN 425.A ND2 ASN 456.A O no hydrogen 3.036 N/A ASN 425.A ND2 GLY 459.A O no hydrogen 3.297 N/A ILE 426.A N LEU 408.A O no hydrogen 2.793 N/A ASN 427.A ND2 GLN 642.A O no hydrogen 3.305 N/A LEU 428.A N ALA 406.A O no hydrogen 2.948 N/A ASP 430.A N THR 434.A O no hydrogen 3.142 N/A TYR 431.A OH ASP 154.A OD2 no hydrogen 2.732 N/A THR 432.A OG1 ASP 430.A OD1 no hydrogen 2.673 N/A THR 432.A OG1 ASP 430.A OD2 no hydrogen 3.029 N/A THR 432.A OG1 THR 434.A OG1 no hydrogen 3.049 N/A ASP 433.A N ASP 430.A O no hydrogen 3.089 N/A THR 434.A N ASP 430.A OD1 no hydrogen 2.943 N/A THR 434.A OG1 THR 432.A OG1 no hydrogen 3.049 N/A LEU 435.A N VAL 483.A O no hydrogen 2.791 N/A VAL 436.A N LEU 428.A O no hydrogen 2.822 N/A GLY 438.A N PHE 476.A O no hydrogen 2.931 N/A MET 440.A N LEU 474.A O no hydrogen 2.832 N/A LEU 444.A N PRO 470.A O no hydrogen 2.681 N/A TRP 445.A N TRP 423.A O no hydrogen 2.864 N/A TRP 445.A NE1 GLY 462.A O no hydrogen 3.248 N/A GLY 459.A N ASN 456.A OD1 no hydrogen 3.301 N/A THR 461.A OG1 ASN 427.A OD1 no hydrogen 2.871 N/A GLY 462.A N ASN 425.A O no hydrogen 3.174 N/A SER 463.A OG ASN 464.A O no hydrogen 3.370 N/A ASN 464.A N ASN 443.A O no hydrogen 2.847 N/A ASN 464.A ND2 LEU 444.A O no hydrogen 2.990 N/A ASN 466.A N ASN 464.A OD1 no hydrogen 3.003 N/A LYS 467.A NZ GLU 468.A OE2 no hydrogen 3.175 N/A THR 469.A N LYS 467.A O no hydrogen 2.671 N/A THR 469.A OG1 LEU 444.A O no hydrogen 3.429 N/A THR 469.A OG1 ASN 466.A O no hydrogen 2.651 N/A LEU 472.A N LEU 442.A O no hydrogen 3.100 N/A GLU 473.A N CYS 346.A O no hydrogen 3.221 N/A LEU 474.A N MET 440.A O no hydrogen 2.908 N/A GLU 475.A N LYS 343.A O no hydrogen 2.699 N/A PHE 476.A N GLY 438.A O no hydrogen 2.653 N/A LYS 484.A N LYS 331.A O no hydrogen 2.923 N/A LYS 484.A NZ ASN 325.A OD1 no hydrogen 2.685 N/A PHE 485.A N ASP 433.A O no hydrogen 3.034 N/A ILE 491.A N ASP 487.A O no hydrogen 3.152 N/A GLU 492.A N MET 488.A O no hydrogen 2.758 N/A HIS 494.A N VAL 490.A O no hydrogen 3.214 N/A ALA 495.A N ILE 491.A O no hydrogen 2.895 N/A ASN 496.A N GLU 492.A O no hydrogen 2.959 N/A TRP 497.A N GLU 493.A O no hydrogen 2.803 N/A SER 498.A N HIS 494.A O no hydrogen 3.001 N/A SER 498.A OG HIS 494.A O no hydrogen 3.351 N/A SER 498.A OG ASP 577.A OD2 no hydrogen 2.898 N/A VAL 499.A N ALA 495.A O no hydrogen 2.837 N/A SER 500.A N ASN 496.A O no hydrogen 3.104 N/A ARG 501.A N TRP 497.A O no hydrogen 2.745 N/A ARG 501.A NH1 ASP 577.A OD2 no hydrogen 3.148 N/A GLU 502.A N SER 498.A O no hydrogen 3.062 N/A ALA 503.A N VAL 499.A O no hydrogen 3.269 N/A ALA 503.A N SER 500.A O no hydrogen 3.043 N/A GLY 504.A N ARG 501.A O no hydrogen 3.358 N/A HIS 509.A N SER 506.A OG no hydrogen 2.760 N/A ALA 510.A N SER 506.A O no hydrogen 3.171 N/A GLY 511.A N TYR 507.A O no hydrogen 3.290 N/A ARG 518.A NE ARG 515.A O no hydrogen 3.031 N/A ARG 518.A NH2 SER 552.A O no hydrogen 3.386 N/A GLU 521.A N ARG 518.A O no hydrogen 3.037 N/A LEU 522.A N ARG 518.A O no hydrogen 3.275 N/A LYS 527.A N ARG 523.A O no hydrogen 3.023 N/A GLU 528.A N GLU 524.A O no hydrogen 2.884 N/A GLN 529.A N ASN 525.A O no hydrogen 3.126 N/A LEU 530.A N ASP 526.A O no hydrogen 3.120 N/A ILE 533.A N GLN 529.A O no hydrogen 3.104 N/A SER 534.A N LEU 530.A O