Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3shf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N THR 6.A OG1 no hydrogen 3.215 N/A VAL 9.A N THR 6.A OG1 no hydrogen 2.819 N/A THR 11.A OG1 SER 7.A O no hydrogen 3.040 N/A VAL 12.A N PHE 8.A O no hydrogen 2.859 N/A LEU 13.A N VAL 9.A O no hydrogen 2.909 N/A CYS 14.A N ARG 10.A O no hydrogen 2.627 N/A GLU 15.A N THR 11.A O no hydrogen 2.706 N/A GLY 16.A N VAL 12.A O no hydrogen 3.452 N/A GLN 20.A NE2 CYS 325.A O no hydrogen 2.898 N/A ARG 21.A NE GLU 65.A OE2 no hydrogen 2.611 N/A ARG 21.A NH2 GLU 65.A OE1 no hydrogen 3.469 N/A ARG 21.A NH2 GLU 65.A OE2 no hydrogen 2.963 N/A THR 27.A OG1 THR 27.A O no hydrogen 2.393 N/A ARG 28.A NH1 CYS 57.A O no hydrogen 3.156 N/A LYS 29.A NZ THR 27.A O no hydrogen 2.674 N/A LEU 31.A N ARG 28.A O no hydrogen 2.782 N/A VAL 32.A N ARG 28.A O no hydrogen 3.389 N/A HIS 33.A N LYS 29.A O no hydrogen 2.994 N/A ALA 34.A N LYS 30.A O no hydrogen 3.412 N/A ILE 35.A N LEU 31.A O no hydrogen 2.957 N/A GLN 36.A N VAL 32.A O no hydrogen 3.284 N/A GLN 37.A N HIS 33.A O no hydrogen 2.973 N/A LEU 39.A N ILE 35.A O no hydrogen 3.243 N/A LEU 39.A N GLN 36.A O no hydrogen 2.777 N/A TRP 40.A N GLN 36.A O no hydrogen 3.266 N/A LYS 41.A N GLN 37.A O no hydrogen 2.949 N/A LEU 42.A N LEU 39.A O no hydrogen 3.126 N/A ASN 43.A N TRP 40.A O no hydrogen 2.565 N/A TRP 48.A NE1 MET 173.A O no hydrogen 3.298 N/A VAL 49.A N ILE 159.A O no hydrogen 3.010 N/A THR 50.A N HIS 177.A O no hydrogen 3.396 N/A ILE 51.A N LEU 161.A O no hydrogen 2.900 N/A GLY 53.A N THR 163.A O no hydrogen 3.015 N/A CYS 57.A SG MET 54.A O no hydrogen 2.804 N/A SER 60.A OG ASP 142.A OD1 no hydrogen 2.615 N/A SER 60.A OG ASP 142.A OD2 no hydrogen 3.291 N/A VAL 61.A N GLY 58.A O no hydrogen 2.571 N/A LEU 62.A N GLY 58.A O no hydrogen 2.892 N/A ALA 63.A N LYS 59.A O no hydrogen 2.617 N/A ALA 64.A N SER 60.A O no hydrogen 3.432 N/A GLU 65.A N VAL 61.A O no hydrogen 2.949 N/A ALA 66.A N LEU 62.A O no hydrogen 2.906 N/A ALA 66.A N ALA 63.A O no hydrogen 2.566 N/A VAL 67.A N ALA 63.A O no hydrogen 3.437 N/A ARG 68.A N GLU 65.A O no hydrogen 3.347 N/A ARG 68.A NH2 PRO 19.A O no hydrogen 2.728 N/A LEU 73.A N ASP 69.A O no hydrogen 2.981 N/A PHE 77.A N LEU 73.A O no hydrogen 2.791 N/A GLY 79.A N ARG 136.A O no hydrogen 3.188 N/A GLY 80.A N PHE 77.A O no hydrogen 2.652 N/A HIS 82.A N LEU 138.A O no hydrogen 2.926 N/A TRP 83.A N GLY 16.A O no hydrogen 2.844 N/A VAL 84.A N ILE 140.A O no hydrogen 2.841 N/A ILE 86.A N ASP 142.A O no hydrogen 3.248 N/A LYS 88.A NZ ASP 146.A OD1 no hydrogen 2.790 N/A LYS 88.A NZ ASP 146.A OD2 no hydrogen 2.972 N/A GLN 89.A NE2 ILE 86.A O no hydrogen 3.302 N/A LEU 94.A N ASP 90.A O no hydrogen 3.191 N/A LEU 95.A N LYS 91.A O no hydrogen 3.319 N/A MET 96.A N SER 92.A O no hydrogen 3.326 N/A LYS 97.A N GLY 93.A O no hydrogen 3.342 N/A LYS 97.A N LEU 94.A O no hydrogen 3.130 N/A LYS 97.A NZ SER 85.A O no hydrogen 3.033 N/A LYS 97.A NZ ASP 291.A O no hydrogen 3.195 N/A LEU 98.A N LEU 94.A O no hydrogen 2.954 N/A GLN 99.A N LEU 95.A O no hydrogen 2.787 N/A GLN 99.A NE2 PRO 116.A O no hydrogen 3.568 N/A GLN 99.A NE2 VAL 416.A O no hydrogen 3.299 N/A ASN 100.A N MET 96.A O no hydrogen 3.227 N/A LEU 101.A N LYS 97.A O no hydrogen 2.727 N/A CYS 102.A N LEU 98.A O no hydrogen 2.927 N/A CYS 102.A N GLN 99.A O no hydrogen 3.320 N/A CYS 102.A SG LEU 98.A O no hydrogen 2.957 N/A MET 103.A N GLN 99.A O no hydrogen 3.001 N/A ARG 104.A NH1 GLY 16.A O no hydrogen 2.656 N/A ARG 104.A NH2 TRP 83.A O no hydrogen 2.713 N/A LEU 105.A N LEU 101.A O no hydrogen 3.214 N/A ASP 106.A N CYS 102.A O no hydrogen 3.097 N/A GLU 109.A N ASP 106.A O no hydrogen 2.552 N/A SER 112.A OG GLN 113.A O no hydrogen 3.311 N/A ARG 114.A NE LEU 115.A O no hydrogen 3.431 N/A GLU 121.A N ASN 118.A OD1 no hydrogen 2.939 N/A ALA 122.A N ASN 118.A O no hydrogen 2.896 N/A LYS 123.A N ILE 119.A O no hydrogen 2.834 N/A LYS 123.A NZ ASN 155.A OD1 no hydrogen 3.496 N/A ASP 124.A N GLU 120.A O no hydrogen 3.407 N/A ARG 125.A N GLU 121.A O no hydrogen 3.201 N/A ARG 125.A NH1 ARG 114.A O no hydrogen 3.093 N/A ARG 125.A NH2 ARG 114.A O no hydrogen 3.443 N/A ARG 125.A NH2 GLU 121.A OE1 no hydrogen 3.561 N/A LEU 126.A N ALA 122.A O no hydrogen 2.895 N/A ARG 127.A N LYS 123.A O no hydrogen 2.881 N/A VAL 128.A N ASP 124.A O no hydrogen 3.058 N/A LEU 129.A N ARG 125.A O no hydrogen 3.401 N/A MET 130.A N LEU 126.A O no hydrogen 3.102 N/A LYS 133.A NZ SER 110.A OG no hydrogen 3.177 N/A SER 137.A OG HIS 134.A O no hydrogen 3.164 N/A SER 137.A OG PRO 135.A O no hydrogen 3.260 N/A LEU 138.A N GLY 80.A O no hydrogen 2.872 N/A LEU 139.A N GLN 158.A O no hydrogen 3.299 N/A ILE 140.A N HIS 82.A O no hydrogen 2.696 N/A LEU 141.A N LEU 160.A O no hydrogen 3.039 N/A ASP 142.A N VAL 84.A O no hydrogen 3.374 N/A ASP 143.A N THR 162.A OG1 no hydrogen 2.650 N/A VAL 144.A N THR 162.A O no hydrogen 2.915 N/A TRP 145.A NE1 ASP 143.A OD2 no hydrogen 2.969 N/A VAL 149.A