Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8szf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE PRO 3.A O no hydrogen 3.171 N/A ARG 6.A NH1 GLN 8.A OE1 no hydrogen 3.127 N/A ARG 6.A NH2 PRO 3.A O no hydrogen 2.831 N/A ALA 7.A N ILE 78.A O no hydrogen 3.189 N/A GLN 8.A N HIS 315.A O no hydrogen 3.145 N/A LYS 9.A N TYR 76.A O no hydrogen 3.221 N/A ASP 12.A N THR 73.A OG1 no hydrogen 2.817 N/A ILE 13.A N THR 73.A O no hydrogen 3.208 N/A LEU 15.A N GLY 75.A O no hydrogen 2.993 N/A GLY 16.A N ALA 111.A O no hydrogen 2.940 N/A GLY 17.A N ARG 77.A O no hydrogen 3.444 N/A PHE 19.A N PHE 79.A O no hydrogen 3.390 N/A ILE 21.A N PHE 19.A O no hydrogen 3.198 N/A ILE 21.A N ASP 80.A OD1 no hydrogen 2.855 N/A HIS 22.A ND1 ASP 80.A OD2 no hydrogen 3.137 N/A PHE 23.A N ARG 43.A O no hydrogen 2.871 N/A ALA 26.A N GLU 40.A O no hydrogen 2.643 N/A LYS 28.A N ALA 26.A O no hydrogen 2.948 N/A LYS 33.A N ASP 31.A O no hydrogen 2.811 N/A ILE 42.A N GLY 24.A O no hydrogen 3.193 N/A ARG 43.A NH1 GLU 248.A OE1 no hydrogen 3.018 N/A TYR 44.A OH PHE 318.A O no hydrogen 3.429 N/A ASN 45.A N ILE 21.A O no hydrogen 3.014 N/A ASN 45.A ND2 PRO 20.A O no hydrogen 3.094 N/A PHE 49.A N ASN 45.A O no hydrogen 2.984 N/A ARG 50.A N PHE 46.A O no hydrogen 2.917 N/A TRP 51.A N ARG 47.A O no hydrogen 2.956 N/A LEU 52.A N GLY 48.A O no hydrogen 2.923 N/A GLN 53.A N PHE 49.A O no hydrogen 2.920 N/A GLN 53.A NE2 TYR 351.A OH no hydrogen 3.204 N/A ALA 54.A N ARG 50.A O no hydrogen 2.999 N/A PHE 57.A N GLN 53.A O no hydrogen 2.955 N/A ALA 58.A N ALA 54.A O no hydrogen 2.948 N/A ILE 59.A N MET 55.A O no hydrogen 2.958 N/A GLU 60.A N ILE 56.A O no hydrogen 2.925 N/A GLU 61.A N PHE 57.A O no hydrogen 2.943 N/A ILE 62.A N ALA 58.A O no hydrogen 2.948 N/A ASN 63.A N ILE 59.A O no hydrogen 2.915 N/A ASN 63.A ND2 LEU 74.A O no hydrogen 3.431 N/A SER 64.A N GLU 60.A O no hydrogen 2.923 N/A SER 64.A OG GLU 60.A O no hydrogen 3.541 N/A SER 65.A N GLU 61.A O no hydrogen 2.943 N/A LEU 69.A N GLN 375.A OE1 no hydrogen 2.677 N/A LEU 74.A N ASN 63.A OD1 no hydrogen 3.214 N/A GLY 75.A N ILE 13.A O no hydrogen 2.623 N/A TYR 76.A N LYS 9.A O no hydrogen 3.110 N/A ARG 77.A N LEU 15.A O no hydrogen 2.972 N/A ARG 77.A NH2 SER 94.A OG no hydrogen 2.359 N/A ILE 78.A N ALA 7.A O no hydrogen 2.976 N/A PHE 79.A N GLY 17.A O no hydrogen 3.228 N/A THR 81.A N PHE 19.A O no hydrogen 3.164 N/A CYS 82.A N ASP 80.A OD1 no hydrogen 3.030 N/A CYS 82.A SG HIS 22.A ND1 no hydrogen 3.970 N/A CYS 82.A SG ASP 80.A OD2 no hydrogen 3.219 N/A ASN 83.A N THR 81.A OG1 no hydrogen 3.263 N/A ASN 83.A ND2 PHE 23.A O no hydrogen 3.652 N/A THR 84.A N THR 81.A O no hydrogen 3.189 N/A THR 84.A OG1 THR 81.A O no hydrogen 2.912 N/A LYS 