no hydrogen 3.080 N/A THR 535.A N LYS 531.A O no hydrogen 3.207 N/A THR 535.A OG1 LYS 531.A O no hydrogen 3.528 N/A THR 535.A OG1 ALA 532.A O no hydrogen 2.632 N/A ARG 536.A N ILE 533.A O no hydrogen 2.667 N/A ARG 536.A NE SER 540.A OG no hydrogen 3.341 N/A ARG 536.A NH1 GLU 546.A OE2 no hydrogen 3.313 N/A ARG 536.A NH2 SER 540.A O no hydrogen 3.082 N/A LEU 539.A N ASP 537.A OD2 no hydrogen 3.186 N/A SER 540.A OG ASP 537.A O no hydrogen 2.954 N/A SER 540.A OG ASP 537.A OD1 no hydrogen 3.087 N/A GLU 541.A N GLU 541.A OE2 no hydrogen 3.142 N/A THR 543.A N GLU 546.A OE2 no hydrogen 3.438 N/A THR 543.A OG1 GLU 546.A OE2 no hydrogen 2.981 N/A GLN 545.A N GLN 545.A OE1 no hydrogen 2.833 N/A GLU 546.A N THR 543.A OG1 no hydrogen 3.099 N/A LYS 547.A N THR 543.A O no hydrogen 2.796 N/A LYS 547.A NZ GLU 544.A OE2 no hydrogen 3.045 N/A ASP 548.A N GLU 544.A O no hydrogen 2.851 N/A PHE 549.A N GLN 545.A O no hydrogen 2.746 N/A LEU 550.A N GLU 546.A O no hydrogen 2.658 N/A TRP 551.A N LYS 547.A O no hydrogen 2.765 N/A SER 552.A N ASP 548.A O no hydrogen 2.970 N/A SER 552.A OG ASP 548.A O no hydrogen 2.733 N/A SER 552.A OG PHE 549.A O no hydrogen 2.587 N/A SER 552.A OG HIS 553.A ND1 no hydrogen 3.161 N/A HIS 553.A N PHE 549.A O no hydrogen 3.263 N/A HIS 553.A ND1 SER 552.A OG no hydrogen 3.161 N/A ARG 554.A N TRP 551.A O no hydrogen 3.242 N/A ARG 554.A NH1 TRP 551.A O no hydrogen 2.607 N/A ARG 554.A NH2 GLU 502.A OE2 no hydrogen 3.164 N/A ARG 554.A NH2 GLN 581.A OE1 no hydrogen 3.229 N/A CYS 557.A N HIS 553.A O no hydrogen 2.982 N/A CYS 557.A SG HIS 553.A O no hydrogen 3.663 N/A VAL 558.A N HIS 555.A O no hydrogen 3.386 N/A THR 559.A N TYR 556.A O no hydrogen 2.715 N/A THR 559.A OG1 TYR 556.A O no hydrogen 2.846 N/A ILE 560.A N CYS 557.A O no hydrogen 3.106 N/A GLU 562.A N GLU 562.A OE1 no hydrogen 3.285 N/A ILE 563.A N ILE 560.A O no hydrogen 2.905 N/A LEU 564.A N PRO 561.A O no hydrogen 2.953 N/A LYS 566.A N ILE 563.A O no hydrogen 2.759 N/A LYS 566.A NZ SER 534.A O no hydrogen 3.555 N/A LYS 566.A NZ ARG 536.A O no hydrogen 2.734 N/A LEU 567.A N ILE 563.A O no hydrogen 3.000 N/A LEU 568.A N LEU 564.A O no hydrogen 2.763 N/A SER 570.A N LEU 567.A O no hydrogen 2.619 N/A SER 570.A OG LYS 566.A O no hydrogen 2.749 N/A SER 570.A OG LEU 567.A O no hydrogen 3.103 N/A VAL 571.A N LEU 567.A O no hydrogen 3.233 N/A LYS 572.A N GLU 578.A OE1 no hydrogen 3.396 N/A TRP 573.A NE1 LEU 568.A O no hydrogen 3.046 N/A VAL 579.A N SER 575.A O no hydrogen 3.070 N/A ALA 580.A N ARG 576.A O no hydrogen 2.853 N/A GLN 581.A NE2 GLU 502.A OE1 no hydrogen 3.443 N/A GLN 581.A NE2 ASP 577.A O no hydrogen 3.629 N/A MET 582.A N GLU 578.A O no hydrogen 2.971 N/A TYR 583.A N VAL 579.A O no hydrogen 2.848 N/A TYR 583.A OH ASP 607.A OD1 no hydrogen 2.851 N/A CYS 584.A N GLN 581.A O no hydrogen 2.808 N/A CYS 584.A SG ALA 580.A O no hydrogen 3.268 N/A LEU 585.A N GLN 581.A O no hydrogen 3.087 N/A VAL 586.A N MET 582.A O no hydrogen 2.935 N/A LYS 587.A N TYR 583.A O no hydrogen 3.075 N/A ASP 588.A N LEU 585.A O no hydrogen 3.217 N/A TRP 589.A N VAL 586.A O no hydrogen 3.454 N/A TRP 589.A NE1 PRO 561.A O no hydrogen 3.005 N/A GLN 596.A N LYS 593.A O no hydrogen 2.864 N/A ALA 597.A N LYS 593.A O no hydrogen 