Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7r8g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PHE 334.A O no hydrogen 2.905 N/A GLU 4.A N PHE 672.A O no hydrogen 2.771 N/A THR 5.A N HIS 332.A O no hydrogen 2.948 N/A THR 5.A OG1 HIS 332.A O no hydrogen 3.075 N/A THR 6.A OG1 CYS 171.A O no hydrogen 2.935 N/A LEU 7.A N THR 5.A OG1 no hydrogen 2.751 N/A PHE 8.A N ILE 169.A O no hydrogen 2.711 N/A LEU 10.A N PHE 167.A O no hydrogen 3.330 N/A GLU 11.A N SER 326.A O no hydrogen 2.820 N/A THR 17.A OG1 LEU 97.A O no hydrogen 3.106 N/A ALA 18.A N LEU 97.A O no hydrogen 3.484 N/A SER 19.A OG SER 19.A O no hydrogen 2.516 N/A TYR 20.A OH PRO 54.A O no hydrogen 2.814 N/A GLN 21.A N VAL 68.A O no hydrogen 2.645 N/A TYR 23.A N ILE 66.A O no hydrogen 2.786 N/A LYS 26.A N LYS 87.A O no hydrogen 2.993 N/A LEU 31.A N SER 29.A O no hydrogen 2.496 N/A HIS 37.A N GLU 33.A O no hydrogen 3.496 N/A HIS 37.A ND1 GLU 33.A O no hydrogen 3.256 N/A LYS 38.A NZ GLU 35.A OE2 no hydrogen 3.538 N/A ASN 39.A N TYR 36.A O no hydrogen 3.015 N/A ASN 39.A ND2 GLU 35.A O no hydrogen 2.823 N/A VAL 40.A N TYR 36.A O no hydrogen 3.072 N/A ASN 41.A N HIS 37.A O no hydrogen 3.276 N/A LEU 42.A N LYS 38.A O no hydrogen 3.265 N/A LEU 43.A N ASN 39.A O no hydrogen 3.279 N/A VAL 44.A N VAL 40.A O no hydrogen 3.419 N/A ARG 45.A N ASN 41.A O no hydrogen 2.962 N/A ARG 46.A N LEU 42.A O no hydrogen 2.850 N/A LEU 47.A N LEU 43.A O no hydrogen 2.729 N/A SER 48.A N VAL 44.A O no hydrogen 3.114 N/A SER 48.A OG VAL 44.A O no hydrogen 2.707 N/A PHE 49.A N ARG 45.A O no hydrogen 3.167 N/A SER 50.A N ARG 46.A O no hydrogen 3.230 N/A MET 51.A N LEU 47.A O no hydrogen 3.063 N/A LYS 52.A NZ PHE 49.A O no hydrogen 3.071 N/A PHE 55.A N ALA 53.A O no hydrogen 3.005 N/A VAL 56.A N ALA 67.A O no hydrogen 3.427 N/A LEU 58.A N PHE 65.A O no hydrogen 3.062 N/A SER 59.A OG GLU 63.A O no hydrogen 2.710 N/A ALA 67.A N VAL 56.A O no hydrogen 2.768 N/A VAL 68.A N GLN 21.A O no hydrogen 3.284 N/A ASN 70.A N SER 19.A O no hydrogen 2.919 N/A THR 73.A OG1 GLU 74.A OE1 no hydrogen 2.826 N/A HIS 79.A N VAL 86.A O no hydrogen 3.324 N/A LYS 87.A NZ ASP 78.A OD2 no hydrogen 2.995 N/A LEU 88.A N VAL 77.A O no hydrogen 2.791 N/A VAL 89.A N ALA 24.A O no hydrogen 3.066 N/A THR 91.A N LEU 22.A O no hydrogen 3.072 N/A THR 91.A OG1 TYR 23.A O no hydrogen 3.335 N/A LEU 95.A N TYR 20.A O no hydrogen 2.868 N/A ASN 96.A ND2 LEU 95.A O no hydrogen 2.796 N/A LEU 97.A N ALA 18.A O no hydrogen 2.586 N/A ARG 98.A NH1 ASP 100.A OD2 no hydrogen 3.201 N/A GLU 105.A N GLU 105.A OE1 no hydrogen 2.603 N/A LEU 109.A N TYR 106.A O no hydrogen 3.229 N/A ARG 110.A N TYR 106.A O no hydrogen 3.271 N/A LEU 111.A N ASP 107.A O no hydrogen 3.206 N/A ARG 112.A N GLY 108.A O no hydrogen 3.231 N/A ARG 112.A NE PHE 55.A O no hydrogen 2.936 N/A ARG 112.A NH2 PHE 55.A O no hydrogen 3.410 N/A TYR 113.A N LEU 109.A O no hydrogen 3.077 N/A LEU 114.A N ARG 110.A O no hydrogen 2.741 N/A ASP 115.A N LEU 111.A O no hydrogen 3.039 N/A PHE 116.A N ARG 112.A O no hydrogen 2.936 N/A PHE 116.A N TYR 113.A O no hydrogen 2.867 N/A VAL 117.A N TYR 113.A O no hydrogen 3.007 N/A LEU 118.A N LEU 114.A O no hydrogen 3.121 N/A GLN 119.A NE2 SER 133.A OG no hydrogen 3.073 N/A GLN 120.A N VAL 117.A O no hydrogen 3.264 N/A ALA 124.A N GLN 120.A O no hydrogen 3.216 N/A ALA 124.A N PRO 121.A O no hydrogen 3.114 N/A ASN 125.A N LEU 122.A O no hydrogen 3.100 N/A HIS 127.A N ASN 125.A OD1 no hydrogen 2.894 N/A LEU 128.A N ASN 125.A O no hydrogen 3.170 N/A TRP 129.A N PHE 138.A O no hydrogen 2.793 N/A GLN 