87.A NZ VAL 39.A O no hydrogen 2.936 N/A LEU 89.A N VAL 85.A O no hydrogen 3.031 N/A GLU 90.A N SER 86.A O no hydrogen 3.369 N/A ALA 91.A N LYS 87.A O no hydrogen 3.487 N/A THR 92.A N ALA 88.A O no hydrogen 3.034 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.628 N/A LEU 93.A N LEU 89.A O no hydrogen 3.055 N/A SER 94.A N ALA 91.A O no hydrogen 3.070 N/A PHE 95.A N ALA 91.A O no hydrogen 3.200 N/A PHE 95.A N THR 92.A O no hydrogen 3.173 N/A GLN 98.A NE2 ASP 102.A OD1 no hydrogen 3.092 N/A LYS 100.A N VAL 96.A O no hydrogen 3.127 N/A ILE 101.A N ALA 97.A O no hydrogen 3.271 N/A ASP 102.A N GLN 98.A O no hydrogen 2.993 N/A SER 103.A N ASN 99.A O no hydrogen 2.634 N/A LEU 104.A N LYS 100.A O no hydrogen 2.683 N/A SER 108.A OG ASN 99.A OD1 no hydrogen 3.514 N/A VAL 112.A N PRO 134.A O no hydrogen 3.160 N/A VAL 113.A N GLY 16.A O no hydrogen 2.622 N/A GLY 114.A N VAL 136.A O no hydrogen 2.465 N/A THR 116.A OG1 TYR 138.A OH no hydrogen 3.348 N/A SER 121.A N GLY 117.A O no hydrogen 2.906 N/A SER 121.A OG GLY 117.A O no hydrogen 3.066 N/A SER 121.A OG SER 140.A OG no hydrogen 2.681 N/A THR 122.A N SER 118.A O no hydrogen 2.894 N/A THR 122.A OG1 SER 118.A O no hydrogen 2.927 N/A ALA 123.A N GLY 119.A O no hydrogen 3.285 N/A VAL 124.A N VAL 120.A O no hydrogen 2.943 N/A ALA 125.A N SER 121.A O no hydrogen 2.863 N/A ASN 126.A N THR 122.A O no hydrogen 2.977 N/A LEU 127.A N VAL 124.A O no hydrogen 3.296 N/A LEU 128.A N VAL 124.A O no hydrogen 2.917 N/A GLY 129.A N ALA 125.A O no hydrogen 2.912 N/A LEU 130.A N LEU 127.A O no hydrogen 3.383 N/A TYR 132.A N GLY 129.A O no hydrogen 3.438 N/A ILE 133.A N LEU 128.A O no hydrogen 3.218 N/A GLN 135.A N SER 153.A O no hydrogen 3.042 N/A VAL 136.A N VAL 112.A O no hydrogen 3.035 N/A SER 137.A N LEU 155.A O no hydrogen 2.905 N/A SER 137.A OG ALA 115.A O no hydrogen 3.133 N/A SER 137.A OG SER 140.A OG no hydrogen 3.334 N/A TYR 138.A OH LEU 18.A O no hydrogen 2.680 N/A TYR 138.A OH THR 116.A OG1 no hydrogen 3.348 N/A SER 140.A N SER 137.A OG no hydrogen 3.214 N/A SER 140.A OG THR 116.A O no hydrogen 3.224 N/A SER 140.A OG SER 121.A OG no hydrogen 2.681 N/A SER 140.A OG SER 137.A OG no hydrogen 3.334 N/A SER 141.A OG ASP 161.A OD1 no hydrogen 3.452 N/A SER 141.A OG ASP 161.A OD2 no hydrogen 2.733 N/A SER 142.A OG ASP 188.A O no hydrogen 3.083 N/A LEU 144.A N SER 142.A OG no hydrogen 3.258 N/A LEU 145.A N SER 142.A O no hydrogen 3.456 N/A SER 146.A N ARG 143.A O no hydrogen 3.263 N/A SER 146.A OG ASP 427.A OD2 no hydrogen 2.895 N/A LYS 148.A NZ LEU 145.A O no hydrogen 3.398 N/A LYS 148.A NZ PHE 154.A O no hydrogen 2.961 N/A LYS 148.A NZ CYS 425.A O no hydrogen 3.307 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 3.393 