2.883 N/A MET 598.A N PRO 594.A O no hydrogen 2.941 N/A GLU 599.A N GLN 596.A O no hydrogen 3.373 N/A LEU 600.A N ALA 597.A O no hydrogen 3.270 N/A LEU 601.A N MET 598.A O no hydrogen 3.043 N/A ASP 602.A N GLU 599.A O no hydrogen 3.010 N/A ASN 604.A N ASP 602.A OD1 no hydrogen 2.537 N/A TYR 605.A N ASP 602.A O no hydrogen 3.459 N/A TYR 605.A OH PRO 565.A O no hydrogen 2.804 N/A TYR 605.A OH GLU 599.A OE1 no hydrogen 3.345 N/A MET 609.A N ASP 607.A OD2 no hydrogen 2.780 N/A VAL 610.A N ASP 607.A OD2 no hydrogen 3.458 N/A ARG 611.A N ASP 607.A O no hydrogen 3.116 N/A ARG 611.A NE TYR 605.A O no hydrogen 3.049 N/A GLY 612.A N PRO 608.A O no hydrogen 2.827 N/A PHE 613.A N MET 609.A O no hydrogen 3.098 N/A ALA 614.A N VAL 610.A O no hydrogen 2.962 N/A VAL 615.A N ARG 611.A O no hydrogen 3.053 N/A ARG 616.A N GLY 612.A O no hydrogen 2.788 N/A ARG 616.A NH1 VAL 586.A O no hydrogen 3.410 N/A CYS 617.A N PHE 613.A O no hydrogen 2.767 N/A CYS 617.A SG PHE 613.A O no hydrogen 3.466 N/A LEU 618.A N ALA 614.A O no hydrogen 3.125 N/A GLU 619.A N VAL 615.A O no hydrogen 2.741 N/A LYS 620.A N ARG 616.A O no hydrogen 3.176 N/A TYR 621.A N CYS 617.A O no hydrogen 2.953 N/A THR 623.A OG1 SER 189.A OG no hydrogen 3.414 N/A LYS 626.A N THR 623.A OG1 no hydrogen 3.139 N/A LEU 627.A N THR 623.A O no hydrogen 2.785 N/A SER 628.A N ASP 624.A O no hydrogen 3.406 N/A GLN 629.A N ASP 625.A O no hydrogen 3.143 N/A TYR 630.A N LYS 626.A O no hydrogen 3.146 N/A TYR 630.A OH GLU 595.A OE2 no hydrogen 3.116 N/A GLN 633.A N GLN 633.A OE1 no hydrogen 2.798 N/A GLN 633.A NE2 GLN 813.A OE1 no hydrogen 2.705 N/A LEU 634.A N TYR 630.A O no hydrogen 3.214 N/A VAL 635.A N LEU 631.A O no hydrogen 2.907 N/A GLN 636.A N ILE 632.A O no hydrogen 2.935 N/A GLN 636.A NE2 GLU 673.A OE2 no hydrogen 3.030 N/A VAL 637.A N GLN 633.A O no hydrogen 3.025 N/A LEU 638.A N VAL 635.A O no hydrogen 3.278 N/A LYS 639.A N GLN 636.A O no hydrogen 3.037 N/A LYS 639.A NZ GLU 673.A OE2 no hydrogen 3.315 N/A TYR 640.A N VAL 637.A O no hydrogen 3.379 N/A GLU 641.A N LEU 638.A O no hydrogen 2.922 N/A GLN 642.A NE2 ASN 427.A OD1 no hydrogen 3.517 N/A TYR 643.A OH PHE 429.A O no hydrogen 2.829 N/A TYR 643.A OH GLN 642.A OE1 no hydrogen 3.399 N/A LEU 644.A N GLU 151.A OE2 no hydrogen 3.051 N/A ARG 650.A N ASN 646.A O no hydrogen 3.222 N/A ARG 650.A NE ASP 645.A OD1 no hydrogen 2.770 N/A ARG 650.A NH2 ASN 158.A O no hydrogen 3.049 N/A ARG 650.A NH2 ASP 645.A OD1 no hydrogen 3.352 N/A ARG 650.A NH2 ASP 645.A OD2 no hydrogen 3.061 N/A PHE 651.A N LEU 647.A O no hydrogen 2.879 N/A LEU 652.A N LEU 648.A O no hydrogen 3.122 N/A LEU 653.A N VAL 649.A O no hydrogen 3.032 N/A LYS 654.A N ARG 650.A O no hydrogen 3.363 N/A LYS 654.A NZ GLU 165.A OE1 no hydrogen 3.185 N/A LYS 655.A N PHE 651.A O no hydrogen 3.003 N/A ALA 656.A N LEU 652.A O no hydrogen 2.812 N/A LEU 657.A N LEU 653.A O no hydrogen 3.059 N/A THR 658.A N LYS 654.A O no hydrogen 2.911 N/A THR 658.A N LYS 655.A O no hydrogen 3.017 N/A THR 658.A OG1 LYS 654.A O no hydrogen 2.943 N/A ASN 659.A N LYS 655.A O no hydrogen 2.845 N/A ASN 659.A ND2 ASP 624.A OD2 no hydrogen 3.051 N/A GLN 660.A N TYR 181.A O no hydrogen 3.184 N/A ARG 661.A N ASN 659.A OD1 no hydrogen 2.825 N/A