130.A NE2 GLN 119.A OE1 no hydrogen 3.378 N/A GLN 130.A NE2 GLN 135.A O no hydrogen 3.040 N/A GLN 135.A N GLY 132.A O no hydrogen 3.098 N/A PHE 137.A N VAL 155.A O no hydrogen 3.228 N/A PHE 138.A N TRP 129.A O no hydrogen 2.699 N/A HIS 139.A N ASP 153.A O no hydrogen 3.260 N/A HIS 139.A ND1 ASP 153.A OD2 no hydrogen 3.155 N/A LYS 140.A N HIS 127.A O no hydrogen 2.918 N/A LYS 140.A NZ HIS 126.A O no hydrogen 2.705 N/A LYS 140.A NZ ASP 206.A O no hydrogen 2.856 N/A LEU 143.A N LEU 151.A O no hydrogen 2.803 N/A LYS 144.A N LEU 151.A O no hydrogen 3.381 N/A LYS 144.A NZ GLN 295.A OE1 no hydrogen 2.765 N/A ARG 145.A NH1 ARG 145.A O no hydrogen 3.542 N/A VAL 149.A N ASP 147.A O no hydrogen 2.644 N/A ASP 150.A N ILE 178.A O no hydrogen 2.541 N/A LEU 151.A N LYS 144.A O no hydrogen 3.071 N/A TYR 152.A N LYS 176.A O no hydrogen 2.886 N/A GLY 154.A N ARG 174.A O no hydrogen 2.851 N/A VAL 155.A N PHE 137.A O no hydrogen 3.095 N/A SER 156.A N ASP 172.A O no hydrogen 2.899 N/A SER 156.A OG ASP 172.A O no hydrogen 3.352 N/A ARG 158.A N VAL 170.A O no hydrogen 3.007 N/A ALA 159.A N ASP 115.A OD1 no hydrogen 2.641 N/A ALA 160.A N GLY 168.A O no hydrogen 3.281 N/A LYS 161.A NZ ASP 103.A OD1 no hydrogen 2.830 N/A LYS 161.A NZ ASP 107.A OD2 no hydrogen 2.313 N/A HIS 162.A N GLY 166.A O no hydrogen 2.842 N/A GLU 164.A N HIS 162.A ND1 no hydrogen 3.151 N/A GLY 165.A N HIS 162.A O no hydrogen 2.855 N/A GLY 168.A N ALA 160.A O no hydrogen 3.066 N/A VAL 170.A N ARG 158.A O no hydrogen 2.827 N/A CYS 171.A N THR 6.A O no hydrogen 3.040 N/A ASP 172.A N SER 156.A O no hydrogen 3.413 N/A ARG 174.A N GLY 154.A O no hydrogen 2.612 N/A ARG 174.A NH1 ASP 172.A OD2 no hydrogen 2.805 N/A ARG 174.A NH1 ALA 173.A O no hydrogen 3.078 N/A LYS 176.A N TYR 152.A O no hydrogen 3.007 N/A LYS 176.A NZ GLN 210.A OE1 no hydrogen 2.854 N/A ILE 178.A N ASP 150.A O no hydrogen 2.928 N/A THR 179.A N LEU 280.A O no hydrogen 3.020 N/A THR 179.A OG1 THR 181.A O no hydrogen 3.333 N/A HIS 180.A N ASP 148.A O no hydrogen 2.973 N/A HIS 180.A ND1 ASP 150.A OD2 no hydrogen 2.939 N/A ILE 183.A N CYS 278.A O no hydrogen 2.834 N/A GLY 184.A N ALA 275.A O no hydrogen 3.129 N/A ARG 189.A NH2 VAL 216.A O no hydrogen 3.542 N/A LYS 190.A N ASP 188.A OD1 no hydrogen 2.705 N/A ARG 191.A N ASP 188.A OD1 no hydrogen 2.893 N/A LEU 192.A N ASP 188.A O no hydrogen 3.085 N/A GLY 193.A N ARG 189.A O no hydrogen 3.241 N/A LYS 194.A N LYS 190.A O no hydrogen 3.275 N/A LEU 195.A N LEU 192.A O no hydrogen 3.457 N/A ILE 196.A N GLY 193.A O no hydrogen 3.155 N/A ASN 197.A N ILE 213.A O no hydrogen 2.727 N/A ARG 198.A N LEU 195.A O no hydrogen 3.226 N/A SER 199.A OG PHE 211.A O no hydrogen 3.428 N/A CYS 200.A N PHE 211.A O no hydrogen 2.979 N/A LEU 201.A N PHE 279.A O no hydrogen 2.839 N/A TYR 202.A N TYR 209.A O no hydrogen 2.819 N/A LYS 203.A N LEU 277.A O no hydrogen 2.975 N/A HIS 207.A N MET 204.A O no hydrogen 3.031 N/A TYR 209.A N TYR 202.A O no hydrogen 3.331 N/A TYR 209.A OH TYR 263.A OH no hydrogen 2.886 N/A GLN 210.A N PRO 131.A O no hydrogen 2.789 N/A PHE 211.A N CYS 200.A O no hydrogen 3.051 N/A ILE 213.A N ARG 198.A O no hydrogen 2.900 N/A ASP 214.A N GLU 262.A O no hydrogen 2.852 N/A SER 217.A N ALA 260.A O no hydrogen 3.015 N/A SER 217.A OG GLU 262.A OE2 no hydrogen 3.066 N/A TRP 219.A N SER 217.A OG no hydrogen 3.402 N/A LYS 220.A N GLU 223.A OE1 no hydrogen 2.763 N/A LYS 220.A NZ GLU 223.A OE2 no hydrogen 2.571 N/A VAL 221.A N GLY 258.A O no hydrogen 2.923 N/A GLY 222.A N PRO 256.A O no hydrogen 2.948 N/A GLU 223.A N LYS 220.A O no hydrogen 