N/A ASN 149.A ND2 ASN 147.A OD1 no hydrogen 3.281 N/A GLN 150.A NE2 ASN 126.A OD1 no hydrogen 3.676 N/A PHE 151.A N ASN 147.A O no hydrogen 3.178 N/A SER 153.A OG ILE 133.A O no hydrogen 3.163 N/A LEU 155.A N GLN 135.A O no hydrogen 2.826 N/A ARG 156.A N GLY 426.A O no hydrogen 3.197 N/A ARG 156.A NE ASP 427.A OD1 no hydrogen 2.509 N/A ARG 156.A NH1 SER 140.A O no hydrogen 3.164 N/A ARG 156.A NH1 SER 142.A O no hydrogen 2.713 N/A ARG 156.A NH2 SER 142.A O no hydrogen 3.001 N/A ARG 156.A NH2 SER 146.A OG no hydrogen 2.930 N/A ARG 156.A NH2 ASP 427.A OD1 no hydrogen 3.407 N/A THR 157.A N SER 137.A O no hydrogen 3.031 N/A THR 157.A OG1 THR 157.A O no hydrogen 2.554 N/A ASN 160.A N ASN 160.A OD1 no hydrogen 2.579 N/A ALA 165.A N ASP 161.A O no hydrogen 2.928 N/A THR 166.A N GLU 162.A O no hydrogen 2.973 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.876 N/A ALA 167.A N HIS 163.A O no hydrogen 2.853 N/A MET 168.A N GLN 164.A O no hydrogen 2.990 N/A ASP 170.A N THR 166.A O no hydrogen 2.933 N/A ILE 171.A N ALA 167.A O no hydrogen 2.908 N/A ILE 172.A N MET 168.A O no hydrogen 2.983 N/A GLU 173.A N ALA 169.A O no hydrogen 2.897 N/A TYR 174.A N ASP 170.A O no hydrogen 2.886 N/A PHE 175.A N ILE 171.A O no hydrogen 2.995 N/A ARG 176.A N GLU 173.A O no hydrogen 3.217 N/A TRP 177.A N ILE 172.A O no hydrogen 3.386 N/A TRP 177.A NE1 PRO 481.A O no hydrogen 3.176 N/A TRP 179.A NE1 THR 234.A OG1 no hydrogen 3.033 N/A VAL 180.A N CYS 207.A O no hydrogen 3.199 N/A GLY 181.A N VAL 237.A O no hydrogen 2.995 N/A THR 182.A N PHE 210.A O no hydrogen 3.086 N/A THR 182.A OG1 PHE 210.A O no hydrogen 3.343 N/A ILE 183.A N VAL 239.A O no hydrogen 2.850 N/A ALA 184.A N GLU 212.A O no hydrogen 3.096 N/A ALA 185.A N PHE 241.A O no hydrogen 3.202 N/A ASP 186.A N ILE 214.A O no hydrogen 3.079 N/A TYR 189.A OH SER 267.A OG no hydrogen 3.174 N/A GLY 190.A N ASP 187.A OD1 no hydrogen 3.278 N/A ARG 191.A NH1 ASP 186.A OD1 no hydrogen 2.649 N/A ILE 194.A N GLY 190.A O no hydrogen 2.918 N/A GLU 195.A N ARG 191.A O no hydrogen 2.940 N/A LYS 196.A N PRO 192.A O no hydrogen 2.941 N/A LYS 196.A NZ GLU 200.A OE2 no hydrogen 3.095 N/A PHE 197.A N GLY 193.A O no hydrogen 2.938 N/A ARG 198.A N ILE 194.A O no hydrogen 2.893 N/A ARG 198.A NE GLU 195.A OE2 no hydrogen 3.543 N/A ARG 198.A NH2 GLU 195.A OE2 no hydrogen 3.156 N/A GLU 199.A N GLU 195.A O no hydrogen 2.994 N/A GLU 200.A N LYS 196.A O no hydrogen 2.990 N/A ALA 201.A N PHE 197.A O no hydrogen 2.858 N/A GLU 202.A N ARG 198.A O no hydrogen 2.942 N/A GLU 203.A N GLU 199.A O no hydrogen 2.970 N/A ARG 204.A N GLU 200.A O no hydrogen 2.965 N/A ARG 204.A N ALA 201.A O no hydrogen 2.984 N/A ARG 204.A NH1 GLU 200.A OE1 no hydrogen 2.782 N/A ARG 