ARG 661.A NH2 PRO 184.A O no hydrogen 2.902 N/A ILE 662.A N ASN 659.A OD1 no hydrogen 3.275 N/A GLY 663.A N ASN 659.A O no hydrogen 2.999 N/A HIS 664.A N GLN 660.A O no hydrogen 3.010 N/A HIS 664.A NE2 PRO 753.A O no hydrogen 2.821 N/A PHE 666.A N ILE 662.A O no hydrogen 2.685 N/A PHE 667.A N GLY 663.A O no hydrogen 2.924 N/A TRP 668.A N HIS 664.A O no hydrogen 3.360 N/A TRP 668.A NE1 GLN 704.A OE1 no hydrogen 2.932 N/A HIS 669.A N PHE 665.A O no hydrogen 2.960 N/A LYS 671.A N PHE 667.A O no hydrogen 2.774 N/A LYS 671.A NZ ALA 136.A O no hydrogen 2.912 N/A SER 672.A N TRP 668.A O no hydrogen 2.724 N/A GLU 673.A N LEU 670.A O no hydrogen 3.142 N/A MET 674.A N LYS 671.A O no hydrogen 3.148 N/A ASN 676.A N GLU 673.A O no hydrogen 3.158 N/A THR 678.A N ASN 676.A OD1 no hydrogen 3.486 N/A VAL 679.A N ASN 676.A O no hydrogen 2.917 N/A SER 680.A N ASN 676.A O no hydrogen 2.980 N/A SER 680.A OG MET 674.A O no hydrogen 3.108 N/A ARG 682.A NH2 GLU 641.A O no hydrogen 3.357 N/A PHE 683.A N VAL 679.A O no hydrogen 3.002 N/A GLY 684.A N SER 680.A O no hydrogen 3.232 N/A LEU 685.A N GLN 681.A O no hydrogen 2.919 N/A LEU 686.A N ARG 682.A O no hydrogen 3.136 N/A LEU 687.A N PHE 683.A O no hydrogen 2.847 N/A GLU 688.A N GLY 684.A O no hydrogen 2.709 N/A SER 689.A N LEU 685.A O no hydrogen 3.190 N/A SER 689.A OG LEU 685.A O no hydrogen 3.069 N/A SER 689.A OG LEU 686.A O no hydrogen 3.051 N/A TYR 690.A N LEU 686.A O no hydrogen 3.022 N/A CYS 691.A N LEU 687.A O no hydrogen 2.840 N/A ARG 692.A N GLU 688.A O no hydrogen 2.945 N/A ARG 692.A NH1 ASN 130.A OD1 no hydrogen 3.375 N/A ARG 692.A NH2 ASN 130.A OD1 no hydrogen 3.339 N/A ARG 692.A NH2 GLU 688.A OE2 no hydrogen 2.727 N/A ALA 693.A N SER 689.A O no hydrogen 3.192 N/A ALA 693.A N TYR 690.A O no hydrogen 2.979 N/A CYS 694.A N TYR 690.A O no hydrogen 2.810 N/A CYS 694.A SG CYS 691.A O no hydrogen 3.728 N/A CYS 694.A SG GLY 695.A O no hydrogen 3.931 N/A TYR 697.A OH HIS 664.A ND1 no hydrogen 2.538 N/A LEU 698.A N GLY 695.A O no hydrogen 3.467 N/A LYS 699.A N MET 696.A O no hydrogen 2.635 N/A LEU 701.A N TYR 697.A O no hydrogen 2.714 N/A ASN 702.A N LEU 698.A O no hydrogen 2.682 N/A ASN 702.A ND2 GLU 132.A O no hydrogen 3.293 N/A ARG 703.A N LYS 699.A O no hydrogen 3.208 N/A ARG 703.A N HIS 700.A O no hydrogen 3.182 N/A GLN 704.A N HIS 700.A O no hydrogen 3.211 N/A GLN 704.A NE2 TYR 697.A OH no hydrogen 3.276 N/A GLN 704.A NE2 HIS 700.A O no hydrogen 3.498 N/A VAL 705.A N LEU 701.A O no hydrogen 2.803 N/A GLU 706.A N ASN 702.A O no hydrogen 3.087 N/A ALA 707.A N ARG 703.A O no hydrogen 2.862 N/A MET 708.A N GLN 704.A O no hydrogen 3.019 N/A GLU 709.A N VAL 705.A O no hydrogen 3.015 N/A LYS 710.A N GLU 706.A O no hydrogen 3.216 N/A LYS 710.A NZ ASP 107.A OD1 no hydrogen 2.766 N/A LYS 710.A NZ ASP 742.A OD2 no hydrogen 2.898 N/A LEU 711.A N ALA 707.A O no hydrogen 3.139 N/A ILE 712.A N MET 708.A O no hydrogen 2.775 N/A ASN 713.A N GLU 709.A O no hydrogen 3.022 N/A LEU 714.A N LYS 710.A O no hydrogen 2.949 N/A THR 715.A N LEU 711.A O no hydrogen 3.214 N/A THR 715.A OG1 LEU 711.A O no hydrogen 2.580 N/A THR 715.A OG1 ILE 712.A O no hydrogen 3.065 N/A ASP 716.A N ILE 712.A O no hydrogen 2.965 N/A ILE 717.A N ASN 713.A O no hydrogen 