N ASP 146.A O no hydrogen 2.944 N/A LEU 150.A N PRO 147.A O no hydrogen 2.718 N/A PHE 153.A N LEU 150.A O no hydrogen 2.831 N/A ASN 155.A N PHE 153.A O no hydrogen 2.614 N/A ASN 155.A ND2 ALA 152.A O no hydrogen 3.079 N/A CYS 157.A SG ASN 155.A O no hydrogen 3.194 N/A GLN 158.A NE2 ASN 43.A O no hydrogen 2.992 N/A GLN 158.A NE2 GLU 45.A O no hydrogen 3.649 N/A ILE 159.A N GLY 47.A O no hydrogen 3.473 N/A LEU 160.A N LEU 139.A O no hydrogen 2.880 N/A LEU 161.A N VAL 49.A O no hydrogen 2.992 N/A THR 162.A N LEU 141.A O no hydrogen 3.036 N/A THR 162.A OG1 ASP 142.A OD1 no hydrogen 3.121 N/A THR 163.A N ILE 51.A O no hydrogen 3.427 N/A THR 163.A OG1 VAL 144.A O no hydrogen 2.652 N/A THR 163.A OG1 ASP 165.A O no hydrogen 3.322 N/A ASP 165.A N THR 163.A OG1 no hydrogen 3.147 N/A SER 167.A N ASP 165.A OD1 no hydrogen 2.847 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.738 N/A SER 167.A OG ASP 165.A OD2 no hydrogen 3.128 N/A VAL 168.A N LYS 166.A O no hydrogen 2.677 N/A LYS 176.A N GLY 174.A O no hydrogen 2.696 N/A LYS 176.A NZ VAL 172.A O no hydrogen 2.929 N/A LYS 176.A NZ GLY 174.A O no hydrogen 3.548 N/A VAL 179.A N THR 50.A O no hydrogen 3.126 N/A LYS 189.A N GLY 186.A O no hydrogen 2.797 N/A LYS 189.A NZ THR 27.A O no hydrogen 2.574 N/A LYS 189.A NZ THR 27.A OG1 no hydrogen 3.162 N/A LYS 189.A NZ GLU 192.A OE1 no hydrogen 3.004 N/A LYS 189.A NZ GLU 192.A OE2 no hydrogen 3.042 N/A GLY 190.A N GLY 186.A O no hydrogen 2.803 N/A LEU 191.A N ARG 187.A O no hydrogen 2.588 N/A GLU 192.A N GLU 188.A O no hydrogen 3.010 N/A ILE 193.A N LYS 189.A O no hydrogen 2.672 N/A LEU 194.A N GLY 190.A O no hydrogen 3.094 N/A SER 195.A N LEU 191.A O no hydrogen 2.629 N/A SER 195.A OG MET 200.A O no hydrogen 3.133 N/A LEU 196.A N GLU 192.A O no hydrogen 2.767 N/A PHE 197.A N LEU 194.A O no hydrogen 2.707 N/A VAL 198.A N LEU 194.A O no hydrogen 2.959 N/A MET 200.A N SER 195.A O no hydrogen 3.172 N/A ALA 209.A N PRO 206.A O no hydrogen 3.244 N/A ILE 212.A N GLU 208.A O no hydrogen 2.572 N/A ILE 213.A N ALA 209.A O no hydrogen 3.093 N/A LYS 214.A N HIS 210.A O no hydrogen 3.439 N/A GLU 215.A N SER 211.A O no hydrogen 3.076 N/A GLU 215.A N ILE 212.A O no hydrogen 2.599 N/A CYS 216.A N ILE 212.A O no hydrogen 2.853 N/A CYS 216.A SG ILE 212.A O no hydrogen 3.437 N/A SER 219.A OG GLY 56.A O no hydrogen 3.083 N/A VAL 222.A N SER 219.A OG no hydrogen 3.412 N/A VAL 223.A N SER 219.A O no hydrogen 3.001 N/A SER 224.A N PRO 220.A O no hydrogen 2.933 N/A LEU 225.A N LEU 221.A O no hydrogen 2.914 N/A ILE 226.A N VAL 222.A O no hydrogen 2.915 N/A GLY 227.A N VAL 223.A O no hydrogen 2.551 N/A ALA 228.A N SER 224.A O no hydrogen 2.791 N/A ALA 228.A N LEU 225.A O no hydrogen 2.866 N/A LEU 229.A N LEU 225.A O no hydrogen 2.944 N/A LEU 229.A N ILE 226.A O no hydrogen 2.565 N/A LEU 230.A N ILE 226.A O no hydrogen 2.692 N/A ARG 231.A NH2 ASN 319.A O no hydrogen 3.219 N/A ASP 232.A N LEU 229.A O no hydrogen 3.017 N/A TYR 240.A N ARG 236.A O no hydrogen 2.710 N/A ARG 242.A N ALA 238.A O no hydrogen 3.310 N/A ARG 242.A N TYR 239.A O no hydrogen 3.179 N/A GLN 243.A N TYR 239.A O no hydrogen 3.283 N/A LEU 244.A N TYR 240.A O no hydrogen 2.840 N/A GLN 245.A N LEU 241.A O no hydrogen 2.842 N/A ASN 246.A N ARG 242.A O no hydrogen 3.363 N/A LYS 247.A NZ GLU 215.A OE1 no hydrogen 3.054 N/A LYS 247.A NZ LEU 244.A O no hydrogen 2.570 N/A LYS 247.A NZ GLN 245.A O no hydrogen 3.404 N/A ARG 251.A NE ASP 264.A OD1 no hydrogen 2.857 N/A ARG 251.A NH2 ASP 264.A OD1 no hydrogen 2.970 N/A ARG 251.A NH2 ASP 264.A OD2 no hydrogen 3.520 N/A ARG 251.A NH2 ASP 342.A O no hydrogen 3.556 N/A ASP 264.A N TYR 260.A O no hydrogen 2.848 N/A GLU 265.A N GLU 261.A O no hydrogen 3.322 N/A ALA 266.A N ALA 262.A O no hydrogen 3.171 N/A MET 267.A N LEU 263.A O no hydrogen 2.885 N/A SER 268.A N ASP 264.A O no hydrogen 2.721 N/A ILE 269.A N GLU 265.A O no hydrogen 2.978 N/A SER 270.A N ALA 266.A O no hydrogen 3.172 N/A VAL 271.A N MET 267.A O no hydrogen 2.901 N/A GLU 272.A N SER 268.A O no hydrogen 3.222 N/A MET 273.A N ILE 269.A O no hydrogen 2.939 N/A MET 273.A N SER 270.A O no hydrogen 2.899 N/A LEU 274.A N VAL 271.A O no hydrogen 2.825 N/A ARG 275.A NE ASP 277.A OD1 no hydrogen 3.393 N/A ARG 275.A NH1 GLU 316.A OE1 no hydrogen 3.309 N/A ARG 275.A NH2 GLU 316.A OE1 no hydrogen 2.768 N/A ARG 275.A NH2 GLU 316.A OE2 no hydrogen 3.071 N/A ASP 277.A N ARG 275.A O no hydrogen 2.853 N/A ILE 278.A N ARG 275.A O no hydrogen 3.317 N/A LYS 279.A NZ GLU 272.A O no hydrogen 3.158 N/A LYS 279.A NZ GLU 272.A OE1 no hydrogen 2.501 N/A LYS 279.A NZ GLU 276.A OE2 no hydrogen 3.334 N/A TYR 282.A N ILE 278.A O no hydrogen 3.218 N/A TYR 282.A OH LEU 322.A O no hydrogen 2.629 N/A THR 283.A OG1 LYS 279.A O no hydrogen 3.044 N/A ASP 284.A N ASP 280.A O no hydrogen 3.382 N/A ASP 284.A N TYR 281.A O no hydrogen 2.842 N/A LEU 285.A N TYR 282.A O no hydrogen 3.234 N/A SER 286.A N THR 283.A O no hydrogen 3.028 N/A SER 286.A OG THR 