204.A NH2 ASP 170.A OD1 no hydrogen 2.809 N/A ASP 205.A N GLU 202.A O no hydrogen 3.461 N/A ILE 206.A N ALA 201.A O no hydrogen 3.120 N/A CYS 207.A N ASN 178.A O no hydrogen 3.232 N/A ASP 209.A N VAL 180.A O no hydrogen 2.723 N/A GLU 212.A N THR 182.A O no hydrogen 3.206 N/A ILE 214.A N ALA 184.A O no hydrogen 3.098 N/A TYR 217.A N SER 215.A OG no hydrogen 3.346 N/A SER 218.A OG SER 215.A O no hydrogen 3.555 N/A GLU 222.A N ASP 219.A OD1 no hydrogen 3.286 N/A ILE 223.A N ASP 219.A O no hydrogen 3.318 N/A GLN 224.A N GLU 220.A O no hydrogen 2.914 N/A GLN 224.A NE2 GLU 253.A OE2 no hydrogen 3.369 N/A HIS 225.A N GLU 221.A O no hydrogen 2.923 N/A VAL 226.A N GLU 222.A O no hydrogen 2.967 N/A VAL 227.A N ILE 223.A O no hydrogen 2.928 N/A GLU 228.A N GLN 224.A O no hydrogen 2.910 N/A VAL 229.A N HIS 225.A O no hydrogen 2.919 N/A ILE 230.A N VAL 226.A O no hydrogen 2.926 N/A GLN 231.A N VAL 227.A O no hydrogen 2.908 N/A ASN 232.A N GLU 228.A O no hydrogen 3.181 N/A SER 233.A N ILE 230.A O no hydrogen 3.396 N/A SER 233.A OG ASP 209.A OD2 no hydrogen 2.333 N/A ALA 235.A N SER 233.A OG no hydrogen 3.218 N/A ILE 238.A N ILE 263.A O no hydrogen 2.959 N/A VAL 239.A N GLY 181.A O no hydrogen 2.928 N/A VAL 240.A N LEU 265.A O no hydrogen 3.196 N/A PHE 241.A N ILE 183.A O no hydrogen 3.116 N/A SER 242.A OG SER 243.A O no hydrogen 3.065 N/A LEU 247.A N GLY 244.A O no hydrogen 3.159 N/A GLU 248.A N GLY 244.A O no hydrogen 2.929 N/A ILE 251.A N LEU 247.A O no hydrogen 3.225 N/A LYS 252.A N GLU 248.A O no hydrogen 2.925 N/A GLU 253.A N PRO 249.A O no hydrogen 2.951 N/A ILE 254.A N LEU 250.A O no hydrogen 2.904 N/A VAL 255.A N ILE 251.A O no hydrogen 2.891 N/A ARG 256.A N LYS 252.A O no hydrogen 2.932 N/A ARG 256.A NH2 GLU 253.A OE2 no hydrogen 2.926 N/A ARG 257.A N GLU 253.A O no hydrogen 3.047 N/A ARG 257.A NE GLU 253.A OE2 no hydrogen 3.478 N/A ASN 258.A N ILE 254.A O no hydrogen 2.616 N/A ILE 259.A N ILE 254.A O no hydrogen 3.438 N/A LYS 262.A NZ ALA 235.A O no hydrogen 3.315 N/A ILE 263.A N LYS 236.A O no hydrogen 2.877 N/A TRP 264.A NE1 VAL 284.A O no hydrogen 3.048 N/A LEU 265.A N ILE 238.A O no hydrogen 2.974 N/A ALA 266.A N ILE 289.A O no hydrogen 2.886 N/A SER 267.A OG TYR 189.A OH no hydrogen 3.174 N/A GLU 268.A N GLN 164.A OE1 no hydrogen 3.000 N/A SER 273.A N TRP 270.A O no hydrogen 3.507 N/A LEU 275.A N SER 273.A OG no hydrogen 3.291 N/A ALA 277.A N SER 273.A O no hydrogen 3.088 N/A MET 278.A N ILE 276.A O no hydrogen 2.927 N/A TYR 281.A N MET 278.A O no hydrogen 3.045 N/A VAL 284.A N TYR 281.A O no hydrogen 3.016 N/A VAL 285.A N TYR 281.A O no hydrogen 2.933 N/A THR 288.A OG1 VAL 285.A O no hydrogen 2.898 N/A ILE 289.A N TRP 264.A O no hydrogen 3.272 N/A GLY 