2.976 N/A ILE 717.A N LEU 714.A O no hydrogen 3.003 N/A LEU 718.A N LEU 714.A O no hydrogen 3.074 N/A LYS 719.A NZ MET 17.A O no hydrogen 3.413 N/A LYS 719.A NZ ASN 801.A OD1 no hydrogen 3.487 N/A GLN 720.A N ILE 717.A O no hydrogen 3.140 N/A GLU 721.A N ILE 717.A O no hydrogen 2.993 N/A LYS 722.A N ILE 717.A O no hydrogen 3.304 N/A GLN 727.A NE2 ILE 770.A O no hydrogen 2.696 N/A GLN 730.A N THR 726.A O no hydrogen 2.715 N/A MET 731.A N GLN 727.A O no hydrogen 2.838 N/A LYS 732.A N LYS 728.A O no hydrogen 3.148 N/A PHE 733.A N VAL 729.A O no hydrogen 3.038 N/A LEU 734.A N GLN 730.A O no hydrogen 2.863 N/A VAL 735.A N MET 731.A O no hydrogen 2.981 N/A GLU 736.A N LYS 732.A O no hydrogen 3.158 N/A GLN 737.A N PHE 733.A O no hydrogen 3.058 N/A GLN 737.A NE2 GLU 736.A OE1 no hydrogen 3.206 N/A MET 738.A N LEU 734.A O no hydrogen 2.898 N/A ARG 739.A N VAL 735.A O no hydrogen 3.078 N/A ARG 740.A N GLN 737.A O no hydrogen 3.255 N/A ARG 740.A NH1 GLU 55.A OE1 no hydrogen 3.419 N/A ARG 740.A NH1 GLU 55.A OE2 no hydrogen 3.520 N/A PHE 743.A N ARG 740.A O no hydrogen 3.158 N/A MET 744.A N ARG 740.A O no hydrogen 3.008 N/A ASP 745.A N PRO 741.A O no hydrogen 2.864 N/A ALA 746.A N ASP 742.A O no hydrogen 3.206 N/A LEU 747.A N PHE 743.A O no hydrogen 2.730 N/A PHE 750.A N LEU 760.A O no hydrogen 3.065 N/A SER 752.A N HIS 758.A O no hydrogen 3.361 N/A ALA 757.A N ASN 755.A OD1 no hydrogen 2.990 N/A HIS 758.A N ASN 755.A O no hydrogen 3.101 N/A LEU 760.A N PHE 750.A O no hydrogen 2.685 N/A GLY 761.A N GLU 783.A O no hydrogen 3.076 N/A CYS 768.A N LEU 765.A O no hydrogen 3.059 N/A CYS 768.A SG ARG 764.A O no hydrogen 3.350 N/A CYS 768.A SG ASN 781.A O no hydrogen 3.930 N/A ARG 769.A N TRP 779.A O no hydrogen 2.986 N/A MET 771.A N PRO 777.A O no hydrogen 2.976 N/A LYS 775.A N SER 773.A OG no hydrogen 3.285 N/A LYS 775.A NZ ASP 803.A OD1 no hydrogen 3.162 N/A ARG 776.A N SER 773.A O no hydrogen 3.127 N/A ARG 776.A NE GLN 730.A OE1 no hydrogen 2.927 N/A ARG 776.A NH1 SER 773.A O no hydrogen 2.562 N/A ARG 776.A NH2 GLN 727.A OE1 no hydrogen 2.601 N/A ARG 776.A NH2 GLN 730.A OE1 no hydrogen 2.577 N/A LEU 778.A N PHE 799.A O no hydrogen 2.893 N/A TRP 779.A N ARG 769.A O no hydrogen 2.753 N/A TRP 779.A NE1 GLU 796.A OE2 no hydrogen 3.066 N/A LEU 780.A N ILE 797.A O no hydrogen 3.235 N/A ASN 781.A ND2 GLU 796.A OE2 no hydrogen 2.828 N/A TRP 782.A N ASN 795.A O no hydrogen 2.740 N/A TRP 782.A NE1 LEU 747.A O no hydrogen 2.725 N/A GLU 783.A N ASN 762.A O no hydrogen 2.598 N/A ASN 784.A N GLN 793.A O no hydrogen 3.131 N/A ASN 784.A ND2 GLY 272.A O no hydrogen 3.591 N/A MET 788.A N ASP 786.A OD2 no hydrogen 3.024 N/A ASN 794.A ND2 ASN 781.A OD1 no hydrogen 2.669 N/A ASN 795.A N TRP 782.A O no hydrogen 2.806 N/A ILE 797.A N LEU 780.A O no hydrogen 3.147 N/A ILE 798.A N ILE 846.A O no hydrogen 2.968 N/A PHE 799.A N LEU 778.A O no hydrogen 2.885 N/A LYS 800.A N GLY 844.A O no hydrogen 3.230 N/A LYS 800.A NZ ASP 803.A OD2 no hydrogen 2.838 N/A ASN 801.A ND2 THR 715.A OG1 no hydrogen 2.857 N/A ASP 804.A N GLY 802.A O no hydrogen 3.170 N/A ARG 806.A NH1 ASP 804.A OD1 no hydrogen 2.956 N/A GLN 807.A NE2 ASP 804.A OD2 no hydrogen 2.711 N/A MET 809.A N LEU 805.A O no hydrogen 2.862 N/A LEU 