Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3htx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 THR 2.A O no hydrogen 2.716 N/A LYS 6.A NZ GLU 73.A OE2 no hydrogen 3.130 N/A ALA 7.A N GLN 69.A OE1 no hydrogen 3.134 N/A ILE 9.A N PRO 5.A O no hydrogen 3.399 N/A HIS 10.A N LYS 6.A O no hydrogen 3.419 N/A HIS 10.A N ALA 7.A O no hydrogen 2.801 N/A GLN 11.A N ILE 8.A O no hydrogen 2.673 N/A LYS 12.A N ILE 9.A O no hydrogen 3.005 N/A PHE 13.A N HIS 10.A O no hydrogen 3.162 N/A LYS 16.A NZ LYS 16.A O no hydrogen 2.675 N/A THR 20.A N HIS 48.A O no hydrogen 2.943 N/A GLU 22.A N ARG 46.A O no hydrogen 3.294 N/A VAL 24.A N LEU 44.A O no hydrogen 3.016 N/A SER 27.A OG ASP 26.A O no hydrogen 2.596 N/A ALA 36.A N ILE 773.A O no hydrogen 2.807 N/A GLY 41.A N GLN 39.A O no hydrogen 2.883 N/A CYS 43.A SG GLU 23.A OE1 no hydrogen 3.126 N/A CYS 43.A SG TYR 45.A OH no hydrogen 3.734 N/A LEU 44.A N VAL 24.A O no hydrogen 2.908 N/A TYR 45.A N PHE 61.A O no hydrogen 2.555 N/A ARG 46.A N GLU 22.A O no hydrogen 3.414 N/A CYS 47.A N SER 58.A OG no hydrogen 2.786 N/A CYS 47.A SG THR 20.A O no hydrogen 3.589 N/A CYS 47.A SG HIS 48.A O no hydrogen 3.734 N/A HIS 48.A N THR 20.A O no hydrogen 2.873 N/A HIS 48.A NE2 GLU 22.A OE1 no hydrogen 3.064 N/A LEU 49.A N VAL 56.A O no hydrogen 3.071 N/A GLN 50.A N SER 18.A O no hydrogen 3.170 N/A VAL 56.A N LEU 49.A O no hydrogen 3.044 N/A SER 58.A N CYS 47.A O no hydrogen 2.993 N/A SER 58.A OG CYS 47.A O no hydrogen 2.959 N/A SER 58.A OG SER 67.A O no hydrogen 3.340 N/A SER 67.A N LYS 63.A O no hydrogen 3.105 N/A SER 67.A OG LYS 64.A O no hydrogen 2.625 N/A GLU 68.A N LYS 64.A O no hydrogen 3.414 N/A SER 70.A N ASP 66.A O no hydrogen 2.856 N/A ALA 71.A N SER 67.A O no hydrogen 2.844 N/A ALA 72.A N GLU 68.A O no hydrogen 3.431 N/A GLU 73.A N GLN 69.A O no hydrogen 2.661 N/A LEU 74.A N SER 70.A O no hydrogen 3.028 N/A LEU 76.A N ALA 72.A O no hydrogen 3.068 N/A ASP 77.A N GLU 73.A O no hydrogen 3.191 N/A GLY 80.A N LEU 76.A O no hydrogen 3.131 N/A ILE 81.A N LEU 76.A O no hydrogen 2.561 N/A THR 89.A OG1 GLU 92.A OE2 no hydrogen 3.147 N/A ALA 93.A N THR 89.A O no hydrogen 3.184 N/A ALA 93.A N VAL 90.A O no hydrogen 3.078 N/A ARG 94.A N ASP 91.A O no hydrogen 2.917 N/A ASP 95.A N ASP 91.A O no hydrogen 3.278 N/A GLU 96.A N GLU 92.A O no hydrogen 3.087 N/A ILE 97.A N ALA 93.A O no hydrogen 2.929 N/A VAL 98.A N ARG 94.A O no hydrogen 2.664 N/A GLY 99.A N ASP 95.A O no hydrogen 2.698 N/A ARG 100.A N GLU 96.A O no hydrogen 2.681 N/A ARG 100.A NE ASP 143.A OD1 no hydrogen 3.386 N/A ARG 100.A NE ASP 143.A OD2 no hydrogen 3.371 N/A ARG 100.A NH2 ASP 143.A OD2 no hydrogen 2.821 N/A ILE 101.A N ILE 97.A O no hydrogen 2.907 N/A LYS 102.A N VAL 98.A O no hydrogen 3.017 N/A LYS 102.A NZ ASP 177.A OD2 no hydrogen 3.062 N/A TYR 103.A N GLY 99.A O no hydrogen 3.032 N/A ILE 104.A N ARG 100.A O no hydrogen 2.899 N/A PHE 105.A N ILE 101.A O no hydrogen 3.111 N/A SER 106.A N TYR 103.A O no hydrogen 3.007 N/A SER 106.A OG TYR 103.A O no hydrogen 2.656 N/A LEU 110.A N ASP 107.A O no hydrogen 3.165 N/A SER 111.A N GLU 108.A O no hydrogen 3.180 N/A SER 111.A OG GLU 108.A O no hydrogen 3.325 N/A ALA 112.A N PHE 109.A O no hydrogen 2.970 N/A GLY 117.A N HIS 114.A O no hydrogen 2.486 N/A ALA 118.A N PRO 115.A O no hydrogen 2.889 N/A HIS 119.A N PRO 115.A O no hydrogen 