3.042 N/A SER 225.A N ILE 233.A O no hydrogen 3.099 N/A SER 225.A OG GLU 223.A O no hydrogen 2.998 N/A LEU 226.A N ILE 233.A O no hydrogen 3.136 N/A VAL 231.A N GLY 229.A O no hydrogen 2.349 N/A ILE 233.A N LEU 226.A O no hydrogen 2.571 N/A SER 234.A OG VAL 221.A O no hydrogen 3.429 N/A ALA 236.A N VAL 221.A O no hydrogen 2.922 N/A GLN 237.A N SER 234.A OG no hydrogen 3.089 N/A GLN 238.A N SER 234.A O no hydrogen 2.864 N/A LEU 239.A N LEU 235.A O no hydrogen 3.023 N/A VAL 240.A N ALA 236.A O no hydrogen 3.191 N/A ARG 241.A N GLN 237.A O no hydrogen 3.018 N/A ARG 241.A NE GLU 228.A OE1 no hydrogen 3.197 N/A ARG 241.A NE GLU 228.A OE2 no hydrogen 2.593 N/A ARG 241.A NH2 GLU 228.A OE2 no hydrogen 2.636 N/A THR 242.A N GLN 238.A O no hydrogen 3.247 N/A THR 242.A OG1 GLN 238.A O no hydrogen 3.492 N/A ALA 243.A N LEU 239.A O no hydrogen 2.872 N/A ILE 251.A N PRO 248.A O no hydrogen 3.449 N/A ILE 252.A N LYS 249.A O no hydrogen 3.113 N/A ASP 255.A N GLU 276.A OE1 no hydrogen 2.934 N/A GLU 257.A N ASP 255.A OD1 no hydrogen 2.664 N/A GLY 258.A N ASP 255.A O no hydrogen 3.354 N/A LEU 261.A N ALA 273.A O no hydrogen 2.845 N/A GLU 262.A N ALA 215.A O no hydrogen 2.893 N/A TYR 263.A N ARG 271.A O no hydrogen 3.139 N/A THR 265.A N GLU 269.A O no hydrogen 2.941 N/A THR 265.A OG1 GLU 269.A O no hydrogen 3.421 N/A THR 267.A OG1 THR 267.A O no hydrogen 2.313 N/A THR 267.A OG1 GLU 269.A OE1 no hydrogen 3.411 N/A ASN 268.A N THR 265.A O no hydrogen 2.572 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.668 N/A ARG 270.A NH1 ASP 214.A OD2 no hydrogen 2.529 N/A ARG 271.A N TYR 263.A O no hydrogen 3.115 N/A ARG 271.A NH1 ARG 270.A O no hydrogen 2.576 N/A ALA 273.A N LEU 261.A O no hydrogen 3.131 N/A ALA 275.A N GLY 259.A O no hydrogen 2.832 N/A LEU 277.A N PRO 274.A O no hydrogen 3.064 N/A CYS 278.A N ALA 275.A O no hydrogen 3.368 N/A CYS 278.A SG PRO 274.A O no hydrogen 3.469 N/A PHE 279.A N LEU 201.A O no hydrogen 2.906 N/A ILE 281.A N SER 199.A O no hydrogen 2.678 N/A GLU 282.A N PHE 177.A O no hydrogen 3.045 N/A THR 284.A OG1 GLN 293.A OE1 no hydrogen 2.580 N/A GLY 286.A N ASP 283.A O no hydrogen 2.662 N/A ARG 287.A N ASP 283.A O no hydrogen 3.099 N/A ARG 287.A NH2 GLU 282.A OE2 no hydrogen 2.854 N/A GLN 293.A N ALA 289.A O no hydrogen 2.686 N/A ARG 294.A N ALA 290.A O no hydrogen 3.247 N/A GLN 295.A N LEU 292.A O no hydrogen 3.042 N/A THR 296.A N GLN 293.A O no hydrogen 2.942 N/A ILE 297.A N ARG 294.A O no hydrogen 3.333 N/A SER 299.A N GLU 302.A OE1 no hydrogen 3.304 N/A GLU 302.A N SER 299.A OG no hydrogen 3.405 N/A ARG 303.A N SER 299.A O no hydrogen 2.870 N/A ARG 303.A NE ASP 172.A OD1 no hydrogen 3.117 N/A ARG 303.A NH2 ALA 173.A O no hydrogen 3.229 N/A ARG 304.A N PRO 300.A O no hydrogen 2.911 N/A ARG 304.A NH1 GLU 4.A OE2 no hydrogen 2.681 N/A ALA 305.A N SER 301.A O no hydrogen 2.958 N/A ARG 306.A N GLU 302.A O no hydrogen 3.094 N/A VAL 307.A N ARG 303.A O no hydrogen 3.140 N/A ASN 308.A N ARG 304.A O no hydrogen 2.998 N/A ASN 308.A ND2 ARG 304.A O no hydrogen 3.054 N/A GLY 309.A N ALA 305.A O no hydrogen 2.834 N/A PHE 310.A N ARG 306.A O no hydrogen 3.208 N/A ILE 311.A N VAL 307.A O no hydrogen 3.134 N/A ARG 312.A N ASN 308.A O no hydrogen 2.867 N/A ARG 313.A N GLY 309.A O no hydrogen 2.875 N/A TYR 314.A N PHE 310.A O no hydrogen 3.010 N/A LEU 315.A N ILE 311.A O no hydrogen 3.078 N/A ILE 320.A N ALA 323.A O no hydrogen 3.079 N/A LEU 325.A N LEU 318.A O no hydrogen 2.743 N/A SER 326.A N GLU 11.A O no hydrogen 3.160 N/A SER 326.A OG SER 316.A O no hydrogen 2.826 N/A ALA 327.A N