810.A N GLN 807.A O no hydrogen 3.101 N/A THR 811.A N GLN 807.A O no hydrogen 3.080 N/A LEU 812.A N ASP 808.A O no hydrogen 2.932 N/A GLN 813.A N MET 809.A O no hydrogen 3.103 N/A GLN 813.A NE2 GLN 633.A OE1 no hydrogen 3.069 N/A ILE 814.A N LEU 810.A O no hydrogen 2.632 N/A ILE 815.A N THR 811.A O no hydrogen 2.709 N/A ARG 816.A N LEU 812.A O no hydrogen 2.954 N/A ARG 816.A NH2 PRO 833.A O no hydrogen 3.373 N/A ILE 817.A N GLN 813.A O no hydrogen 3.223 N/A MET 818.A N ILE 814.A O no hydrogen 2.946 N/A GLU 819.A N ILE 815.A O no hydrogen 2.842 N/A ASN 820.A N ARG 816.A O no hydrogen 3.205 N/A ILE 821.A N ILE 817.A O no hydrogen 2.796 N/A TRP 822.A N MET 818.A O no hydrogen 2.874 N/A TRP 822.A NE1 ALA 985.A O no hydrogen 3.207 N/A GLN 823.A N GLU 819.A O no hydrogen 2.771 N/A ASN 824.A N ASN 820.A O no hydrogen 2.976 N/A ASN 824.A ND2 ASN 820.A O no hydrogen 3.295 N/A GLN 825.A N TRP 822.A O no hydrogen 2.992 N/A LEU 827.A N TRP 822.A O no hydrogen 3.308 N/A ARG 830.A NE ASP 828.A OD1 no hydrogen 2.818 N/A ARG 830.A NE ASP 828.A OD2 no hydrogen 3.216 N/A ARG 830.A NH2 ASP 828.A OD1 no hydrogen 2.779 N/A ARG 830.A NH2 ASP 828.A OD2 no hydrogen 3.246 N/A LEU 832.A N TYR 902.A OH no hydrogen 3.386 N/A TYR 834.A N LEU 832.A O no hydrogen 2.649 N/A GLY 835.A N GLU 847.A OE2 no hydrogen 2.596 N/A CYS 836.A SG LEU 845.A O no hydrogen 3.940 N/A LEU 837.A N LEU 845.A O no hydrogen 2.876 N/A SER 838.A OG GLY 840.A O no hydrogen 3.250 N/A SER 838.A OG VAL 843.A O no hydrogen 3.083 N/A ILE 839.A N VAL 843.A O no hydrogen 2.981 N/A CYS 842.A SG ASP 841.A OD1 no hydrogen 3.693 N/A LEU 845.A N LEU 837.A O no hydrogen 2.781 N/A ILE 846.A N ILE 798.A O no hydrogen 2.958 N/A GLU 847.A N GLY 835.A O no hydrogen 2.910 N/A SER 852.A OG VAL 849.A O no hydrogen 3.023 N/A HIS 853.A N VAL 921.A O no hydrogen 2.959 N/A THR 854.A N GLN 857.A OE1 no hydrogen 3.243 N/A THR 854.A OG1 GLN 857.A OE1 no hydrogen 2.996 N/A ILE 855.A N ILE 919.A O no hydrogen 3.046 N/A MET 856.A N ASN 916.A O no hydrogen 3.254 N/A ILE 858.A N THR 854.A O no hydrogen 3.175 N/A GLN 859.A N ILE 855.A O no hydrogen 2.986 N/A CYS 860.A N MET 856.A O no hydrogen 2.825 N/A CYS 860.A SG MET 856.A O no hydrogen 3.376 N/A LYS 861.A N GLN 857.A O no hydrogen 3.018 N/A GLY 863.A N CYS 860.A O no hydrogen 3.442 N/A THR 874.A N ASN 871.A O no hydrogen 3.198 N/A THR 874.A OG1 ASN 871.A O no hydrogen 2.898 N/A GLN 877.A N HIS 873.A O no hydrogen 2.703 N/A TRP 878.A N THR 874.A O no hydrogen 2.559 N/A LEU 879.A N LEU 875.A O no hydrogen 2.847 N/A LYS 880.A N HIS 876.A O no hydrogen 2.790 N/A ASP 881.A N GLN 877.A O no hydrogen 3.170 N/A LYS 882.A N LEU 879.A O no hydrogen 3.137 N/A ASN 883.A N LEU 879.A O no hydrogen 3.070 N/A ALA 891.A N ILE 887.A O no hydrogen 3.112 N/A ILE 892.A N TYR 888.A O no hydrogen 3.196 N/A ASP 893.A N ASP 889.A O no hydrogen 3.255 N/A LEU 894.A N ALA 890.A O no hydrogen 2.936 N/A PHE 895.A N ALA 891.A O no hydrogen 3.198 N/A THR 896.A N ILE 892.A O no hydrogen 2.621 N/A THR 896.A OG1 ILE 892.A O no hydrogen 2.600 N/A ARG 897.A N ASP 893.A O no hydrogen 2.685 N/A ARG 897.A NE ASP 893.A OD1 no hydrogen 2.741 N/A ARG 897.A NH1 ASP 828.A O no hydrogen 2.954 N/A SER 898.A N LEU 894.A O no hydrogen 