283.A O no hydrogen 2.507 N/A SER 286.A OG ASN 348.A OD1 no hydrogen 3.478 N/A ILE 287.A N ASP 284.A O no hydrogen 3.135 N/A LYS 290.A NZ ASP 342.A OD1 no hydrogen 3.493 N/A VAL 294.A N TYR 334.A O no hydrogen 2.947 N/A THR 296.A N PHE 332.A O no hydrogen 2.726 N/A THR 296.A OG1 PHE 332.A O no hydrogen 2.505 N/A VAL 298.A N PRO 295.A O no hydrogen 2.626 N/A LEU 299.A N THR 296.A O no hydrogen 3.253 N/A CYS 300.A N THR 296.A O no hydrogen 3.373 N/A CYS 300.A SG THR 296.A O no hydrogen 3.517 N/A VAL 301.A N LYS 297.A O no hydrogen 3.136 N/A TRP 303.A N LEU 299.A O no hydrogen 2.754 N/A TRP 303.A NE1 ASP 284.A OD2 no hydrogen 2.807 N/A LEU 305.A N CYS 300.A O no hydrogen 3.203 N/A THR 307.A OG1 GLU 306.A OE1 no hydrogen 3.239 N/A VAL 310.A N GLU 306.A O no hydrogen 3.355 N/A GLU 311.A N THR 307.A O no hydrogen 2.728 N/A ASP 312.A N GLU 308.A O no hydrogen 2.735 N/A ILE 313.A N GLU 309.A O no hydrogen 2.936 N/A LEU 314.A N VAL 310.A O no hydrogen 3.409 N/A GLN 315.A N GLU 311.A O no hydrogen 2.877 N/A GLU 316.A N ASP 312.A O no hydrogen 3.212 N/A PHE 317.A N LEU 314.A O no hydrogen 3.031 N/A VAL 318.A N LEU 314.A O no hydrogen 3.022 N/A ASN 319.A N GLN 315.A O no hydrogen 2.812 N/A LYS 320.A N GLU 316.A O no hydrogen 3.307 N/A LYS 320.A NZ ASP 232.A OD2 no hydrogen 2.893 N/A SER 321.A N VAL 318.A O no hydrogen 3.123 N/A LEU 322.A N PHE 317.A O no hydrogen 2.869 N/A PHE 324.A N TYR 335.A O no hydrogen 2.969 N/A ASN 326.A N CYS 333.A O no hydrogen 3.435 N/A LYS 330.A NZ LYS 330.A O no hydrogen 2.819 N/A SER 331.A OG GLU 377.A OE2 no hydrogen 2.570 N/A CYS 333.A SG ASN 326.A OD1 no hydrogen 3.634 N/A TYR 334.A N VAL 294.A O no hydrogen 2.577 N/A TYR 335.A N PHE 324.A O no hydrogen 2.804 N/A LEU 339.A N HIS 337.A ND1 no hydrogen 2.988 N/A VAL 341.A N HIS 337.A O no hydrogen 3.221 N/A VAL 341.A N ASP 338.A O no hydrogen 2.644 N/A ASP 342.A N ASP 338.A O no hydrogen 3.145 N/A PHE 343.A N LEU 339.A O no hydrogen 2.829 N/A LEU 344.A N GLN 340.A O no hydrogen 3.085 N/A THR 345.A N VAL 341.A O no hydrogen 2.789 N/A THR 345.A OG1 VAL 341.A O no hydrogen 3.177 N/A GLU 346.A N ASP 342.A O no hydrogen 3.191 N/A GLU 346.A N PHE 343.A O no hydrogen 2.713 N/A LYS 347.A N PHE 343.A O no hydrogen 2.796 N/A ASN 348.A N LEU 344.A O no hydrogen 2.973 N/A ARG 349.A N GLU 346.A O no hydrogen 3.131 N/A ARG 349.A NH1 GLU 346.A OE1 no hydrogen 3.040 N/A GLN 351.A N ASN 348.A O no hydrogen 3.210 N/A LEU 352.A N ARG 349.A O no hydrogen 3.003 N/A ASP 354.A N GLN 351.A O no hydrogen 3.092 N/A LEU 355.A N GLN 351.A O no hydrogen 3.285 N/A HIS 356.A N LEU 352.A O no hydrogen 3.248 N/A HIS 356.A ND1 HIS 389.A ND1 no hydrogen 2.830 N/A ARG 357.A N ASP 354.A O no hydrogen 2.845 N/A LYS 358.A N ASP 354.A O no hydrogen 2.725 N/A LYS 358.A NZ ASP 284.A OD1 no hydrogen 3.113 N/A LYS 358.A NZ ASP 284.A OD2 no hydrogen 2.503 N/A MET 359.A N LEU 355.A O no hydrogen 3.015 N/A THR 361.A N MET 359.A O no hydrogen 2.474 N/A THR 361.A OG1 ARG 357.A O no hydrogen 2.565 N/A GLN 362.A N LYS 358.A O no hydrogen 3.282 N/A PHE 363.A N VAL 360.A O no hydrogen 2.943 N/A GLN 364.A N THR 361.A O no hydrogen 3.156 N/A TYR 366.A OH ASP 304.A OD1 no hydrogen 2.694 N/A TYR 367.A N PHE 363.A O no hydrogen 2.952 N/A HIS 370.A N HIS 370.A ND1 no hydrogen 2.927 N/A ASP 375.A N SER 373.A O no hydrogen 2.668 N/A GLN 376.A N SER 373.A O no hydrogen 3.284 N/A GLN 376.A NE2 ASP 378.A OD1 no hydrogen 3.165 N/A CYS 379.A N GLN 376.A O no hydrogen 2.622 N/A TYR 381.A OH HIS 389.A NE2 no hydrogen 2.339 N/A TRP 382.A N ASP 378.A O no hydrogen 3.304 N/A TRP 382.A NE1 ASP 378.A OD2 no hydrogen 2.767 N/A ASN 384.A N MET 380.A O no hydrogen 3.409 N/A ASN 384.A N ASN 384.A OD1 no hydrogen 2.504 N/A PHE 385.A N TRP 382.A O no hydrogen 3.016 N/A LEU 386.A N TRP 382.A O no hydrogen 2.565 N/A TYR 388.A N PHE 385.A O no hydrogen 2.677 N/A HIS 389.A N PHE 385.A O no hydrogen 2.833 N/A HIS 389.A ND1 HIS 356.A ND1 no hydrogen 2.830 N/A HIS 389.A NE2 TYR 381.A OH no hydrogen 2.339 N/A MET 390.A N LEU 386.A O no hydrogen 3.309 N/A SER 392.A N TYR 388.A O no hydrogen 2.624 N/A ALA 393.A N MET 390.A O no hydrogen 3.085 N/A ASN 394.A N ALA 391.A O no hydrogen 2.547 N/A HIS 396.A ND1 ILE 431.A O no hydrogen 3.360 N/A LEU 399.A N MET 395.A O no hydrogen 2.844 N/A CYS 400.A N HIS 396.A O no hydrogen 3.000 N/A CYS 400.A SG HIS 396.A O no hydrogen 3.243 N/A CYS 400.A SG LEU 432.A O no hydrogen 3.654 N/A ALA 401.A N LYS 397.A O no hydrogen 3.077 N/A LEU 402.A N LEU 399.A O no hydrogen 2.643 N/A MET 403.A N LEU 399.A O no hydrogen 3.076 N/A LEU 406.A N GLN 478.A OE1 no hydrogen 2.851 N/A TRP 408.A N SER 405.A OG no hydrogen 2.913 N/A ILE 409.A N SER 405.A O no hydrogen 3.243 N/A LYS 410.A N LEU 406.A O no hydrogen 2.950 N/A ALA 411.A N ASP 407.A O no hydrogen 2.790 N/A LYS 412.A N TRP 408.A O no hydrogen 2.693 N/A LYS 412.A NZ TYR 383.A O no hydrogen 3.447 N/A LYS 412.A NZ HIS 420.A ND1 no hydrogen 3.091 N/A LYS 412.A NZ GLU 424.A OE1 no