LEU 315.A O no hydrogen 3.100 N/A GLY 328.A N PRO 9.A O no hydrogen 2.872 N/A HIS 332.A N LEU 7.A O no hydrogen 2.803 N/A PHE 334.A N LEU 3.A O no hydrogen 2.819 N/A THR 336.A N MET 1.A O no hydrogen 3.241 N/A THR 336.A OG1 GLU 337.A O no hydrogen 3.336 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.628 N/A THR 338.A OG1 SER 692.A OG no hydrogen 3.389 N/A HIS 339.A N GLY 691.A O no hydrogen 3.210 N/A LEU 344.A N LEU 352.A O no hydrogen 2.828 N/A SER 345.A N VAL 549.A O no hydrogen 2.725 N/A PHE 346.A N THR 350.A O no hydrogen 2.860 N/A GLY 347.A N GLY 381.A O no hydrogen 2.942 N/A THR 350.A N GLY 347.A O no hydrogen 3.096 N/A THR 350.A OG1 GLY 347.A O no hydrogen 2.844 N/A THR 350.A OG1 ASN 348.A O no hydrogen 3.304 N/A LEU 352.A N LEU 344.A O no hydrogen 2.871 N/A SER 357.A N ASP 355.A OD1 no hydrogen 2.746 N/A SER 357.A OG ASP 355.A OD1 no hydrogen 2.519 N/A SER 357.A OG ASP 355.A OD2 no hydrogen 3.430 N/A LYS 358.A NZ ASP 355.A OD2 no hydrogen 3.419 N/A LYS 358.A NZ GLU 366.A OE1 no hydrogen 3.096 N/A GLN 362.A N ASP 359.A OD2 no hydrogen 3.348 N/A GLN 362.A NE2 GLU 366.A OE2 no hydrogen 3.310 N/A ALA 363.A N ASP 359.A O no hydrogen 2.972 N/A MET 364.A N ARG 360.A O no hydrogen 2.816 N/A GLN 365.A N PHE 361.A O no hydrogen 3.198 N/A GLU 366.A N GLN 362.A O no hydrogen 3.093 N/A TYR 367.A N ALA 363.A O no hydrogen 3.052 N/A TYR 367.A OH PRO 342.A O no hydrogen 2.820 N/A SER 368.A N MET 364.A O no hydrogen 2.990 N/A SER 368.A OG ASP 749.A OD1 no hydrogen 2.903 N/A SER 369.A N GLN 365.A O no hydrogen 3.131 N/A SER 369.A OG GLN 365.A O no hydrogen 2.880 N/A MET 370.A N GLU 366.A O no hydrogen 2.873 N/A ARG 371.A N TYR 367.A O no hydrogen 2.976 N/A ARG 371.A NH1 CYS 742.A O no hydrogen 3.091 N/A ARG 371.A NH2 SER 368.A OG no hydrogen 2.834 N/A ARG 372.A N SER 369.A O no hydrogen 2.782 N/A THR 373.A N SER 369.A O no hydrogen 3.114 N/A MET 374.A N MET 370.A O no hydrogen 2.847 N/A LEU 376.A N ARG 372.A O no hydrogen 3.013 N/A ASP 377.A N THR 373.A O no hydrogen 2.958 N/A LYS 379.A N ASP 377.A OD1 no hydrogen 2.727 N/A VAL 380.A N ASP 377.A O no hydrogen 2.956 N/A GLY 381.A N MET 374.A O no hydrogen 3.060 N/A PHE 383.A N PRO 547.A O no hydrogen 2.974 N/A HIS 384.A N TRP 546.A O no hydrogen 3.383 N/A GLN 385.A NE2 VAL 380.A O no hydrogen 3.011 N/A GLN 385.A NE2 PHE 382.A O no hydrogen 2.659 N/A ASP 386.A N TYR 419.A OH no hydrogen 3.074 N/A VAL 387.A N ASP 386.A OD1 no hydrogen 2.878 N/A PHE 388.A N GLY 422.A O no hydrogen 3.040 N/A GLN 391.A NE2 PRO 389.A O no hydrogen 2.668 N/A GLN 391.A NE2 ASN 543.A OD1 no hydrogen 3.175 N/A THR 392.A N ASP 460.A O no hydrogen 3.190 N/A THR 392.A OG1 LYS 457.A O no hydrogen 3.076 N/A THR 392.A OG1 SER 458.A OG no hydrogen 3.005 N/A LEU 393.A N GLU 427.A O no hydrogen 2.976 N/A LEU 394.A N LEU 462.A O no hydrogen 2.989 N/A LEU 395.A N ILE 429.A O no hydrogen 2.764 N/A GLU 397.A N TYR 431.A O no hydrogen 2.911 N/A SER 398.A N ASP 433.A OD1 no hydrogen 3.064 N/A SER 398.A OG ASP 433.A OD2 no hydrogen 2.597 N/A VAL 399.A N PRO 396.A O no hydrogen 2.869 N/A LYS 400.A N PRO 396.A O no hydrogen 3.002 N/A LYS 401.A N GLU 397.A O no hydrogen 3.048 N/A SER 402.A N VAL 399.A O no hydrogen 2.950 N/A SER 402.A OG SER 398.A O no hydrogen 2.787 N/A SER 402.A OG VAL 399.A O no hydrogen 3.136 N/A GLY 404.A N VAL 399.A O no hydrogen 2.716 N/A PHE 407.A N TRP 403.A O no hydrogen 3.047 N/A ALA 408.A N GLY 404.A O no hydrogen 2.840 N/A SER 409.A N PRO 405.A O no hydrogen 2.982 N/A ASP 410.A N ALA 406.A O no hydrogen 3.108 N/A PHE 411.A N PHE 407.A O no hydrogen 