2.691 N/A SER 898.A OG LEU 894.A O no hydrogen 3.048 N/A SER 898.A OG PHE 895.A O no hydrogen 3.173 N/A SER 898.A OG LEU 927.A O no hydrogen 3.481 N/A CYS 899.A N PHE 895.A O no hydrogen 2.715 N/A ALA 900.A N THR 896.A O no hydrogen 3.174 N/A GLY 901.A N ARG 897.A O no hydrogen 3.184 N/A TYR 902.A N SER 898.A O no hydrogen 3.058 N/A CYS 903.A N CYS 899.A O no hydrogen 2.883 N/A CYS 903.A SG PHE 952.A O no hydrogen 3.769 N/A VAL 904.A N ALA 900.A O no hydrogen 3.210 N/A ALA 905.A N GLY 901.A O no hydrogen 2.948 N/A THR 906.A N TYR 902.A O no hydrogen 3.310 N/A THR 906.A OG1 TYR 902.A O no hydrogen 2.837 N/A PHE 907.A N CYS 903.A O no hydrogen 3.021 N/A ILE 908.A N VAL 904.A O no hydrogen 3.032 N/A LEU 909.A N ALA 905.A O no hydrogen 2.811 N/A GLY 910.A N THR 906.A O no hydrogen 2.818 N/A GLY 912.A N PHE 932.A O no hydrogen 2.949 N/A ARG 914.A N PRO 951.A O no hydrogen 3.053 N/A ARG 914.A NE GLY 912.A O no hydrogen 2.969 N/A ARG 914.A NH1 ILE 930.A O no hydrogen 2.712 N/A ARG 914.A NH2 GLY 912.A O no hydrogen 2.884 N/A ARG 914.A NH2 ASP 931.A O no hydrogen 3.006 N/A HIS 915.A N ASN 918.A OD1 no hydrogen 3.457 N/A SER 917.A OG HIS 915.A NE2 no hydrogen 3.136 N/A ASN 918.A N HIS 915.A O no hydrogen 2.765 N/A ASN 918.A ND2 ASP 913.A O no hydrogen 3.199 N/A MET 920.A N PHE 928.A O no hydrogen 2.731 N/A VAL 921.A N HIS 853.A O no hydrogen 2.955 N/A LYS 922.A N GLN 926.A O no hydrogen 2.936 N/A LYS 922.A NZ GLN 926.A OE1 no hydrogen 2.634 N/A ASP 923.A N ASN 851.A O no hydrogen 3.374 N/A GLY 925.A N LYS 922.A O no hydrogen 2.999 N/A GLN 926.A NE2 ARG 830.A O no hydrogen 3.080 N/A LEU 927.A N SER 898.A OG no hydrogen 2.763 N/A PHE 928.A N MET 920.A O no hydrogen 2.753 N/A ILE 930.A N ASN 918.A O no hydrogen 3.048 N/A ASP 937.A N PHE 935.A O no hydrogen 2.642 N/A LYS 940.A N ASP 937.A O no hydrogen 3.104 N/A LYS 942.A NZ LYS 939.A O no hydrogen 3.301 N/A ARG 947.A NH2 ASP 937.A OD1 no hydrogen 2.678 N/A ARG 949.A NE ASP 937.A OD1 no hydrogen 3.340 N/A ARG 949.A NH1 ILE 911.A O no hydrogen 3.433 N/A ARG 949.A NH1 ASP 913.A OD1 no hydrogen 2.633 N/A ARG 949.A NH2 GLY 910.A O no hydrogen 3.015 N/A ARG 949.A NH2 ASP 937.A OD1 no hydrogen 2.678 N/A LEU 954.A N HIS 1045.A NE2 no hydrogen 3.427 N/A THR 955.A OG1 ASP 957.A OD1 no hydrogen 3.307 N/A LEU 959.A N THR 955.A O no hydrogen 3.302 N/A ILE 960.A N GLN 956.A O no hydrogen 2.833 N/A ILE 962.A N PHE 958.A O no hydrogen 3.023 N/A SER 963.A N LEU 959.A O no hydrogen 3.166 N/A SER 963.A N ILE 960.A O no hydrogen 3.161 N/A SER 963.A OG LEU 959.A O no hydrogen 2.973 N/A SER 963.A OG ILE 960.A O no hydrogen 3.397 N/A LYS 964.A NZ ASP 889.A OD2 no hydrogen 3.210 N/A ALA 966.A N SER 963.A O no hydrogen 3.066 N/A CYS 969.A SG ALA 966.A O no hydrogen 3.627 N/A LYS 971.A NZ GLU 968.A OE1 no hydrogen 3.061 N/A THR 972.A N CYS 969.A O no hydrogen 3.199 N/A THR 972.A OG1 CYS 969.A O no hydrogen 3.481 N/A PHE 975.A N THR 972.A OG1 no hydrogen 3.023 N/A GLU 976.A N THR 972.A O no hydrogen 3.268 N/A ARG 977.A N ARG 973.A O no hydrogen 2.991 N/A PHE 978.A N GLU 974.A O no hydrogen 3.448 N/A GLN 979.A N PHE 975.A O no hydrogen 3.090 N/A GLN 979.A NE2 GLY 1048.A O no hydrogen 2.693 N/A GLU 980.A N GLU 976.A O no hydrogen 2.997 N/A MET 