2.998 N/A LEU 120.A N LEU 116.A O no hydrogen 2.423 N/A ARG 121.A N GLY 117.A O no hydrogen 2.881 N/A ARG 121.A NE LEU 110.A O no hydrogen 3.172 N/A ARG 121.A NH1 ASP 315.A OD2 no hydrogen 2.842 N/A ARG 121.A NH2 LEU 110.A O no hydrogen 3.558 N/A ALA 122.A N ALA 118.A O no hydrogen 2.603 N/A ALA 123.A N HIS 119.A O no hydrogen 2.723 N/A LEU 124.A N ARG 121.A O no hydrogen 3.246 N/A ARG 125.A N ALA 122.A O no hydrogen 3.018 N/A ARG 125.A NE SER 232.A O no hydrogen 2.997 N/A ARG 125.A NH2 SER 232.A O no hydrogen 3.558 N/A ARG 126.A N ALA 123.A O no hydrogen 3.293 N/A ARG 126.A NH1 SER 133.A O no hydrogen 2.722 N/A ARG 126.A NH1 HIS 184.A O no hydrogen 3.167 N/A ARG 130.A N ASP 127.A O no hydrogen 3.112 N/A ARG 130.A NH2 LYS 247.A O no hydrogen 2.702 N/A CYS 131.A N GLY 128.A O no hydrogen 2.678 N/A CYS 131.A SG LEU 124.A O no hydrogen 3.444 N/A GLY 132.A N ALA 123.A O no hydrogen 3.020 N/A SER 133.A N ARG 130.A O no hydrogen 3.351 N/A SER 133.A OG CYS 131.A O no hydrogen 3.475 N/A SER 133.A OG SER 182.A OG no hydrogen 3.119 N/A VAL 134.A N LEU 186.A O no hydrogen 2.821 N/A SER 137.A OG VAL 252.A O no hydrogen 3.191 N/A VAL 138.A N PRO 135.A O no hydrogen 3.110 N/A ALA 140.A N VAL 136.A O no hydrogen 3.286 N/A THR 141.A N SER 137.A O no hydrogen 3.077 N/A THR 141.A OG1 SER 137.A O no hydrogen 2.670 N/A VAL 142.A N VAL 138.A O no hydrogen 3.179 N/A ILE 146.A N ASP 143.A OD1 no hydrogen 3.405 N/A ASN 147.A N ASP 143.A O no hydrogen 3.422 N/A ASN 147.A ND2 THR 141.A O no hydrogen 3.298 N/A SER 148.A N ALA 144.A O no hydrogen 2.575 N/A SER 148.A OG LYS 145.A O no hydrogen 3.161 N/A ARG 149.A N LYS 145.A O no hydrogen 3.068 N/A CYS 150.A N ILE 146.A O no hydrogen 2.700 N/A CYS 150.A SG ILE 146.A O no hydrogen 3.032 N/A LYS 151.A N ASN 147.A O no hydrogen 2.716 N/A ILE 152.A N SER 148.A O no hydrogen 3.266 N/A ILE 153.A N ARG 149.A O no hydrogen 3.015 N/A ASN 154.A N LYS 151.A O no hydrogen 2.995 N/A ASN 154.A ND2 SER 156.A OG no hydrogen 2.473 N/A SER 156.A N ASN 154.A OD1 no hydrogen 2.880 N/A VAL 157.A N ASN 154.A O no hydrogen 3.085 N/A GLU 158.A N PRO 155.A O no hydrogen 3.097 N/A SER 159.A OG SER 156.A O no hydrogen 2.816 N/A ASP 160.A N SER 156.A O no hydrogen 2.807 N/A LEU 163.A N ASP 160.A O no hydrogen 3.249 N/A SER 166.A N PHE 162.A O no hydrogen 3.276 N/A SER 166.A OG LEU 163.A O no hydrogen 2.565 N/A TYR 167.A N LEU 163.A O no hydrogen 3.020 N/A VAL 168.A N ALA 164.A O no hydrogen 2.953 N/A MET 169.A N ILE 165.A O no hydrogen 2.978 N/A LYS 170.A N SER 166.A O no hydrogen 2.873 N/A ALA 171.A N TYR 167.A O no hydrogen 3.002 N/A ALA 172.A N VAL 168.A O no hydrogen 3.116 N/A ALA 173.A N MET 169.A O no hydrogen 2.911 N/A LYS 174.A N LYS 170.A O no hydrogen 3.138 N/A LEU 175.A N ALA 171.A O no hydrogen 3.195 N/A VAL 180.A N ARG 187.A O no hydrogen 2.779 N/A SER 182.A N GLY 185.A O no hydrogen 2.816 N/A SER 182.A OG SER 133.A OG no hydrogen 3.119 N/A SER 182.A OG GLY 185.A O no hydrogen 3.008 N/A HIS 184.A N SER 182.A OG no hydrogen 3.156 N/A HIS 184.A ND1 ASP 248.A OD2 no hydrogen 2.492 N/A GLY 185.A N SER 182.A O no hydrogen 3.012 N/A LEU 186.A N VAL 134.A O no hydrogen 2.663 N/A ARG 187.A N VAL 180.A O no hydrogen 3.120 N/A ARG 187.A NH2 CYS 131.A O no hydrogen 3.439 N/A LYS 189.A N TYR 178.A O no hydrogen 3.057 N/A LYS 189.A NZ ALA 176.A O no hydrogen 2.715 