2.822 N/A VAL 412.A N ALA 408.A O no hydrogen 2.919 N/A GLY 413.A N SER 409.A O no hydrogen 3.213 N/A THR 414.A N ASP 410.A O no hydrogen 3.013 N/A THR 414.A OG1 ASP 410.A O no hydrogen 2.709 N/A VAL 415.A N PHE 411.A O no hydrogen 2.901 N/A GLN 416.A N VAL 412.A O no hydrogen 2.828 N/A GLU 417.A N GLY 413.A O no hydrogen 3.169 N/A LEU 418.A N THR 414.A O no hydrogen 2.964 N/A TYR 419.A N VAL 415.A O no hydrogen 2.807 N/A TYR 419.A OH HIS 384.A O no hydrogen 2.746 N/A GLY 422.A N TYR 419.A O no hydrogen 3.092 N/A GLU 427.A N GLN 391.A O no hydrogen 3.116 N/A ILE 429.A N LEU 393.A O no hydrogen 2.869 N/A TYR 431.A N LEU 395.A O no hydrogen 3.137 N/A TYR 431.A OH MET 464.A O no hydrogen 2.664 N/A ALA 435.A N ARG 432.A O no hydrogen 3.336 N/A TYR 436.A OH GLU 449.A OE1 no hydrogen 2.948 N/A TYR 436.A OH GLU 449.A OE2 no hydrogen 3.417 N/A GLN 443.A N GLY 439.A O no hydrogen 3.190 N/A GLN 443.A NE2 ASP 433.A O no hydrogen 3.199 N/A MET 444.A N VAL 440.A O no hydrogen 3.187 N/A ALA 446.A N GLY 442.A O no hydrogen 3.035 N/A LEU 447.A N GLN 443.A O no hydrogen 2.957 N/A LEU 448.A N MET 444.A O no hydrogen 2.806 N/A GLU 449.A N LYS 445.A O no hydrogen 3.217 N/A VAL 450.A N ALA 446.A O no hydrogen 3.428 N/A ALA 451.A N LEU 447.A O no hydrogen 3.207 N/A GLU 452.A N LEU 448.A O no hydrogen 2.813 N/A ARG 453.A N GLU 449.A O no hydrogen 3.175 N/A ARG 453.A NE GLU 455.A OE2 no hydrogen 2.408 N/A ARG 453.A NH1 GLU 449.A OE2 no hydrogen 3.211 N/A GLY 454.A N ALA 451.A O no hydrogen 2.817 N/A GLU 455.A N VAL 450.A O no hydrogen 3.369 N/A SER 458.A OG THR 392.A OG1 no hydrogen 3.005 N/A SER 458.A OG LYS 457.A O no hydrogen 2.386 N/A SER 458.A OG ASP 460.A O no hydrogen 3.205 N/A VAL 461.A N ARG 493.A O no hydrogen 2.765 N/A LEU 462.A N THR 392.A O no hydrogen 2.974 N/A VAL 463.A N GLN 495.A O no hydrogen 2.898 N/A MET 464.A N LEU 394.A O no hydrogen 2.982 N/A LEU 465.A N ILE 497.A O no hydrogen 2.982 N/A HIS 466.A ND1 SER 499.A OG no hydrogen 2.818 N/A HIS 466.A NE2 ASP 433.A OD2 no hydrogen 2.681 N/A ARG 467.A NE ASP 500.A OD2 no hydrogen 2.785 N/A ARG 473.A N ALA 471.A O no hydrogen 2.534 N/A ALA 474.A N ALA 471.A O no hydrogen 3.096 N/A GLN 475.A NE2 PHE 766.A O no hydrogen 2.896 N/A LYS 477.A N GLN 475.A O no hydrogen 2.850 N/A ALA 479.A N ASP 476.A OD1 no hydrogen 3.212 N/A ALA 480.A N ASP 476.A O no hydrogen 3.342 N/A MET 481.A N LYS 477.A O no hydrogen 3.013 N/A VAL 482.A N LEU 478.A O no hydrogen 3.154 N/A CYS 483.A N ALA 479.A O no hydrogen 3.356 N/A CYS 483.A N ALA 480.A O no hydrogen 3.161 N/A CYS 483.A SG ALA 479.A O no hydrogen 3.186 N/A ASN 484.A N ALA 480.A O no hydrogen 3.118 N/A GLU 485.A N MET 481.A O no hydrogen 2.863 N/A PHE 486.A N VAL 482.A O no hydrogen 3.117 N/A GLU 487.A N CYS 483.A O no hydrogen 3.112 N/A GLU 487.A N ASN 484.A O no hydrogen 3.263 N/A LYS 488.A N ASN 484.A O no hydrogen 2.777 N/A LYS 488.A NZ GLU 485.A OE1 no hydrogen 3.473 N/A LYS 488.A NZ GLU 485.A OE2 no hydrogen 3.227 N/A ARG 489.A N GLU 485.A O no hydrogen 2.949 N/A ARG 489.A NH2 GLU 452.A OE2 no hydrogen 2.669 N/A LYS 492.A N PHE 486.A O no hydrogen 2.968 N/A LYS 492.A NZ ILE 456.A O no hydrogen 3.240 N/A ARG 493.A N GLY 459.A O no hydrogen 2.552 N/A ARG 493.A NE ASP 460.A OD1 no hydrogen 2.990 N/A ARG 493.A NH2 ASP 460.A OD2 no hydrogen 2.668 N/A GLN 495.A N VAL 461.A O no hydrogen 2.813 N/A ILE 497.A N VAL 463.A O no hydrogen 3.220 N/A SER 499.A N LEU 465.A O no hydrogen 2.890 N/A SER 499.A OG HIS 466.A ND1 no hydrogen 2.818 N/A SER 501.A N ASP 500.A OD1 no hydrogen 2.583 N/A GLY 503.A N