981.A N ARG 977.A O no hydrogen 2.765 N/A CYS 982.A N PHE 978.A O no hydrogen 2.983 N/A CYS 982.A SG ALA 900.A O no hydrogen 3.957 N/A CYS 982.A SG PHE 978.A O no hydrogen 3.514 N/A TYR 983.A N GLN 979.A O no hydrogen 2.875 N/A LYS 984.A N GLU 980.A O no hydrogen 3.265 N/A ALA 985.A N MET 981.A O no hydrogen 2.868 N/A TYR 986.A N CYS 982.A O no hydrogen 2.821 N/A TYR 986.A OH THR 1023.A O no hydrogen 2.701 N/A LEU 987.A N TYR 983.A O no hydrogen 3.029 N/A ALA 988.A N LYS 984.A O no hydrogen 3.044 N/A ILE 989.A N ALA 985.A O no hydrogen 3.096 N/A ARG 990.A N TYR 986.A O no hydrogen 3.285 N/A ARG 990.A NE LEU 1024.A O no hydrogen 3.031 N/A ARG 990.A NE ALA 1025.A O no hydrogen 3.046 N/A ARG 990.A NH2 ALA 1025.A O no hydrogen 2.635 N/A ARG 990.A NH2 LYS 1028.A O no hydrogen 2.885 N/A GLN 991.A N LEU 987.A O no hydrogen 3.195 N/A HIS 992.A N ILE 989.A O no hydrogen 2.941 N/A LEU 995.A N HIS 992.A O no hydrogen 2.879 N/A ILE 997.A N ALA 993.A O no hydrogen 3.155 N/A ASN 998.A N ASN 994.A O no hydrogen 3.066 N/A ASN 998.A ND2 GLU 595.A O no hydrogen 3.519 N/A LEU 999.A N LEU 995.A O no hydrogen 2.740 N/A PHE 1000.A N PHE 996.A O no hydrogen 3.148 N/A SER 1001.A N ILE 997.A O no hydrogen 2.622 N/A SER 1001.A OG ILE 997.A O no hydrogen 2.768 N/A MET 1002.A N ASN 998.A O no hydrogen 2.853 N/A MET 1003.A N PHE 1000.A O no hydrogen 3.061 N/A LEU 1004.A N SER 1001.A O no hydrogen 3.365 N/A SER 1006.A OG MET 1003.A O no hydrogen 2.615 N/A GLU 1010.A N GLU 1010.A OE1 no hydrogen 2.636 N/A LEU 1011.A N MET 1008.A O no hydrogen 3.060 N/A GLN 1012.A N ASP 1016.A OD2 no hydrogen 2.573 N/A SER 1013.A N ASP 1016.A OD2 no hydrogen 2.717 N/A SER 1013.A OG ASP 1015.A OD1 no hydrogen 3.395 N/A ASP 1016.A N SER 1013.A O no hydrogen 2.638 N/A ALA 1018.A N PHE 1014.A O no hydrogen 2.921 N/A TYR 1019.A N ASP 1016.A O no hydrogen 3.496 N/A ILE 1020.A N ILE 1017.A O no hydrogen 3.030 N/A ARG 1021.A N ALA 1018.A O no hydrogen 3.055 N/A ARG 1021.A NE ASP 537.A OD2 no hydrogen 3.020 N/A ARG 1021.A NH1 ASP 1027.A OD1 no hydrogen 3.444 N/A ARG 1021.A NH1 ASP 1027.A OD2 no hydrogen 3.199 N/A ARG 1021.A NH2 ASP 537.A OD1 no hydrogen 3.171 N/A ARG 1021.A NH2 ASP 1027.A OD1 no hydrogen 2.884 N/A THR 1023.A N TYR 1019.A O no hydrogen 3.174 N/A THR 1023.A OG1 PHE 907.A O no hydrogen 3.067 N/A LEU 1024.A N ILE 1020.A O no hydrogen 3.172 N/A LEU 1026.A N ARG 1021.A O no hydrogen 3.165 N/A THR 1029.A N GLU 1032.A OE1 no hydrogen 3.444 N/A GLN 1031.A NE2 GLU 1035.A OE2 no hydrogen 2.635 N/A GLU 1032.A N THR 1029.A OG1 no hydrogen 3.196 N/A ALA 1033.A N THR 1029.A O no hydrogen 2.889 N/A LEU 1034.A N GLU 1030.A O no hydrogen 2.726 N/A GLU 1035.A N GLN 1031.A O no hydrogen 3.159 N/A TYR 1036.A N GLU 1032.A O no hydrogen 2.583 N/A PHE 1037.A N ALA 1033.A O no hydrogen 2.915 N/A MET 1038.A N LEU 1034.A O no hydrogen 2.788 N/A LYS 1039.A N GLU 1035.A O no hydrogen 2.732 N/A GLN 1040.A N TYR 1036.A O no hydrogen 2.812 N/A GLN 1040.A NE2 GLU 948.A O no hydrogen 3.255 N/A MET 1041.A N PHE 1037.A O no hydrogen 2.680 N/A ASN 1042.A N MET 1038.A O no hydrogen 2.642 N/A ASP 1043.A N LYS 1039.A O no hydrogen 3.125 N/A HIS 1045.A N ASN 1042.A O no hydrogen 3.099 N/A HIS 1046.A ND1 ASP 1043.A O no hydrogen 3.134 N/A