hydrogen 2.768 N/A THR 413.A N ILE 409.A O no hydrogen 3.010 N/A THR 413.A OG1 ILE 409.A O no hydrogen 2.514 N/A THR 413.A OG1 LYS 410.A O no hydrogen 2.838 N/A GLU 414.A N LYS 410.A O no hydrogen 2.985 N/A LEU 415.A N LYS 412.A O no hydrogen 2.708 N/A VAL 416.A N LYS 412.A O no hydrogen 2.927 N/A GLY 417.A N THR 413.A O no hydrogen 2.750 N/A ILE 422.A N PRO 418.A O no hydrogen 2.981 N/A GLU 424.A N HIS 420.A O no hydrogen 3.030 N/A PHE 425.A N LEU 421.A O no hydrogen 3.170 N/A VAL 426.A N HIS 423.A O no hydrogen 2.735 N/A ALA 427.A N HIS 423.A O no hydrogen 2.897 N/A TYR 428.A N GLU 424.A O no hydrogen 2.719 N/A ARG 429.A N VAL 426.A O no hydrogen 3.399 N/A ARG 429.A NH2 GLN 444.A OE1 no hydrogen 2.735 N/A HIS 430.A ND1 ALA 427.A O no hydrogen 2.961 N/A LEU 432.A N TYR 428.A O no hydrogen 2.930 N/A CYS 437.A SG ASP 433.A OD1 no hydrogen 3.576 N/A CYS 437.A SG GLU 434.A O no hydrogen 3.725 N/A CYS 440.A SG GLN 444.A OE1 no hydrogen 4.023 N/A ASN 442.A N ALA 438.A O no hydrogen 3.419 N/A GLN 444.A N CYS 440.A O no hydrogen 2.532 N/A GLU 445.A N GLU 441.A O no hydrogen 2.255 N/A PHE 446.A N ASN 442.A O no hydrogen 2.683 N/A LEU 447.A N PHE 443.A O no hydrogen 2.975 N/A SER 448.A N GLU 445.A O no hydrogen 3.168 N/A LEU 449.A N GLU 445.A O no hydrogen 3.282 N/A ASN 450.A ND2 LEU 465.A O no hydrogen 3.698 N/A GLY 451.A N SER 448.A O no hydrogen 3.195 N/A LEU 453.A N ASN 450.A O no hydrogen 3.228 N/A LEU 454.A N ASN 450.A O no hydrogen 3.368 N/A ARG 456.A N LEU 453.A O no hydrogen 2.942 N/A ARG 456.A NH1 GLU 121.A OE2 no hydrogen 3.004 N/A GLN 464.A NE2 LEU 494.A O no hydrogen 2.741 N/A LEU 465.A N ASN 461.A O no hydrogen 3.417 N/A GLY 466.A N VAL 463.A O no hydrogen 2.860 N/A LEU 467.A N VAL 463.A O no hydrogen 2.842 N/A CYS 468.A N GLN 464.A O no hydrogen 2.996 N/A CYS 468.A SG GLN 464.A O no hydrogen 3.467 N/A GLU 469.A N GLY 466.A O no hydrogen 2.709 N/A SER 473.A N PRO 470.A O no hydrogen 3.288 N/A VAL 475.A N SER 473.A OG no hydrogen 3.049 N/A TYR 476.A N SER 473.A O no hydrogen 2.914 N/A ARG 477.A N SER 473.A O no hydrogen 3.205 N/A GLN 478.A N GLU 474.A O no hydrogen 2.854 N/A GLN 478.A NE2 PHE 404.A O no hydrogen 2.501 N/A GLN 478.A NE2 GLU 474.A OE1 no hydrogen 2.725 N/A ALA 479.A N VAL 475.A O no hydrogen 3.228 N/A ALA 479.A N TYR 476.A O no hydrogen 2.583 N/A LYS 480.A N TYR 476.A O no hydrogen 2.615 N/A LYS 480.A NZ TYR 476.A OH no hydrogen 3.039 N/A LEU 481.A N ARG 477.A O no hydrogen 3.190 N/A GLN 482.A N GLN 478.A O no hydrogen 3.253 N/A ALA 483.A N ALA 479.A O no hydrogen 3.326 N/A LYS 484.A N LYS 480.A O no hydrogen 2.939 N/A THR 489.A OG1 GLU 486.A O no hydrogen 2.778 N/A THR 489.A OG1 GLU 486.A OE1 no hydrogen 3.058 N/A LEU 494.A N GLN 464.A OE1 no hydrogen 3.348 N/A ILE 497.A N ILE 1128.A O no hydrogen 3.189 N/A ASN 498.A ND2 LEU 1126.A O no hydrogen 2.403 N/A LYS 499.A N TRP 496.A O no hydrogen 3.132 N/A LYS 499.A NZ LEU 467.A O no hydrogen 2.998 N/A LYS 499.A NZ GLU 471.A OE2 no hydrogen 3.365 N/A LYS 499.A NZ TRP 496.A O no hydrogen 3.509 N/A THR 501.A OG1 ASN 498.A O no hydrogen 2.657 N/A ILE 502.A N ASN 498.A O no hydrogen 3.507 N/A ASN 504.A ND2 ASP 768.A O no hydrogen 3.651 N/A ARG 507.A NH1 ALA 543.A O no hydrogen 3.166 N/A VAL 510.A N ILE 797.A O no hydrogen 2.732 N/A HIS 513.A ND1 ASP 535.A OD1 no hydrogen 2.524 N/A HIS 513.A NE2 SER 531.A OG no hydrogen 2.943 N/A ALA 516.A N ASP 515.A OD2 no hydrogen 2.857 N/A VAL 517.A N SER 792.A O no hydrogen 3.055 N/A TYR 518.A N CYS 532.A O no hydrogen 3.223 N/A CYS 521.A N ALA 530.A O no hydrogen 3.124 N/A CYS 521.A SG CYS 562.A O no hydrogen 3.252 N/A SER 523.A N ARG 528.A O no hydrogen 2.859 N/A SER 523.A OG ASP 525.A OD1 no hydrogen 2.942 N/A SER 523.A OG ARG 528.A O no hydrogen 3.511 N/A GLN 524.A N ASP 568.A OD1 no hydrogen 2.858 N/A ASP 525.A N ASP 568.A OD2 no hydrogen 3.097 N/A GLY 526.A N SER 523.A O no hydrogen 2.564 N/A GLN 527.A N ASP 525.A OD1 no hydrogen 2.462 N/A ARG 528.A N SER 523.A OG no hydrogen 2.962 N/A ILE 529.A N PHE 541.A O no hydrogen 3.180 N/A ALA 530.A N CYS 521.A O no hydrogen 3.051 N/A SER 531.A N GLN 539.A O no hydrogen 3.050 N/A SER 531.A OG HIS 513.A NE2 no hydrogen 2.943 N/A CYS 532.A SG VAL 559.A O no hydrogen 3.835 N/A ALA 534.A N ALA 516.A O no hydrogen 3.112 N/A THR 537.A N ASP 535.A OD2 no hydrogen 3.093 N/A THR 537.A OG1 ASP 535.A OD1 no hydrogen 2.982 N/A THR 537.A OG1 LEU 538.A O no hydrogen 2.984 N/A LEU 538.A N ILE 552.A O no hydrogen 2.953 N/A VAL 540.A N LEU 550.A O no hydrogen 3.009 N/A PHE 541.A N ILE 529.A O no hydrogen 3.237 N/A LYS 542.A N GLU 547.A O no hydrogen 3.259 N/A ALA 543.A N GLN 527.A O no hydrogen 2.388 N/A GLY 546.A N LYS 542.A O no hydrogen 3.108 N/A LEU 549.A N VAL 540.A O no hydrogen 2.733 N/A LEU 550.A N VAL 540.A O no hydrogen 3.022 N/A HIS 555.A N LYS 536.A O no hydrogen 3.312 N/A VAL 559.A N GLY 533.A O no hydrogen 2.847 N/A CYS 561.A SG CYS 562.A O no hydrogen 3.869 N/A CYS 561.A SG CYS 604.A O no hydrogen 