SER 499.A O no hydrogen 3.160 N/A ARG 504.A N ASP 500.A O no hydrogen 3.221 N/A ARG 504.A NH1 GLY 524.A O no hydrogen 3.262 N/A GLY 505.A N PRO 502.A O no hydrogen 2.862 N/A TYR 506.A N GLY 503.A O no hydrogen 3.137 N/A TYR 506.A OH ASP 410.A OD2 no hydrogen 2.635 N/A LYS 507.A N VAL 518.A O no hydrogen 2.858 N/A ILE 509.A N THR 516.A O no hydrogen 2.777 N/A LYS 511.A N LYS 514.A O no hydrogen 2.850 N/A THR 516.A N ILE 509.A O no hydrogen 2.899 N/A VAL 518.A N LYS 507.A O no hydrogen 3.029 N/A GLN 519.A NE2 ASP 410.A OD2 no hydrogen 2.582 N/A GLN 520.A N GLY 505.A O no hydrogen 3.079 N/A GLN 520.A NE2 ARG 504.A O no hydrogen 3.499 N/A LYS 528.A NZ ASN 526.A OD1 no hydrogen 3.089 N/A GLY 529.A N ASN 526.A OD1 no hydrogen 3.215 N/A TYR 530.A N ASN 526.A O no hydrogen 2.768 N/A LEU 531.A N ILE 527.A O no hydrogen 2.925 N/A LYS 532.A N LYS 528.A O no hydrogen 3.145 N/A GLY 533.A N GLY 529.A O no hydrogen 3.156 N/A ALA 534.A N TYR 530.A O no hydrogen 3.026 N/A ALA 535.A N LEU 531.A O no hydrogen 2.764 N/A LEU 536.A N LYS 532.A O no hydrogen 3.004 N/A ASN 537.A N GLY 533.A O no hydrogen 2.896 N/A ASN 537.A ND2 GLY 533.A O no hydrogen 2.987 N/A ASN 537.A ND2 PRO 746.A O no hydrogen 3.145 N/A LYS 538.A N ALA 534.A O no hydrogen 2.881 N/A LYS 538.A NZ VAL 496.A O no hydrogen 2.825 N/A VAL 539.A N ALA 535.A O no hydrogen 3.193 N/A CYS 540.A N ALA 535.A O no hydrogen 3.091 N/A CYS 540.A SG ALA 535.A O no hydrogen 3.743 N/A LEU 541.A N LEU 536.A O no hydrogen 2.951 N/A ASN 543.A N CYS 540.A O no hydrogen 2.953 N/A ASN 543.A ND2 GLN 391.A OE1 no hydrogen 2.787 N/A ASN 543.A ND2 VAL 539.A O no hydrogen 2.921 N/A SER 544.A N LEU 541.A O no hydrogen 3.189 N/A ARG 545.A N CYS 540.A O no hydrogen 3.059 N/A ARG 545.A NE ASN 543.A O no hydrogen 3.305 N/A ARG 545.A NH1 TYR 419.A OH no hydrogen 2.917 N/A ARG 545.A NH2 VAL 387.A O no hydrogen 2.903 N/A VAL 549.A N SER 345.A O no hydrogen 3.128 N/A LEU 550.A N GLY 577.A O no hydrogen 2.872 N/A ARG 551.A N ALA 343.A O no hydrogen 3.019 N/A ARG 551.A NE ASP 552.A OD1 no hydrogen 2.599 N/A ARG 551.A NE ASP 552.A OD2 no hydrogen 3.481 N/A ARG 551.A NH2 ASP 552.A OD2 no hydrogen 2.900 N/A ASN 555.A N ASP 736.A OD2 no hydrogen 3.283 N/A ASP 557.A N ARG 620.A O no hydrogen 2.767 N/A THR 559.A N VAL 574.A O no hydrogen 3.192 N/A ILE 560.A N VAL 622.A O no hydrogen 2.822 N/A GLY 561.A N THR 572.A O no hydrogen 2.975 N/A ILE 562.A N HIS 624.A O no hydrogen 3.014 N/A ASP 563.A N VAL 570.A O no hydrogen 3.140 N/A LYS 565.A N MET 568.A O no hydrogen 3.121 N/A LYS 565.A NZ LEU 765.A O no hydrogen 3.126 N/A ASN 567.A N ARG 591.A O no hydrogen 3.018 N/A ALA 569.A N SER 586.A O no hydrogen 2.777 N/A VAL 570.A N ASP 563.A O no hydrogen 2.817 N/A PHE 571.A N GLN 584.A O no hydrogen 2.896 N/A THR 572.A N GLY 561.A O no hydrogen 2.832 N/A THR 572.A OG1 THR 757.A O no hydrogen 2.943 N/A MET 573.A N ARG 582.A O no hydrogen 2.859 N/A VAL 574.A N THR 559.A O no hydrogen 2.982 N/A ALA 575.A N ILE 580.A O no hydrogen 2.969 N/A GLY 578.A N ALA 575.A O no hydrogen 3.144 N/A ARG 579.A NH1 LEU 550.A O no hydrogen 2.977 N/A ARG 579.A NH2 LEU 550.A O no hydrogen 3.210 N/A ILE 580.A N ALA 575.A O no hydrogen 3.300 N/A ARG 582.A N MET 573.A O no hydrogen 3.150 N/A ARG 582.A NH1 VAL 581.A O no hydrogen 2.795 N/A GLN 584.A N PHE 571.A O no hydrogen 2.841 N/A GLN 584.A NE2 GLU 605.A OE1 no hydrogen 2.677 N/A ARG 585.A NH1 ALA 764.A O no hydrogen 3.350 N/A SER 586.A N ALA 569.A O no hydrogen 3.012 N/A SER 586.A OG ARG 587.A O no hydrogen 3.335 N/A SER 588.A OG GLN 590.A O no hydrogen 2.828 