N/A SER 194.A OG GLU 198.A OE2 no hydrogen 2.862 N/A GLU 198.A N SER 194.A O no hydrogen 3.101 N/A ALA 199.A N GLU 195.A O no hydrogen 2.711 N/A LEU 200.A N ILE 196.A O no hydrogen 2.934 N/A ALA 201.A N VAL 197.A O no hydrogen 2.985 N/A THR 202.A N GLU 198.A O no hydrogen 3.167 N/A THR 202.A OG1 GLU 198.A O no hydrogen 3.185 N/A HIS 203.A N LEU 200.A O no hydrogen 3.271 N/A HIS 203.A ND1 LEU 200.A O no hydrogen 2.760 N/A VAL 204.A N ALA 201.A O no hydrogen 3.413 N/A SER 207.A N ILE 230.A O no hydrogen 3.310 N/A VAL 210.A N LEU 228.A O no hydrogen 2.894 N/A ALA 211.A N ASP 321.A OD2 no hydrogen 3.497 N/A ALA 212.A N ASP 226.A O no hydrogen 3.290 N/A VAL 213.A N LEU 305.A O no hydrogen 3.213 N/A TYR 214.A N GLU 224.A O no hydrogen 2.738 N/A ILE 215.A N ALA 303.A O no hydrogen 2.961 N/A GLU 221.A N ILE 218.A O no hydrogen 2.686 N/A GLU 224.A N TYR 214.A O no hydrogen 3.261 N/A ASP 226.A N ALA 212.A O no hydrogen 2.933 N/A LEU 228.A N VAL 210.A O no hydrogen 3.299 N/A ILE 230.A N ARG 208.A O no hydrogen 3.138 N/A SER 231.A OG ASN 233.A OD1 no hydrogen 2.996 N/A ASN 233.A ND2 ASP 127.A OD1 no hydrogen 3.029 N/A ARG 234.A N SER 231.A O no hydrogen 2.845 N/A ASP 238.A N HIS 235.A O no hydrogen 2.830 N/A SER 239.A OG TYR 229.A O no hydrogen 2.966 N/A ILE 240.A N TYR 236.A O no hydrogen 3.046 N/A ALA 241.A N LEU 237.A O no hydrogen 2.662 N/A GLU 242.A N ASP 238.A O no hydrogen 2.778 N/A ARG 243.A N ILE 240.A O no hydrogen 2.917 N/A ARG 243.A NH1 THR 227.A O no hydrogen 2.592 N/A LEU 244.A N ALA 241.A O no hydrogen 2.651 N/A LYS 247.A N GLN 251.A OE1 no hydrogen 2.687 N/A ASP 248.A N GLN 251.A OE1 no hydrogen 2.919 N/A GLY 249.A N ASP 248.A OD1 no hydrogen 2.532 N/A VAL 252.A N GLY 249.A O no hydrogen 2.906 N/A MET 253.A N SER 271.A O no hydrogen 2.655 N/A SER 255.A N LEU 269.A O no hydrogen 3.418 N/A SER 255.A OG ARG 256.A O no hydrogen 3.117 N/A ARG 256.A N GLN 297.A OE1 no hydrogen 2.913 N/A PHE 258.A N CYS 267.A O no hydrogen 2.851 N/A CYS 263.A N GLY 259.A O no hydrogen 3.292 N/A GLY 264.A N LYS 260.A O no hydrogen 2.796 N/A CYS 267.A N PHE 258.A O no hydrogen 2.941 N/A CYS 267.A SG SER 265.A O no hydrogen 3.439 N/A ARG 268.A N ALA 306.A O no hydrogen 3.093 N/A ARG 268.A NH1 SER 255.A O no hydrogen 3.144 N/A LEU 269.A N SER 255.A OG no hydrogen 2.731 N/A TYR 270.A N ILE 304.A O no hydrogen 2.718 N/A TYR 270.A OH VAL 308.A O no hydrogen 3.220 N/A SER 271.A N MET 253.A O no hydrogen 3.322 N/A LYS 276.A NZ HIS 282.A O no hydrogen 3.456 N/A TYR 277.A N PRO 274.A O no hydrogen 3.264 N/A ASP 279.A N LYS 275.A O no hydrogen 3.514 N/A LYS 285.A NZ GLU 272.A OE1 no hydrogen 2.587 N/A LYS 285.A NZ GLU 272.A OE2 no hydrogen 3.480 N/A ARG 287.A NH1 ASP 298.A OD1 no hydrogen 3.472 N/A ASN 288.A N ILE 299.A O no hydrogen 2.977 N/A ASN 288.A ND2 ILE 215.A O no hydrogen 2.991 N/A ASN 288.A ND2 GLY 301.A O no hydrogen 3.035 N/A ARG 290.A NH1 PRO 216.A O no hydrogen 3.364 N/A ARG 290.A NH1 GLU 221.A O no hydrogen 3.113 N/A ARG 290.A NH2 GLU 221.A O no hydrogen 2.851 N/A ALA 291.A N ASN 288.A OD1 no hydrogen 3.016 N/A SER 292.A N ASN 288.A O no hydrogen 3.221 N/A SER 292.A OG ASN 288.A O no hydrogen 2.995 N/A TYR 293.A N ARG 290.A O no hydrogen 2.851 N/A ILE 294.A N ARG 290.A O no hydrogen 3.397 N/A CYS 295.A N ALA 291.A O no hydrogen 3.378 N/A CYS 295.A SG ALA 291.A O no hydrogen 3.441 