3.860 N/A ALA 563.A N ALA 572.A O no hydrogen 3.105 N/A SER 565.A N TYR 570.A O no hydrogen 2.594 N/A SER 565.A OG ASP 567.A OD1 no hydrogen 2.963 N/A SER 566.A OG LYS 609.A O no hydrogen 3.547 N/A ASP 567.A N SER 565.A OG no hydrogen 3.374 N/A ASP 568.A N SER 565.A O no hydrogen 3.363 N/A SER 569.A N ASP 567.A OD1 no hydrogen 3.106 N/A TYR 570.A N SER 565.A OG no hydrogen 3.051 N/A ILE 571.A N TRP 583.A O no hydrogen 3.149 N/A ALA 572.A N ALA 563.A O no hydrogen 2.930 N/A THR 573.A N LYS 581.A O no hydrogen 2.659 N/A CYS 574.A N CYS 561.A O no hydrogen 3.244 N/A CYS 574.A SG ASN 602.A O no hydrogen 3.393 N/A SER 575.A N LYS 579.A O no hydrogen 3.205 N/A SER 575.A OG ASP 577.A OD1 no hydrogen 2.530 N/A ALA 576.A N GLU 558.A O no hydrogen 3.260 N/A ASP 577.A N SER 575.A OG no hydrogen 3.005 N/A LYS 578.A N SER 575.A O no hydrogen 3.226 N/A LYS 579.A N ASP 577.A OD1 no hydrogen 2.885 N/A VAL 580.A N TYR 594.A O no hydrogen 3.069 N/A LYS 581.A N THR 573.A O no hydrogen 2.632 N/A LYS 581.A NZ ALA 554.A O no hydrogen 3.031 N/A ILE 582.A N HIS 592.A O no hydrogen 2.987 N/A TRP 583.A N ILE 571.A O no hydrogen 2.623 N/A TRP 583.A NE1 THR 573.A OG1 no hydrogen 2.863 N/A ASP 584.A N LYS 589.A O no hydrogen 3.207 N/A SER 585.A N SER 569.A O no hydrogen 2.879 N/A SER 585.A OG ASP 568.A O no hydrogen 2.828 N/A ALA 586.A N ASP 584.A OD1 no hydrogen 2.721 N/A GLY 588.A N ASP 584.A O no hydrogen 2.597 N/A LYS 589.A N THR 587.A OG1 no hydrogen 2.700 N/A VAL 591.A N ILE 582.A O no hydrogen 3.004 N/A TYR 594.A N VAL 580.A O no hydrogen 2.772 N/A HIS 597.A ND1 ASP 621.A OD2 no hydrogen 3.140 N/A HIS 597.A NE2 THR 617.A OG1 no hydrogen 2.957 N/A VAL 601.A N SER 575.A O no hydrogen 3.039 N/A ASN 602.A N GLY 618.A O no hydrogen 2.945 N/A ASN 602.A ND2 ASN 620.A OD1 no hydrogen 3.493 N/A CYS 603.A SG CYS 648.A O no hydrogen 2.885 N/A CYS 604.A SG ASN 602.A O no hydrogen 3.916 N/A HIS 605.A N ALA 616.A O no hydrogen 2.966 N/A THR 607.A N LEU 614.A O no hydrogen 3.067 N/A THR 607.A OG1 HIS 612.A O no hydrogen 2.773 N/A ASN 608.A N ASP 654.A OD1 no hydrogen 3.003 N/A LYS 609.A N ASP 654.A OD2 no hydrogen 2.579 N/A LEU 614.A N THR 607.A OG1 no hydrogen 3.360 N/A LEU 615.A N TRP 627.A O no hydrogen 2.915 N/A ALA 616.A N HIS 605.A O no hydrogen 2.873 N/A THR 617.A N LYS 625.A O no hydrogen 2.900 N/A THR 617.A OG1 HIS 597.A NE2 no hydrogen 2.957 N/A THR 617.A OG1 LYS 625.A O no hydrogen 3.564 N/A GLY 618.A N CYS 603.A O no hydrogen 2.897 N/A SER 619.A OG GLU 599.A O no hydrogen 3.187 N/A SER 619.A OG GLN 600.A O no hydrogen 2.453 N/A ASN 620.A N GLN 600.A O no hydrogen 3.260 N/A ASP 621.A N SER 619.A OG no hydrogen 3.146 N/A PHE 623.A N ASP 621.A OD1 no hydrogen 2.843 N/A LYS 625.A N THR 617.A O no hydrogen 2.968 N/A LYS 625.A NZ GLU 596.A OE2 no hydrogen 2.643 N/A LYS 625.A NZ THR 637.A OG1 no hydrogen 3.172 N/A LEU 626.A N ASN 636.A O no hydrogen 3.417 N/A TRP 627.A N LEU 615.A O no hydrogen 2.529 N/A TRP 627.A NE1 THR 617.A OG1 no hydrogen 2.911 N/A ASN 630.A N ASP 628.A OD1 no hydrogen 3.111 N/A ASN 630.A ND2 ASP 628.A OD1 no hydrogen 3.139 N/A CYS 634.A SG ASN 636.A O no hydrogen 2.705 N/A ARG 635.A N LEU 626.A O no hydrogen 2.771 N/A MET 638.A N LEU 624.A O no hydrogen 2.777 N/A HIS 641.A NE2 SER 659.A OG no hydrogen 2.713 N/A THR 642.A N ASP 663.A OD2 no hydrogen 3.127 N/A VAL 645.A N SER 619.A O no hydrogen 2.798 N/A ASN 646.A N CYS 660.A O no hydrogen 2.859 N/A HIS 647.A N CYS 660.A O no hydrogen 3.274 N/A CYS 648.A SG ALA 616.A O no hydrogen 3.827 N/A CYS 648.A SG CYS 648.A O no hydrogen 2.819 N/A ARG 649.A NH1 ASP 738.A OD1 no hydrogen 3.474 N/A PHE 650.A N HIS 605.A ND1 no hydrogen 3.178 N/A SER 651.A N LEU 656.A O no hydrogen 2.798 N/A SER 651.A OG ASP 653.A O no hydrogen 2.822 N/A GLU 655.A N ASP 653.A O no hydrogen 2.446 N/A LEU 657.A N TRP 669.A O no hydrogen 2.876 N/A ALA 658.A N ARG 649.A O no hydrogen 2.980 N/A SER 659.A OG HIS 641.A NE2 no hydrogen 2.713 N/A CYS 660.A N HIS 647.A O no hydrogen 3.081 N/A SER 661.A N THR 665.A O no hydrogen 3.340 N/A SER 661.A OG SER 644.A O no hydrogen 2.931 N/A SER 661.A OG ASP 663.A OD2 no hydrogen 2.596 N/A ALA 662.A N SER 644.A O no hydrogen 2.977 N/A ASP 663.A N SER 661.A OG no hydrogen 2.825 N/A THR 665.A OG1 ASP 663.A OD1 no hydrogen 2.306 N/A LEU 666.A N ILE 680.A O no hydrogen 3.043 N/A ARG 667.A N SER 659.A O no hydrogen 2.642 N/A ARG 667.A NE HIS 641.A ND1 no hydrogen 3.053 N/A ARG 667.A NE THR 665.A OG1 no hydrogen 3.019 N/A ARG 667.A NH1 GLU 676.A OE2 no hydrogen 2.590 N/A LEU 668.A N LYS 678.A O no hydrogen 3.231 N/A TRP 669.A N LEU 657.A O no hydrogen 2.802 N/A ASP 670.A N ASN 675.A O no hydrogen 3.232 N/A VAL 671.A N GLU 655.A O no hydrogen 3.009 N/A SER 673.A OG ASP 670.A OD1 no hydrogen 3.042 N/A SER 673.A OG ASN 675.A OD1 no hydrogen 3.011 N/A ALA 674.A N ASP 670.A O no hydrogen 2.539 N/A ARG 677.A N LEU 668.A O no hydrogen 2.842 N/A LYS 678.A NZ HIS 718.A O no hydrogen 3.095 N/A LYS 678.A NZ SER 720.A OG no hydrogen 2.884 N/A ILE 680.A N LEU 666.A O no hydrogen 2.768 N/A VAL 682.A N GLY 664.A O no hydrogen 3.052 N/A VAL 692.A N SER 661.A O no hydrogen 3.164 N/A LYS 693.A N ALA 707.A O no hydrogen 2.936 N/A CYS 695.A N HIS 647.A ND1 no hydrogen 3.098 N/A CYS 695.A SG HIS 647.A ND1 no hydrogen 3.357 N/A TRP 697.A NE1 ARG 649.A O no hydrogen 3.029 N/A SER 698.A N LYS 703.A O no hydrogen 3.060 N/A SER 698.A OG ASP 700.A OD2 no hydrogen 2.667 N/A SER 698.A OG LYS 703.A O no hydrogen 3.333 N/A GLY 701.A N SER 698.A O no hydrogen 2.547 N/A LYS 703.A NZ ASP 700.A OD1 no hydrogen 2.972 N/A ILE 704.A N PHE 715.A O no hydrogen 3.015 N/A ILE 705.A N SER 696.A O no hydrogen 2.973 N/A VAL 706.A N LEU 713.A O no hydrogen 2.970 N/A ALA 707.A N CYS 694.A O no hydrogen 3.219 N/A ALA 708.A N LYS 711.A O no hydrogen 3.122 N/A ASN 710.A ND2 SER 732.A O no hydrogen 3.256 N/A LYS 711.A N ALA 708.A O no hydrogen 2.859 N/A LYS 711.A NZ ARG 684.A O no hydrogen 3.188 N/A LYS 711.A NZ GLU 725.A OE1 no hydrogen 3.000 N/A VAL 712.A N ILE 726.A O no hydrogen 3.123 N/A LEU 713.A N VAL 706.A O no hydrogen 2.852 N/A LEU 714.A N ALA 724.A O no hydrogen 3.126 N/A PHE 715.A N ILE 704.A O no hydrogen 2.773 N/A ASP 716.A N GLY 721.A O no hydrogen 2.845 N/A HIS 718.A N ASP 716.A OD2 no hydrogen 2.831 N/A THR 719.A OG1 ASP 716.A OD1 no hydrogen 3.397 N/A SER 720.A N ASP 716.A O no hydrogen 2.901 N/A SER 720.A OG HIS 718.A O no hydrogen 2.929 N/A GLY 721.A N THR 719.A OG1 no hydrogen 2.863 N/A LEU 723.A N LEU 714.A O no hydrogen 2.639 N/A ILE 726.A N VAL 712.A O no hydrogen 3.384 N/A THR 728.A N ASN 710.A O no hydrogen 3.048 N/A GLY 729.A N THR 728.A OG1 no hydrogen 2.678 N/A SER 732.A N ASN 710.A OD1 no hydrogen 2.786 N/A SER 732.A OG ASN 710.A OD1 no hydrogen 2.930 N/A SER 732.A OG GLY 729.A O no hydrogen 3.316 N/A THR 733.A OG1 SER 732.A O no hydrogen 2.534 N/A ILE 734.A N LYS 709.A O no hydrogen 2.873 N/A GLN 735.A N ALA 749.A O no hydrogen 2.841 N/A GLN 735.A NE2 VAL 776.A O no hydrogen 3.580 N/A TYR 736.A OH HIS 647.A NE2 no hydrogen 3.375 N/A PHE 739.A N SER 696.A OG no hydrogen 3.059 N/A SER 740.A N LEU 745.A O no hydrogen 2.642 N/A SER 740.A OG TYR 742.A O no hydrogen 3.382 N/A ALA 746.A N TRP 758.A O no hydrogen 3.057 N/A VAL 747.A N ASP 738.A O no hydrogen 3.270 N/A ILE 748.A N GLU 756.A O no hydrogen 3.098 N/A ALA 749.A N TYR 736.A O no hydrogen 2.824 N/A LEU 750.A N CYS 754.A O no hydrogen 3.065 N/A SER 751.A OG THR 733.A O no hydrogen 3.402 N/A CYS 754.A N GLN 752.A O no hydrogen 2.346 N/A CYS 754.A SG SER 751.A O no hydrogen 2.948 N/A CYS 754.A SG GLN 752.A O no hydrogen 2.755 N/A LEU 757.A N ALA 767.A O no hydrogen 3.277 N/A TRP 758.A N ALA 746.A O no hydrogen 3.181 N/A TRP 758.A NE1 GLU 756.A OE1 no hydrogen 2.940 N/A ASN 759.A N LEU 764.A O no hydrogen 3.309 N/A ILE 760.A N HIS 744.A O no hydrogen 3.255 N/A SER 762.A N ASN 759.A O no hydrogen 3.273 N/A SER 762.A OG ASN 759.A O no hydrogen 3.296 N/A ARG 763.A NH1 GLU 725.A O no hydrogen 2.981 N/A LYS 765.A NZ GLU 756.A OE2 no hydrogen 3.438 N/A LYS 765.A NZ ASP 768.A OD1 no hydrogen 2.516 N/A LYS 765.A NZ ASP 768.A OD2 no hydrogen 2.816 N/A VAL 766.A N LEU 757.A O no hydrogen 3.331 N/A HIS 772.A ND1 ASP 794.A OD1 no hydrogen 2.829 N/A HIS 772.A NE2 THR 790.A OG1 no hydrogen 2.638 N/A HIS 777.A N ALA 791.A O no hydrogen 2.705 N/A HIS 777.A NE2 ASP 793.A OD2 no hydrogen 3.053 N/A GLY 778.A N ALA 791.A O no hydrogen 3.097 N/A MET 780.A N LEU 789.A O no hydrogen 3.109 N/A PHE 781.A N ASP 738.A OD2 no hydrogen 2.930 N/A SER 782.A N SER 787.A O no hydrogen 2.660 N/A SER 782.A OG ASP 784.A OD1 no hydrogen 2.846 N/A SER 782.A OG SER 787.A O no hydrogen 3.066 N/A GLY 785.A N SER 782.A O no hydrogen 2.862 N/A GLY 785.A N SER 782.A OG no hydrogen 3.236 N/A SER 786.A N ASP 784.A OD2 no hydrogen 2.774 N/A SER 786.A OG ASP 784.A OD1 no hydrogen 3.055 N/A SER 787.A N SER 782.A OG no hydrogen 3.377 N/A PHE 788.A N TRP 800.A O no hydrogen 2.834 N/A LEU 789.A N MET 780.A O no hydrogen 3.013 N/A THR 790.A N ARG 798.A O no hydrogen 3.085 N/A THR 790.A OG1 HIS 772.A NE2 no hydrogen 2.638 N/A THR 790.A OG1 ARG 798.A O no hydrogen 3.446 N/A ALA 791.A N GLY 778.A O no hydrogen 3.041 N/A SER 792.A N THR 796.A O no hydrogen 3.450 N/A SER 792.A OG ASP 794.A OD2 no hydrogen 2.365 N/A ASP 793.A N TRP 775.A O no hydrogen 2.825 N/A GLN 795.A N SER 792.A O no hydrogen 3.030 N/A GLN 795.A NE2 THR 514.A O no hydrogen 2.500 N/A THR 796.A OG1 ASP 794.A OD1 no hydrogen 2.685 N/A THR 796.A OG1 ASP 794.A OD2 no hydrogen 2.595 N/A ILE 797.A N VAL 510.A O no hydrogen 2.827 N/A ARG 798.A N THR 790.A O no hydrogen 2.904 N/A ARG 798.A NH2 GLU 445.A OE2 no hydrogen 2.552 N/A ARG 798.A NH2 ASP 794.A OD1 no hydrogen 3.430 N/A VAL 799.A N LEU 508.A O no hydrogen 2.780 N/A TRP 800.A N PHE 788.A O no hydrogen 2.697 N/A TRP 800.A NE1 THR 790.A OG1 no hydrogen 3.053 N/A THR 802.A N SER 786.A O no hydrogen 2.813 N/A THR 802.A OG1 GLY 785.A O no hydrogen 