N/A GLN 590.A NE2 GLN 593.A OE1 no hydrogen 3.650 N/A LEU 594.A N GLU 633.A OE2 no hydrogen 2.935 N/A GLN 598.A NE2 ARG 587.A O no hydrogen 2.561 N/A VAL 599.A N LEU 595.A O no hydrogen 3.423 N/A THR 600.A OG1 GLU 596.A O no hydrogen 3.474 N/A THR 600.A OG1 GLY 636.A O no hydrogen 2.964 N/A GLN 601.A N SER 597.A O no hydrogen 2.940 N/A VAL 602.A N GLN 598.A O no hydrogen 3.226 N/A ILE 603.A N VAL 599.A O no hydrogen 3.273 N/A THR 604.A N THR 600.A O no hydrogen 3.352 N/A THR 604.A OG1 THR 600.A O no hydrogen 2.396 N/A THR 604.A OG1 GLN 601.A O no hydrogen 2.691 N/A GLU 605.A N GLN 601.A O no hydrogen 3.073 N/A MET 606.A N VAL 602.A O no hydrogen 3.025 N/A LEU 607.A N ILE 603.A O no hydrogen 2.915 N/A SER 608.A N THR 604.A O no hydrogen 3.051 N/A SER 608.A OG THR 604.A O no hydrogen 2.598 N/A LYS 609.A N GLU 605.A O no hydrogen 3.442 N/A LYS 609.A NZ GLU 605.A OE2 no hydrogen 2.767 N/A GLU 610.A N LEU 607.A O no hydrogen 3.128 N/A LEU 611.A N LEU 607.A O no hydrogen 2.866 N/A GLU 613.A N GLU 610.A O no hydrogen 2.733 N/A ILE 614.A N LEU 611.A O no hydrogen 3.189 N/A LYS 615.A N GLU 576.A OE2 no hydrogen 3.393 N/A LYS 615.A NZ PRO 612.A O no hydrogen 3.346 N/A GLN 619.A N ASP 557.A OD2 no hydrogen 2.697 N/A ARG 620.A N ASP 557.A OD2 no hydrogen 3.157 N/A VAL 621.A N ASP 655.A O no hydrogen 3.000 N/A VAL 622.A N VAL 558.A O no hydrogen 3.216 N/A ILE 623.A N SER 657.A O no hydrogen 2.952 N/A HIS 624.A N ILE 560.A O no hydrogen 2.610 N/A HIS 624.A ND1 THR 757.A OG1 no hydrogen 2.803 N/A ARG 625.A N PHE 659.A O no hydrogen 2.901 N/A ARG 625.A NE GLU 633.A OE1 no hydrogen 3.320 N/A ARG 625.A NH1 ASP 626.A O no hydrogen 3.152 N/A ARG 625.A NH2 GLU 592.A O no hydrogen 3.125 N/A ARG 625.A NH2 GLU 633.A OE1 no hydrogen 3.460 N/A ARG 625.A NH2 GLU 633.A OE2 no hydrogen 2.900 N/A ASP 626.A N ILE 562.A O no hydrogen 3.030 N/A GLY 627.A N VAL 661.A O no hydrogen 3.199 N/A ALA 629.A N GLU 660.A OE2 no hydrogen 2.634 N/A TRP 630.A N GLU 633.A OE1 no hydrogen 3.230 N/A GLU 633.A N TRP 630.A O no hydrogen 2.791 N/A ILE 634.A N TRP 630.A O no hydrogen 3.171 N/A ALA 635.A N PRO 631.A O no hydrogen 3.041 N/A GLY 636.A N ALA 632.A O no hydrogen 3.444 N/A ALA 637.A N GLU 633.A O no hydrogen 3.256 N/A ARG 638.A N ILE 634.A O no hydrogen 2.881 N/A LYS 639.A N ALA 635.A O no hydrogen 2.821 N/A LYS 639.A NZ ASP 643.A OD1 no hydrogen 3.048 N/A THR 640.A N GLY 636.A O no hydrogen 3.049 N/A THR 640.A OG1 THR 600.A O no hydrogen 3.428 N/A THR 640.A OG1 GLY 636.A O no hydrogen 3.155 N/A ALA 642.A N ARG 638.A O no hydrogen 3.192 N/A ASP 643.A N LYS 639.A O no hydrogen 3.206 N/A MET 644.A N THR 640.A O no hydrogen 3.419 N/A ALA 645.A N PHE 641.A O no hydrogen 3.194 N/A ALA 645.A N ALA 642.A O no hydrogen 3.222 N/A GLU 646.A N ALA 642.A O no hydrogen 3.331 N/A GLU 646.A N ASP 643.A O no hydrogen 2.734 N/A SER 647.A N ASP 643.A O no hydrogen 2.978 N/A SER 647.A OG ASP 643.A O no hydrogen 3.133 N/A ILE 650.A N MET 644.A O no hydrogen 3.274 N/A ALA 651.A N VAL 618.A O no hydrogen 2.863 N/A ALA 654.A N ALA 651.A O no hydrogen 3.428 N/A ASP 655.A N GLN 619.A O no hydrogen 3.356 N/A SER 657.A N VAL 621.A O no hydrogen 2.932 N/A VAL 658.A N PHE 725.A O no hydrogen 2.905 N/A PHE 659.A N ILE 623.A O no hydrogen 2.988 N/A GLU 660.A N ARG 722.A O no hydrogen 2.719 N/A VAL 661.A N ARG 625.A O no hydrogen 2.755 N/A LEU 662.A N HIS 720.A O no hydrogen 2.949 N/A LYS 663.A NZ ASP 626.A OD2 no hydrogen 3.207 N/A SER 665.A OG HIS 720.A ND1 no hydrogen 2.773 N/A ALA 667.A N SER 665.A OG no hydrogen 3.172 N/A ARG 670.A N THR 