N/A CYS 295.A SG GLN 297.A O no hydrogen 3.704 N/A CYS 295.A SG GLN 297.A OE1 no hydrogen 4.027 N/A GLY 296.A N TYR 293.A O no hydrogen 3.040 N/A GLN 297.A N SER 292.A O no hydrogen 3.455 N/A GLN 297.A NE2 GLU 158.A O no hydrogen 3.661 N/A ILE 299.A N SER 292.A OG no hydrogen 3.331 N/A GLY 301.A N SER 286.A O no hydrogen 2.754 N/A ALA 303.A N ILE 215.A O no hydrogen 2.928 N/A ILE 304.A N TYR 270.A O no hydrogen 2.682 N/A LEU 305.A N VAL 213.A O no hydrogen 3.043 N/A ALA 306.A N ARG 268.A O no hydrogen 3.124 N/A SER 307.A OG GLU 266.A O no hydrogen 2.829 N/A GLY 309.A N ASP 318.A O no hydrogen 3.143 N/A SER 314.A N TRP 312.A O no hydrogen 2.588 N/A ASP 318.A N GLY 309.A O no hydrogen 3.055 N/A ASP 320.A N SER 307.A O no hydrogen 2.917 N/A THR 323.A N SER 326.A OG no hydrogen 3.057 N/A THR 323.A OG1 SER 326.A OG no hydrogen 3.114 N/A SER 326.A N THR 323.A O no hydrogen 2.894 N/A SER 326.A OG THR 323.A OG1 no hydrogen 3.114 N/A PHE 327.A N THR 323.A O no hydrogen 3.399 N/A ARG 329.A N ASN 325.A O no hydrogen 3.203 N/A ILE 330.A N SER 326.A O no hydrogen 3.055 N/A CYS 331.A N PHE 327.A O no hydrogen 3.286 N/A CYS 331.A N TYR 328.A O no hydrogen 3.137 N/A CYS 331.A SG PHE 327.A O no hydrogen 3.142 N/A CYS 332.A N TYR 328.A O no hydrogen 3.095 N/A CYS 332.A SG TYR 328.A O no hydrogen 3.136 N/A CYS 332.A SG ALA 512.A O no hydrogen 3.632 N/A GLY 333.A N ARG 329.A O no hydrogen 2.835 N/A MET 334.A N CYS 331.A O no hydrogen 2.665 N/A SER 335.A OG CYS 332.A O no hydrogen 3.266 N/A GLY 338.A N SER 335.A OG no hydrogen 2.968 N/A ILE 339.A N SER 335.A O no hydrogen 2.931 N/A TYR 340.A N PRO 336.A O no hydrogen 3.056 N/A TYR 340.A OH ARG 363.A O no hydrogen 2.849 N/A LYS 341.A N ASN 337.A O no hydrogen 3.240 N/A LYS 341.A NZ VAL 347.A O no hydrogen 2.553 N/A LYS 341.A NZ ALA 350.A O no hydrogen 2.656 N/A ILE 342.A N GLY 338.A O no hydrogen 2.885 N/A SER 343.A N ILE 339.A O no hydrogen 2.790 N/A SER 343.A OG ILE 339.A O no hydrogen 2.519 N/A ARG 344.A N TYR 340.A O no hydrogen 2.788 N/A GLN 345.A N ILE 342.A O no hydrogen 3.037 N/A ALA 346.A N LYS 341.A O no hydrogen 3.323 N/A ILE 348.A N GLU 469.A OE1 no hydrogen 3.149 N/A ALA 350.A N ALA 346.A O no hydrogen 3.116 N/A GLN 351.A N SER 482.A O no hydrogen 3.180 N/A PHE 354.A N THR 480.A O no hydrogen 3.094 N/A THR 357.A OG1 GLU 477.A OE2 no hydrogen 2.784 N/A ASN 361.A N THR 358.A O no hydrogen 2.885 N/A TRP 362.A N THR 358.A O no hydrogen 3.329 N/A TRP 362.A NE1 PRO 365.A O no hydrogen 3.060 N/A LEU 366.A N GLU 369.A OE1 no hydrogen 3.376 N/A ARG 368.A N GLN 418.A OE1 no hydrogen 2.742 N/A ILE 370.A N LEU 366.A O no hydrogen 2.980 N/A LEU 371.A N ARG 368.A O no hydrogen 2.798 N/A GLY 372.A N ARG 368.A O no hydrogen 2.881 N/A LEU 373.A N GLU 369.A O no hydrogen 2.937 N/A CYS 375.A N LEU 371.A O no hydrogen 3.039 N/A CYS 375.A SG LEU 371.A O no hydrogen 2.928 N/A HIS 376.A N GLY 372.A O no hydrogen 3.137 N/A GLN 377.A N LEU 373.A O no hydrogen 3.332 N/A GLN 377.A NE2 GLY 333.A O no hydrogen 3.343 N/A HIS 378.A N CYS 375.A O no hydrogen 2.848 N/A ARG 379.A N HIS 376.A O no hydrogen 3.345 N/A ARG 379.A NH1 GLU 158.A O no hydrogen 3.444 N/A LEU 380.A N CYS 375.A O no hydrogen 2.843 N/A ALA 381.A N THR 395.A O no hydrogen 3.268 N/A ILE 384.A N ILE 393.A O no hydrogen 3.065 N/A SER 386.A N VAL 391.A O no hydrogen 2.610 N/A VAL 391.A N SER 386.A O no hydrogen 2.903 N/A LYS 392.A N CYS 404.A O no hydrogen 2.654 N/A LYS 392.A NZ SER 421.A OG no hydrogen 3.271 N/A ILE 393.A N ILE 384.A O no hydrogen 2.898 N/A PHE 394.A N LEU 402.A O no hydrogen 2.732 N/A LYS 396.A N ASP 399.A O no hydrogen 3.036 N/A ASP 399.A N LYS 396.A O no hydrogen 2.892 N/A VAL 401.A N PHE 394.A O no hydrogen 3.476 N/A CYS 404.A N LYS 392.A O no hydrogen 2.800 N/A ALA 416.A N LYS 412.A O no hydrogen 3.314 N/A ILE 417.A N GLU 413.A O no hydrogen 3.296 N/A GLN 418.A N ASN 414.A O no hydrogen 2.751 N/A GLN 418.A NE2 ASN 414.A OD1 no hydrogen 2.646 N/A ASN 419.A N ASP 415.A O no hydrogen 3.017 N/A ALA 420.A N ALA 416.A O no hydrogen 3.330 N/A SER 421.A N ILE 417.A O no hydrogen 3.087 N/A SER 421.A OG ILE 417.A O no hydrogen 3.097 N/A LEU 422.A N GLN 418.A O no hydrogen 3.177 N/A LEU 422.A N ASN 419.A O no hydrogen 3.289 N/A LYS 423.A N ASN 419.A O no hydrogen 3.329 N/A ALA 424.A N ALA 420.A O no hydrogen 3.007 N/A LEU 425.A N SER 421.A O no hydrogen 3.144 N/A LEU 426.A N LEU 422.A O no hydrogen 2.816 N/A LEU 426.A N LYS 423.A O no hydrogen 2.993 N/A TRP 427.A N LYS 423.A O no hydrogen 3.130 N/A PHE 428.A N ALA 424.A O no hydrogen 3.251 N/A SER 429.A N LEU 425.A O no hydrogen 3.196 N/A LYS 430.A N TRP 427.A O no hydrogen 2.741 N/A PHE 431.A N PHE 428.A O no hydrogen 2.960 N/A LEU 435.A N ASP 434.A OD1 no hydrogen 2.556 N/A SER 439.A N LYS 503.A O no hydrogen 3.317 N/A SER 439.A OG LYS 503.A O no hydrogen 3.527 N/A LYS 440.A NZ GLU 490.A OE1 no hydrogen 3.518 N/A ASN 441.A N SER 501.A O no hydrogen 2.715 N/A GLY 447.A N VAL 478.A O no hydrogen 3.046 N/A SER 448.A OG THR 445.A O no hydrogen 2.516 N/A VAL 449.A N LYS 544.A O no hydrogen 3.183 N/A VAL 450.A N PHE 476.A O no hydrogen 2.978 N/A SER 451.A N GLY 542.A O no hydrogen 3.082 N/A SER 451.A OG GLY 542.A O no hydrogen 3.527 N/A ILE 452.A N ILE 474.A O no hydrogen 3.076 N/A CYS 453.A N LEU 539.A O no hydrogen 2.939 N/A CYS 453.A SG ASN 471.A O no hydrogen 3.317 N/A TYR 454.A N ASN 471.A O no hydrogen 3.233 N/A TYR 454.A OH GLU 469.A OE2 no hydrogen 2.497 N/A SER 455.A N ASN 537.A O no hydrogen 3.022 N/A LEU 456.A N GLU 469.A O no hydrogen 2.674 N/A SER 457.A N ASN 535.A O no hydrogen 2.986 N/A SER 457.A OG GLU 466.A O no hydrogen 2.850 N/A LEU 458.A N GLU 466.A O no hydrogen 2.929 N/A ALA 459.A N CYS 533.A O no hydrogen 3.230 N/A ASP 461.A N ARG 531.A O no hydrogen 2.819 N/A GLU 466.A N LEU 458.A O no hydrogen 3.015 N/A ILE 468.A N LEU 456.A O no hydrogen 3.040 N/A GLU 469.A N LEU 456.A O no hydrogen 3.445 N/A ASN 471.A ND2 TYR 454.A OH no hydrogen 3.358 N/A GLU 473.A N ASN 471.A OD1 no hydrogen 3.374 N/A ILE 474.A N ILE 452.A O no hydrogen 3.224 N/A PHE 476.A N VAL 450.A O no hydrogen 2.810 N/A VAL 478.A N SER 448.A O no hydrogen 2.902 N/A GLY 479.A N GLU 488.A OE2 no hydrogen 3.311 N/A THR 480.A OG1 GLU 477.A OE1 no hydrogen 2.775 N/A SER 482.A OG GLU 477.A O no hydrogen 2.808 N/A ASN 484.A N ALA 349.A O no hydrogen 2.956 N/A HIS 486.A ND1 GLU 438.A OE2 no hydrogen 2.695 N/A GLU 488.A N ASN 484.A O no hydrogen 3.101 N/A SER 489.A N PRO 485.A O no hydrogen 2.843 N/A SER 489.A OG PRO 485.A O no hydrogen 3.500 N/A SER 489.A OG HIS 486.A O no hydrogen 3.262 N/A GLU 490.A N HIS 486.A O no hydrogen 3.073 N/A VAL 491.A N ILE 487.A O no hydrogen 3.088 N/A THR 492.A N GLU 488.A O no