3.083 N/A THR 802.A OG1 SER 786.A O no hydrogen 3.074 N/A LYS 803.A NZ GLU 801.A OE1 no hydrogen 3.428 N/A LYS 804.A NZ LEU 505.A O no hydrogen 3.038 N/A VAL 805.A N GLU 801.A O no hydrogen 3.250 N/A CYS 806.A N THR 802.A O no hydrogen 3.211 N/A CYS 806.A SG THR 802.A O no hydrogen 3.857 N/A ASN 808.A ND2 ASN 808.A O no hydrogen 2.712 N/A LEU 813.A N GLY 1124.A O no hydrogen 3.188 N/A LYS 814.A N VAL 831.A O no hydrogen 2.910 N/A ASP 818.A N LEU 829.A O no hydrogen 2.922 N/A VAL 820.A N MET 827.A O no hydrogen 2.739 N/A GLN 822.A N VAL 820.A O no hydrogen 2.823 N/A GLU 823.A N PHE 821.A O no hydrogen 2.841 N/A GLU 825.A N GLN 822.A O no hydrogen 3.344 N/A MET 827.A N VAL 820.A O no hydrogen 2.928 N/A VAL 828.A N ILE 840.A O no hydrogen 2.894 N/A LEU 829.A N ASP 818.A O no hydrogen 2.799 N/A ALA 830.A N GLN 838.A O no hydrogen 2.995 N/A VAL 831.A N GLU 816.A O no hydrogen 3.117 N/A ASP 832.A N GLY 836.A O no hydrogen 2.812 N/A ASN 833.A ND2 ASP 832.A OD2 no hydrogen 3.045 N/A ILE 834.A N ASP 832.A OD2 no hydrogen 2.447 N/A ARG 835.A N ASP 832.A OD2 no hydrogen 2.836 N/A GLY 836.A N TYR 849.A OH no hydrogen 2.468 N/A LEU 837.A N LEU 850.A O no hydrogen 3.083 N/A GLN 838.A N ALA 830.A O no hydrogen 2.765 N/A GLN 838.A NE2 ASP 832.A OD1 no hydrogen 3.468 N/A LEU 839.A N ASP 848.A O no hydrogen 2.991 N/A ILE 840.A N VAL 828.A O no hydrogen 2.821 N/A ALA 841.A N GLY 845.A O no hydrogen 3.465 N/A THR 844.A OG1 LYS 843.A O no hydrogen 2.234 N/A ASP 848.A N LEU 839.A O no hydrogen 3.424 N/A GLN 854.A N GLU 852.A O no hydrogen 2.492 N/A GLN 854.A NE2 ARG 835.A O no hydrogen 3.506 N/A SER 856.A N GLY 870.A O no hydrogen 3.337 N/A SER 856.A OG ASP 871.A O no hydrogen 3.176 N/A SER 856.A OG VAL 897.A O no hydrogen 2.646 N/A CYS 857.A SG VAL 897.A O no hydrogen 3.250 N/A CYS 857.A SG ARG 898.A O no hydrogen 3.195 N/A CYS 859.A SG ILE 900.A O no hydrogen 3.549 N/A LEU 860.A N ASP 818.A OD2 no hydrogen 2.609 N/A SER 861.A N TYR 866.A O no hydrogen 3.097 N/A SER 861.A OG LEU 864.A O no hydrogen 2.540 N/A SER 861.A OG GLU 865.A OE1 no hydrogen 3.086 N/A SER 861.A OG TYR 866.A O no hydrogen 2.314 N/A TYR 866.A N SER 861.A OG no hydrogen 3.001 N/A TYR 866.A N LEU 864.A O no hydrogen 2.552 N/A VAL 867.A N ILE 879.A O no hydrogen 2.729 N/A ALA 868.A N CYS 859.A O no hydrogen 2.759 N/A PHE 869.A N LYS 877.A O no hydrogen 3.210 N/A GLY 870.A N CYS 857.A O no hydrogen 3.013 N/A ASP 873.A N ASP 871.A OD1 no hydrogen 2.411 N/A GLY 874.A N ASP 871.A O no hydrogen 3.372 N/A LYS 877.A N PHE 869.A O no hydrogen 3.396 N/A ILE 878.A N SER 888.A O no hydrogen 2.907 N/A ILE 879.A N VAL 867.A O no hydrogen 2.799 N/A GLU 880.A N VAL 886.A O no hydrogen 3.520 N/A LEU 881.A N GLU 865.A O no hydrogen 2.489 N/A ASN 884.A N GLU 880.A O no hydrogen 2.524 N/A ARG 885.A NE ASN 883.A OD1 no hydrogen 3.526 N/A SER 888.A N ILE 878.A O no hydrogen 2.853 N/A VAL 891.A N TYR 928.A OH no hydrogen 3.193 N/A VAL 897.A N ASP 871.A O no hydrogen 3.149 N/A ARG 898.A N SER 912.A O no hydrogen 3.051 N/A ARG 898.A NH2 VAL 897.A O no hydrogen 3.541 N/A GLN 901.A N ILE 910.A O no hydrogen 2.784 N/A THR 903.A N THR 908.A O no hydrogen 3.042 N/A THR 903.A OG1 LYS 907.A O no hydrogen 3.315 N/A THR 903.A OG1 THR 908.A O no hydrogen 2.889 N/A LYS 907.A N ASP 905.A OD2 no hydrogen 3.341 N/A LEU 909.A N TRP 921.A O no hydrogen 2.597 N/A ILE 910.A N GLN 901.A O no hydrogen 2.764 N/A SER 911.A N GLN 919.A O no hydrogen 3.083 N/A SER 912.A N HIS 899.A O no hydrogen 3.082 N/A SER 912.A OG SER 913.A O no hydrogen 3.239 N/A VAL 917.A N ASP 915.A OD1 no hydrogen 3.397 N/A ILE 918.A N LEU 931.A O no hydrogen 3.505 N/A GLN 919.A N SER 911.A O no hydrogen 3.194 N/A VAL 920.A N VAL 929.A O no hydrogen 2.955 N/A TRP 921.A N LEU 909.A O no hydrogen 2.877 N/A ASN 922.A N ASP 927.A O no hydrogen 3.189 N/A ASN 922.A ND2 TRP 923.A O no hydrogen 3.661 N/A THR 925.A OG1 ASN 922.A O no hydrogen 2.621 N/A THR 925.A OG1 ASP 927.A OD2 no hydrogen 3.175 N/A GLY 926.A N ASN 922.A O no hydrogen 3.398 N/A ASP 927.A N THR 925.A OG1 no hydrogen 3.032 N/A VAL 929.A N VAL 920.A O no hydrogen 3.161 N/A LEU 931.A N ILE 918.A O no hydrogen 3.404 N/A GLN 935.A NE2 THR 957.A O no hydrogen 3.625 N/A GLN 935.A NE2 THR 957.A OG1 no hydrogen 2.695 N/A THR 937.A N SER 953.A OG no hydrogen 2.996 N/A THR 937.A OG1 GLU 914.A O no hydrogen 3.253 N/A THR 937.A OG1 GLU 936.A O no hydrogen 2.469 N/A THR 937.A OG1 GLU 936.A OE1 no hydrogen 3.312 N/A LYS 939.A N TRP 952.A O no hydrogen 2.791 N/A ARG 942.A N LEU 950.A O no hydrogen 3.128 N/A LEU 949.A N TRP 961.A O no hydrogen 2.918 N/A SER 951.A N LYS 959.A O no hydrogen 2.952 N/A SER 953.A N THR 957.A O no hydrogen 3.136 N/A SER 953.A OG ASP 955.A OD1 no hydrogen 3.007 N/A PHE 954.A N SER 953.A OG no hydrogen 2.430 N/A GLY 956.A N SER 953.A O no hydrogen 3.130 N/A VAL 958.A N PHE 972.A O no hydrogen 3.058 N/A LYS 959.A N SER 951.A O no hydrogen 2.680 N/A VAL 960.A N ARG 970.A O no hydrogen 3.156 