6.A OG1 no hydrogen 3.054 N/A ARG 670.A NE ASP 172.A OD2 no hydrogen 2.894 N/A ARG 670.A NH1 ALA 716.A O no hydrogen 3.141 N/A ARG 670.A NH2 ASP 172.A OD2 no hydrogen 3.241 N/A PHE 672.A N GLU 4.A O no hydrogen 2.677 N/A SER 673.A N ILE 686.A O no hydrogen 3.145 N/A SER 673.A OG THR 2.A O no hydrogen 3.530 N/A THR 678.A N ASN 681.A O no hydrogen 2.947 N/A THR 678.A OG1 THR 678.A O no hydrogen 2.363 N/A ASN 681.A N THR 678.A O no hydrogen 3.188 N/A ASN 681.A ND2 VAL 685.A O no hydrogen 2.937 N/A GLY 684.A N ASN 681.A O no hydrogen 2.891 N/A VAL 685.A N ASN 681.A OD1 no hydrogen 3.032 N/A ILE 686.A N SER 673.A O no hydrogen 2.865 N/A ASN 687.A ND2 GLY 714.A O no hydrogen 3.226 N/A SER 692.A N VAL 689.A O no hydrogen 3.018 N/A SER 692.A OG THR 338.A OG1 no hydrogen 3.389 N/A SER 692.A OG VAL 689.A O no hydrogen 2.753 N/A TRP 693.A NE1 GLU 337.A O no hydrogen 3.099 N/A LEU 694.A N TYR 702.A O no hydrogen 3.006 N/A LYS 695.A NZ GLU 698.A OE2 no hydrogen 2.979 N/A LEU 696.A N ASP 700.A O no hydrogen 3.112 N/A ASN 699.A N SER 697.A OG no hydrogen 2.698 N/A GLY 701.A N VAL 721.A O no hydrogen 3.088 N/A TYR 702.A N LEU 694.A O no hydrogen 2.828 N/A TYR 702.A OH ALA 667.A O no hydrogen 2.827 N/A ILE 703.A N LEU 719.A O no hydrogen 3.061 N/A CYS 704.A N SER 692.A O no hydrogen 2.939 N/A THR 705.A OG1 ARG 753.A O no hydrogen 2.484 N/A LEU 710.A N GLY 707.A O no hydrogen 3.106 N/A LEU 711.A N GLY 707.A O no hydrogen 3.073 N/A THR 715.A OG1 ALA 716.A O no hydrogen 3.374 N/A ALA 716.A N ASN 687.A OD1 no hydrogen 2.818 N/A LEU 719.A N ILE 703.A O no hydrogen 2.784 N/A HIS 720.A ND1 SER 665.A OG no hydrogen 2.773 N/A HIS 720.A NE2 ASP 700.A OD2 no hydrogen 2.864 N/A VAL 721.A N GLY 701.A O no hydrogen 3.150 N/A ARG 722.A N GLU 660.A O no hydrogen 2.966 N/A LYS 723.A N ASN 699.A O no hydrogen 3.084 N/A LYS 723.A NZ GLY 726.A O no hydrogen 2.757 N/A LYS 723.A NZ MET 728.A O no hydrogen 2.665 N/A ALA 724.A N VAL 658.A O no hydrogen 2.809 N/A PHE 725.A N VAL 658.A O no hydrogen 3.259 N/A MET 728.A N SER 657.A OG no hydrogen 3.276 N/A GLU 731.A N GLU 731.A OE2 no hydrogen 2.811 N/A ALA 733.A N ALA 729.A O no hydrogen 3.053 N/A LEU 734.A N ILE 730.A O no hydrogen 2.819 N/A LYS 735.A N GLU 731.A O no hydrogen 2.980 N/A LYS 735.A NZ ASP 739.A OD2 no hydrogen 3.319 N/A ASP 736.A N ASP 732.A O no hydrogen 3.274 N/A VAL 737.A N ALA 733.A O no hydrogen 2.961 N/A PHE 738.A N LEU 734.A O no hydrogen 3.062 N/A ASP 739.A N LYS 735.A O no hydrogen 2.954 N/A LEU 740.A N ASP 736.A O no hydrogen 2.619 N/A SER 741.A N PHE 738.A O no hydrogen 2.943 N/A SER 741.A OG PHE 738.A O no hydrogen 2.806 N/A CYS 742.A N PHE 738.A O no hydrogen 3.262 N/A CYS 742.A N ASP 739.A O no hydrogen 3.216 N/A CYS 742.A SG PHE 738.A O no hydrogen 3.572 N/A THR 744.A OG1 PRO 748.A O no hydrogen 2.693 N/A TRP 745.A N LEU 743.A O no hydrogen 2.703 N/A TRP 745.A NE1 PHE 548.A O no hydrogen 2.949 N/A LYS 747.A N THR 744.A O no hydrogen 3.173 N/A SER 750.A OG LYS 747.A O no hydrogen 2.843 N/A SER 750.A OG CYS 751.A O no hydrogen 3.059 N/A ARG 753.A NH1 ASP 717.A O no hydrogen 2.677 N/A LEU 756.A N LEU 740.A O no hydrogen 3.120 N/A THR 757.A OG1 HIS 624.A ND1 no hydrogen 2.803 N/A LYS 759.A N PRO 755.A O no hydrogen 2.868 N/A LEU 760.A N LEU 756.A O no hydrogen 2.833 N/A CYS 761.A N ILE 758.A O no hydrogen 3.184 N/A CYS 761.A SG THR 757.A O no hydrogen 3.671 N/A ALA 764.A N LEU 760.A O no hydrogen 3.387 N/A LEU 765.A N CYS 761.A O no hydrogen 2.627 N/A PHE 766.A N ASP 762.A O no hydrogen 2.847 N/A ASP 767.A N ALA 764.A O no hydrogen 3.397 N/A