hydrogen 3.003 N/A THR 492.A OG1 GLU 488.A O no hydrogen 3.301 N/A THR 492.A OG1 SER 489.A O no hydrogen 3.064 N/A GLN 493.A N GLU 490.A O no hydrogen 3.447 N/A GLN 493.A NE2 SER 489.A O no hydrogen 3.328 N/A GLN 493.A NE2 THR 492.A OG1 no hydrogen 3.079 N/A THR 495.A N GLU 498.A OE1 no hydrogen 2.756 N/A GLY 497.A N LEU 540.A O no hydrogen 3.167 N/A GLU 498.A N THR 495.A O no hydrogen 3.108 N/A ALA 500.A N ILE 538.A O no hydrogen 2.745 N/A SER 501.A OG ASN 441.A O no hydrogen 3.007 N/A PHE 502.A N TYR 536.A O no hydrogen 2.901 N/A LYS 503.A N SER 439.A O no hydrogen 3.141 N/A MET 504.A N LEU 534.A O no hydrogen 2.878 N/A THR 505.A OG1 ASP 461.A OD2 no hydrogen 3.315 N/A LEU 513.A N ALA 510.A O no hydrogen 2.550 N/A ILE 514.A N ALA 510.A O no hydrogen 3.261 N/A LEU 515.A N GLU 511.A O no hydrogen 2.753 N/A ALA 516.A N ALA 512.A O no hydrogen 3.154 N/A VAL 517.A N LEU 513.A O no hydrogen 3.116 N/A GLY 518.A N ILE 514.A O no hydrogen 3.221 N/A THR 521.A OG1 GLY 518.A O no hydrogen 2.885 N/A ARG 523.A N ASP 520.A O no hydrogen 2.948 N/A ARG 523.A NE SER 463.A O no hydrogen 3.418 N/A ILE 524.A N ASP 520.A O no hydrogen 3.338 N/A ARG 525.A N THR 521.A O no hydrogen 2.810 N/A ARG 525.A NH1 VAL 223.A O no hydrogen 3.044 N/A ARG 525.A NH2 TYR 328.A OH no hydrogen 3.193 N/A SER 526.A N VAL 522.A O no hydrogen 3.267 N/A SER 526.A OG ARG 523.A O no hydrogen 2.413 N/A LEU 527.A N ARG 523.A O no hydrogen 3.209 N/A LEU 528.A N ILE 524.A O no hydrogen 3.204 N/A SER 529.A N SER 526.A O no hydrogen 2.835 N/A SER 529.A OG SER 526.A O no hydrogen 2.596 N/A CYS 533.A N ALA 459.A O no hydrogen 2.840 N/A CYS 533.A SG ALA 459.A O no hydrogen 3.841 N/A CYS 533.A SG ASN 535.A OD1 no hydrogen 3.423 N/A LEU 534.A N MET 504.A O no hydrogen 2.819 N/A ASN 535.A N SER 457.A O no hydrogen 2.823 N/A TYR 536.A N PHE 502.A O no hydrogen 2.681 N/A TYR 536.A OH ASP 508.A OD1 no hydrogen 2.825 N/A ASN 537.A N SER 455.A O no hydrogen 2.919 N/A ASN 537.A ND2 SER 455.A O no hydrogen 3.445 N/A ILE 538.A N ALA 500.A O no hydrogen 2.811 N/A LEU 539.A N CYS 453.A O no hydrogen 2.857 N/A LEU 540.A N GLU 498.A O no hydrogen 2.875 N/A LEU 541.A N SER 451.A O no hydrogen 2.817 N/A LYS 544.A NZ SER 451.A OG no hydrogen 3.029 N/A LYS 544.A NZ GLU 475.A OE1 no hydrogen 3.344 N/A LYS 562.A N PRO 559.A O no hydrogen 2.731 N/A GLN 563.A N PRO 559.A O no hydrogen 3.337 N/A GLN 563.A NE2 PRO 558.A O no hydrogen 2.806 N/A ARG 564.A N LEU 560.A O no hydrogen 3.128 N/A VAL 565.A N SER 561.A O no hydrogen 3.138 N/A GLU 566.A N LYS 562.A O no hydrogen 2.739 N/A TYR 567.A N GLN 563.A O no hydrogen 2.713 N/A TYR 567.A OH HIS 571.A NE2 no hydrogen 3.187 N/A ALA 568.A N ARG 564.A O no hydrogen 3.188 N/A LEU 569.A N VAL 565.A O no hydrogen 2.894 N/A LEU 569.A N GLU 566.A O no hydrogen 2.759 N/A LYS 570.A N GLU 566.A O no hydrogen 2.935 N/A HIS 571.A N TYR 567.A O no hydrogen 3.516 N/A HIS 571.A NE2 TYR 567.A OH no hydrogen 3.187 N/A ARG 573.A N LEU 569.A O no hydrogen 3.054 N/A GLU 574.A N LYS 570.A O no hydrogen 2.884 N/A SER 575.A N HIS 571.A O no hydrogen 3.172 N/A SER 575.A OG HIS 571.A O no hydrogen 2.606 N/A SER 576.A OG SER 600.A OG no hydrogen 2.528 N/A SER 578.A OG ASP 653.A OD2 no hydrogen 2.974 N/A THR 579.A OG1 ASP 651.A O no hydrogen 2.828 N/A LEU 580.A N THR 603.A O no hydrogen 3.206 N/A VAL 581.A N ILE 654.A O no