N/A TRP 961.A N LEU 949.A O no hydrogen 3.274 N/A VAL 963.A N SER 947.A O no hydrogen 2.673 N/A THR 965.A OG1 ILE 964.A O no hydrogen 2.516 N/A GLU 969.A N VAL 960.A O no hydrogen 3.193 N/A PHE 972.A N VAL 958.A O no hydrogen 3.018 N/A CYS 974.A SG GLY 956.A O no hydrogen 3.344 N/A HIS 975.A NE2 THR 994.A OG1 no hydrogen 2.769 N/A VAL 979.A N SER 953.A O no hydrogen 3.304 N/A LEU 980.A N SER 995.A O no hydrogen 3.018 N/A SER 985.A N PHE 991.A O no hydrogen 3.461 N/A SER 985.A OG PHE 991.A O no hydrogen 3.306 N/A THR 989.A OG1 THR 989.A O no hydrogen 2.603 N/A SER 992.A OG SER 992.A O no hydrogen 2.449 N/A SER 993.A OG THR 994.A O no hydrogen 3.184 N/A SER 993.A OG LYS 1001.A O no hydrogen 2.553 N/A THR 994.A N LYS 1001.A O no hydrogen 3.041 N/A THR 994.A OG1 HIS 975.A NE2 no hydrogen 2.769 N/A THR 994.A OG1 LYS 1001.A O no hydrogen 2.974 N/A SER 995.A OG LEU 980.A O no hydrogen 2.547 N/A SER 995.A OG SER 981.A O no hydrogen 2.706 N/A ALA 996.A N THR 999.A O no hydrogen 3.065 N/A LYS 998.A NZ ASP 997.A O no hydrogen 2.556 N/A LEU 1014.A N ALA 1000.A O no hydrogen 3.056 N/A HIS 1017.A NE2 THR 1035.A OG1 no hydrogen 2.503 N/A ASN 1018.A N GLU 1041.A OE2 no hydrogen 3.239 N/A CYS 1020.A N ASP 1037.A OD1 no hydrogen 2.869 N/A CYS 1020.A SG CYS 1020.A O no hydrogen 2.785 N/A ARG 1022.A N GLY 1036.A O no hydrogen 2.935 N/A ARG 1022.A NE ASP 1038.A OD2 no hydrogen 3.549 N/A ARG 1022.A NH2 ASP 1038.A OD2 no hydrogen 3.294 N/A CYS 1023.A SG GLY 1036.A O no hydrogen 3.792 N/A CYS 1023.A SG VAL 1065.A O no hydrogen 3.124 N/A ALA 1025.A N ALA 1034.A O no hydrogen 3.090 N/A SER 1027.A N LEU 1032.A O no hydrogen 2.494 N/A SER 1027.A OG SER 1027.A O no hydrogen 2.488 N/A SER 1027.A OG LEU 1032.A O no hydrogen 3.034 N/A ILE 1031.A N ASP 1029.A O no hydrogen 2.131 N/A LEU 1032.A N SER 1027.A OG no hydrogen 2.623 N/A LEU 1033.A N TRP 1045.A O no hydrogen 2.849 N/A ALA 1034.A N ALA 1025.A O no hydrogen 3.145 N/A THR 1035.A N ARG 1043.A O no hydrogen 2.857 N/A THR 1035.A OG1 HIS 1017.A NE2 no hydrogen 2.503 N/A THR 1035.A OG1 ARG 1043.A O no hydrogen 3.434 N/A ASP 1037.A N GLU 1041.A O no hydrogen 2.706 N/A ASN 1039.A N ASP 1037.A OD2 no hydrogen 3.067 N/A ARG 1043.A NE GLU 1041.A OE1 no hydrogen 3.042 N/A ARG 1043.A NH2 GLU 1041.A OE1 no hydrogen 2.453 N/A ILE 1044.A N HIS 1054.A O no hydrogen 3.127 N/A TRP 1045.A N LEU 1033.A O no hydrogen 2.835 N/A TRP 1045.A NE1 THR 1035.A OG1 no hydrogen 2.964 N/A VAL 1047.A N ILE 1031.A O no hydrogen 2.437 N/A SER 1048.A N ASN 1046.A O no hydrogen 2.660 N/A GLY 1050.A N SER 1048.A O no hydrogen 2.560 N/A GLN 1051.A NE2 SER 1048.A O no hydrogen 3.025 N/A LEU 1053.A N ASN 1046.A OD1 no hydrogen 3.349 N/A ALA 1057.A N SER 1055.A O no hydrogen 2.651 N/A TRP 1064.A N ASP 1038.A O no hydrogen 2.932 N/A VAL 1065.A N ASP 1037.A O no hydrogen 3.260 N/A THR 1066.A OG1 LEU 1105.A O no hydrogen 3.085 N/A CYS 1069.A SG PHE 1070.A O no hydrogen 3.317 N/A SER 1071.A OG ASP 1073.A OD2 no hydrogen 2.919 N/A SER 1074.A N SER 1071.A O no hydrogen 2.914 N/A LYS 1075.A N ASP 1073.A OD1 no hydrogen 2.874 N/A VAL 1078.A N CYS 1069.A O no hydrogen 3.147 N/A SER 1079.A N LYS 1085.A O no hydrogen 3.047 N/A SER 1079.A OG LYS 1085.A O no hydrogen 3.326 N/A ALA 1080.A N ASP 1067.A O no hydrogen 3.170 N/A LYS 1085.A N SER 1079.A O no hydrogen 3.106 N/A ASN 1088.A N GLY 1092.A O no hydrogen 3.326 N/A ASN 1088.A ND2 THR 1091.A O no hydrogen 2.421 N/A VAL 1089.A N LYS 1075.A O no hydrogen 2.997 N/A SER 1095.A OG THR 1097.A OG1 no hydrogen 2.603 N/A THR 1097.A OG1 SER 1095.A O no hydrogen 2.682 N/A THR 1097.A OG1 SER 1095.A OG no hydrogen 2.603 N/A THR 1100.A OG1 GLY 1102.A O no hydrogen 2.677 N/A ASN 1101.A N TYR 1127.A OH no hydrogen 2.627 N/A GLY 1102.A N ASP 1121.A OD2 no hydrogen 3.067 N/A THR 1103.A N ASN 1122.A OD1 no hydrogen 2.609 N/A THR 1103.A OG1 ASN 1104.A OD1 no hydrogen 2.807 N/A LEU 1105.A N GLY 1081.A O no hydrogen 2.940 N/A LYS 1107.A NZ ASP 1067.A OD2 no hydrogen 2.829 N/A ILE 1108.A N ASP 1067.A OD1 no hydrogen 2.975 N/A HIS 1109.A N VAL 1118.A O no hydrogen 3.011 N/A SER 1111.A N THR 1116.A O no hydrogen 3.076 N/A SER 1111.A OG ASP 1113.A OD2 no hydrogen 2.784 N/A SER 1111.A OG THR 1116.A O no hydrogen 3.537 N/A ASP 1113.A N ASP 1113.A OD2 no hydrogen 2.447 N/A THR 1116.A OG1 ARG 1115.A O no hydrogen 2.452 N/A THR 1116.A OG1 GLN 1130.A OE1 no hydrogen 2.836 N/A TYR 1117.A N LEU 1129.A O no hydrogen 2.807 N/A TYR 1117.A OH PHE 1114.A O no hydrogen 3.091 N/A VAL 1118.A N HIS 1109.A O no hydrogen 3.057 N/A THR 1119.A N TYR 1127.A O no hydrogen 3.094 N/A ASP 1121.A N ILE 1125.A O no hydrogen 3.221 N/A ASN 1122.A N THR 1103.A O no hydrogen 3.205 N/A GLY 1124.A N ASP 1121.A O no hydrogen 2.526 N/A ILE 1125.A N ASP 1121.A OD1 no hydrogen 2.638 N/A TYR 1127.A N THR 1119.A O no hydrogen 2.966 N/A TYR 1127.A OH ASP 1121.A OD2 no hydrogen 2.963 N/A ILE 1128.A N ASN 498.A OD1 no hydrogen 2.915 N/A LEU 1132.A N TYR 493.A O no hydrogen 2.631 N/A