hydrogen 3.103 N/A ASP 582.A N ILE 605.A O no hydrogen 2.884 N/A GLY 584.A N VAL 607.A O no hydrogen 2.738 N/A CYS 585.A N ASP 582.A O no hydrogen 2.781 N/A ASP 592.A N GLY 588.A O no hydrogen 2.384 N/A SER 593.A N SER 589.A O no hydrogen 2.928 N/A SER 593.A OG SER 589.A O no hydrogen 3.173 N/A LEU 594.A N LEU 590.A O no hydrogen 2.859 N/A LEU 595.A N LEU 591.A O no hydrogen 3.265 N/A LEU 595.A N ASP 592.A O no hydrogen 3.240 N/A ASP 596.A N SER 593.A O no hydrogen 3.292 N/A THR 599.A OG1 TYR 597.A O no hydrogen 3.256 N/A SER 600.A OG SER 576.A OG no hydrogen 2.528 N/A LEU 601.A N THR 599.A O no hydrogen 2.603 N/A GLN 602.A N SER 578.A O no hydrogen 2.681 N/A THR 603.A N SER 578.A O no hydrogen 3.359 N/A ILE 605.A N LEU 580.A O no hydrogen 3.028 N/A GLY 606.A N THR 636.A O no hydrogen 2.719 N/A VAL 607.A N ASP 582.A O no hydrogen 3.488 N/A ASP 608.A N TYR 638.A O no hydrogen 2.949 N/A SER 610.A N ASP 608.A OD1 no hydrogen 2.590 N/A GLY 613.A N SER 610.A O no hydrogen 3.095 N/A GLY 613.A N SER 610.A OG no hydrogen 3.323 N/A LEU 614.A N SER 610.A O no hydrogen 2.936 N/A ALA 615.A N PRO 611.A O no hydrogen 3.250 N/A ALA 617.A N GLY 613.A O no hydrogen 3.288 N/A ALA 618.A N LEU 614.A O no hydrogen 3.161 N/A LYS 619.A N ALA 615.A O no hydrogen 3.288 N/A MET 620.A N ARG 616.A O no hydrogen 3.352 N/A LEU 621.A N ALA 617.A O no hydrogen 2.846 N/A HIS 622.A N ALA 618.A O no hydrogen 3.021 N/A VAL 623.A N LYS 619.A O no hydrogen 3.271 N/A LYS 624.A N MET 620.A O no hydrogen 2.847 N/A LYS 624.A NZ ASP 592.A O no hydrogen 2.991 N/A LYS 624.A NZ ASP 592.A OD2 no hydrogen 2.670 N/A LYS 624.A NZ ASP 596.A OD1 no hydrogen 3.266 N/A LYS 624.A NZ ASP 596.A OD2 no hydrogen 3.423 N/A LEU 625.A N LEU 621.A O no hydrogen 3.046 N/A ASN 626.A N VAL 623.A O no hydrogen 3.336 N/A ASN 626.A ND2 HIS 622.A ND1 no hydrogen 3.427 N/A LYS 627.A NZ ASP 596.A OD1 no hydrogen 3.253 N/A CYS 630.A SG GLU 628.A O no hydrogen 3.830 N/A LYS 633.A N GLN 602.A O no hydrogen 2.915 N/A LEU 637.A N TRP 774.A O no hydrogen 3.196 N/A TYR 638.A N GLY 606.A O no hydrogen 2.737 N/A ASP 639.A N LYS 771.A O no hydrogen 3.185 N/A GLY 640.A N ASP 608.A O no hydrogen 2.740 N/A GLU 644.A N SER 641.A O no hydrogen 2.609 N/A SER 647.A N MET 767.A O no hydrogen 3.166 N/A SER 647.A OG MET 767.A O no hydrogen 3.048 N/A ARG 648.A N ASP 646.A OD2 no hydrogen 3.115 N/A ARG 648.A NE ASP 646.A OD2 no hydrogen 3.025 N/A ARG 648.A NH2 ASP 646.A OD1 no hydrogen 3.346 N/A LEU 649.A N ASP 646.A O no hydrogen 3.243 N/A ASP 653.A N THR 579.A O no hydrogen 3.097 N/A ASP 653.A N THR 579.A OG1 no hydrogen 3.271 N/A ILE 654.A N THR 579.A O no hydrogen 3.353 N/A THR 656.A N VAL 581.A O no hydrogen 2.792 N/A CYS 657.A N ILE 686.A O no hydrogen 3.115 N/A HIS 663.A N VAL 660.A O no hydrogen 2.689 N/A HIS 663.A NE2 GLU 659.A OE1 no hydrogen 3.234 N/A MET 664.A N ILE 661.A O no hydrogen 3.053 N/A GLU 665.A N GLN 668.A OE1 no hydrogen 3.042 N/A ALA 669.A N GLU 665.A O no hydrogen 2.782 N/A CYS 670.A SG GLU 666.A O no hydrogen 3.456 N/A GLU 671.A N ASP 667.A O no hydrogen 2.644 N/A PHE 672.A N GLN 668.A O no hydrogen 3.086 N/A GLY 673.A N ALA 669.A O no hydrogen 2.989 N/A GLU 674.A N CYS 670.A O no hydrogen 2.768 N/A LYS 675.A N GLU 671.A O no hydrogen 2.964 N/A LYS 675.A NZ LEU 643.A O no hydrogen 3.041 N/A VAL 676.A N PHE 672.A O no hydrogen 2.898 N/A LEU 677.A N GLY 673.A O no hydrogen 3.113 N/A SER 678.A N GLU 674.A O no hydrogen 3.111 N/A SER 678.A OG GLU 674.A O no hydrogen 3.240 N/A LEU 679.A N LYS 675.A O no hydrogen 2.749 N/A LYS 683.A N VAL 652.A O no hydrogen 3.259 N/A LEU 684.A N ASP 653.A O no hydrogen 2.817 N/A LEU 685.A N PHE 757.A O no hydrogen 2.817 N/A ILE 686.A N GLY 655.A O no hydrogen 2.676 N/A VAL 687.A N ALA 755.A O no hydrogen 3.103 N/A SER 688.A N CYS 657.A O no hydrogen 3.430 N/A THR 689.A N GLN 753.A O no hydrogen 3.094 N/A THR 689.A OG1 SER 688.A O no hydrogen 2.457 N/A ASN 691.A ND2 PHE 750.A O no hydrogen 3.142 N/A TYR 692.A N TRP 715.A O no hydrogen 2.583 N/A TYR 692.A OH PRO 704.A O no hydrogen 2.262 N/A PHE 694.A N ASN 691.A O no hydrogen 3.255 N/A ASN 695.A N TYR 692.A O no hydrogen 3.100 N/A ILE 697.A N PHE 694.A O no hydrogen 2.711 N/A GLN 699.A N ASN 695.A O no hydrogen 3.120 N/A ARG 700.A N ILE 697.A O no hydrogen 3.149 N/A SER 701.A N GLN 699.A O no hydrogen 2.677 N/A ARG 707.A NE ASN 695.A OD1 no hydrogen 2.667 N/A ARG 707.A NH2 ALA 751.A O no hydrogen 2.710 N/A HIS 711.A ND1 GLU 714.A OE2 no hydrogen 2.859 N/A LYS 712.A N GLU 662.A O no hydrogen 3.128 N/A TRP 715.A NE1 GLU 666.A OE1 no hydrogen 3.038 N/A ARG 717.A NH1 GLU 747.A O no hydrogen 3.229 N/A ARG 717.A NH2 GLU 747.A O no hydrogen 3.275 N/A ARG 717.A NH2 GLU 747.A OE2 no hydrogen 2.944 N/A GLN 719.A NE2 GLU 714.A O no hydrogen 3.463 N/A PHE 720.A N THR 716.A O no hydrogen 3.122 N/A ASN 721.A N ARG 717.A O no hydrogen 3.084 N/A GLN 722.A N GLU 718.A O no hydrogen 3.118 N/A TRP 723.A N GLN 719.A O no hydrogen 3.073 N/A ALA 724.A N PHE 720.A O no hydrogen 2.723 N/A SER 725.A N ASN 721.A O no hydrogen 2.895 N/A SER 725.A OG ASN 721.A O no hydrogen 3.156 N/A LYS 726.A N GLN 722.A O no hydrogen 2.917 N/A LEU 727.A N TRP 723.A O no hydrogen 3.028 N/A GLY 728.A N ALA 724.A O no hydrogen 2.988 N/A LYS 729.A N SER 725.A O no hydrogen 3.124 N/A ARG 730.A N LYS 726.A O no hydrogen 3.025 N/A HIS 731.A N GLY 728.A O no hydrogen 3.173 N/A HIS 731.A NE2 GLU 674.A OE2 no hydrogen 2.562 N/A ASN 732.A N LYS 729.A O no hydrogen 3.469 N/A TYR 733.A N GLY 728.A O no hydrogen 2.809 N/A TYR 733.A OH PRO 682.A O no hydrogen 2.748 N/A SER 734.A N ARG 758.A O no hydrogen 2.692 N/A GLU 736.A N ILE 756.A O no hydrogen 3.262 N/A SER 738.A N ILE 754.A O no hydrogen 2.959 N/A VAL 740.A N SER 752.A O no hydrogen 3.053 N/A GLY 749.A N VAL 746.A O no hydrogen 2.984 N/A SER 752.A N VAL 740.A O no hydrogen 3.127 N/A GLN 753.A N THR 689.A O no hydrogen 2.710 N/A GLN 753.A NE2 PRO 690.A O no hydrogen 2.708 N/A GLN 753.A NE2 TRP 715.A O no hydrogen 3.114 N/A GLN 753.A NE2 THR 716.A O no hydrogen 3.578 N/A ALA 755.A N VAL 687.A O no hydrogen 2.834 N/A ILE 756.A N GLU 736.A O no hydrogen 2.893 N/A PHE 757.A N LEU 685.A O no hydrogen 2.707 N/A ARG 758.A N SER 734.A O no hydrogen 2.755 N/A ARG 758.A NH1 GLU 736.A OE2 no hydrogen 2.752 N/A ARG 759.A N LYS 683.A O no hydrogen 3.031 N/A GLU 760.A N ASN 732.A O no hydrogen 3.380 N/A SER 762.A OG ARG 759.A O no hydrogen 3.134 N/A MET 767.A N SER 647.A OG no hydrogen 2.818 N/A TYR 770.A N ASP 646.A OD1 no hydrogen 3.114 N/A TYR 770.A OH SER 641.A O no hydrogen 3.054 N/A TYR 770.A OH GLU 644.A O no hydrogen 2.445 N/A ILE 773.A N LEU 637.A O no hydrogen 3.023 N/A LYS 778.A NZ GLU 628.A OE2 no hydrogen 3.047 N/A