290.A N ILE 435.A O no hydrogen 3.258 N/A ALA 292.A N SER 433.A O no hydrogen 2.859 N/A GLY 296.A N LEU 357.A O no hydrogen 3.091 N/A PHE 301.A N ILE 298.A O no hydrogen 3.311 N/A ARG 302.A NH2 ILE 352.A O no hydrogen 2.436 N/A GLU 303.A N GLU 303.A OE1 no hydrogen 2.546 N/A LEU 305.A N PHE 301.A O no hydrogen 2.908 N/A LYS 306.A N ARG 302.A O no hydrogen 2.927 N/A LYS 307.A N PHE 304.A O no hydrogen 3.316 N/A HIS 309.A NE2 GLY 340.A O no hydrogen 2.966 N/A ARG 311.A N HIS 309.A ND1 no hydrogen 3.250 N/A SER 313.A N HIS 309.A O no hydrogen 3.262 N/A SER 313.A OG HIS 309.A O no hydrogen 3.425 N/A GLY 317.A N ARG 6.A O no hydrogen 3.039 N/A PHE 318.A N ASN 316.A OD1 no hydrogen 3.485 N/A PHE 322.A N PHE 318.A O no hydrogen 2.955 N/A TRP 323.A N ALA 319.A O no hydrogen 2.882 N/A TRP 323.A NE1 GLU 342.A OE1 no hydrogen 3.196 N/A GLU 324.A N LYS 320.A O no hydrogen 2.974 N/A GLU 325.A N GLU 321.A O no hydrogen 2.889 N/A THR 326.A N PHE 322.A O no hydrogen 2.910 N/A THR 326.A OG1 PHE 322.A O no hydrogen 2.643 N/A PHE 327.A N TRP 323.A O no hydrogen 2.966 N/A ASN 328.A N GLU 324.A O no hydrogen 2.905 N/A CYS 329.A SG PHE 327.A O no hydrogen 3.953 N/A LEU 331.A N GLU 324.A OE2 no hydrogen 3.407 N/A CYS 338.A N HIS 330.A O no hydrogen 2.460 N/A THR 339.A N GLU 342.A OE2 no hydrogen 3.243 N/A GLY 340.A N THR 339.A OG1 no hydrogen 2.651 N/A SER 346.A N ASN 343.A O no hydrogen 3.336 N/A SER 346.A OG ASN 343.A O no hydrogen 3.556 N/A TYR 351.A OH LEU 305.A O no hydrogen 3.147 N/A ASP 353.A N THR 349.A O no hydrogen 3.252 N/A ARG 358.A NH1 LEU 293.A O no hydrogen 2.373 N/A TYR 361.A OH ASN 415.A OD1 no hydrogen 3.020 N/A ASN 362.A N ARG 358.A O no hydrogen 3.289 N/A ASN 362.A ND2 TYR 138.A O no hydrogen 3.369 N/A VAL 363.A N ILE 359.A O no hydrogen 2.955 N/A TYR 364.A N SER 360.A O no hydrogen 2.943 N/A TYR 364.A OH GLU 61.A OE1 no hydrogen 2.497 N/A LEU 365.A N TYR 361.A O no hydrogen 2.921 N/A ALA 366.A N ASN 362.A O no hydrogen 2.887 N/A VAL 367.A N VAL 363.A O no hydrogen 3.017 N/A TYR 368.A N TYR 364.A O no hydrogen 3.000 N/A SER 369.A N LEU 365.A O no hydrogen 2.890 N/A SER 369.A OG LEU 365.A O no hydrogen 2.698 N/A ALA 371.A N VAL 367.A O no hydrogen 3.040 N/A HIS 372.A N TYR 368.A O no hydrogen 2.903 N/A HIS 372.A ND1 TYR 368.A O no hydrogen 3.111 N/A ALA 373.A N SER 369.A O no hydrogen 2.938 N/A LEU 374.A N ILE 370.A O no hydrogen 2.966 N/A GLN 375.A N ALA 371.A O no hydrogen 2.949 N/A ASP 376.A N HIS 372.A O no hydrogen 2.890 N/A ILE 377.A N ALA 373.A O no hydrogen 2.971 N/A TYR 378.A N LEU 374.A O no hydrogen 2.891 N/A THR 379.A N GLN 375.A O no hydrogen 2.963 N/A THR 379.A OG1 GLN 375.A O no hydrogen 3.279 N/A CYS 380.A SG LEU 381.A O no hydrogen 3.762 N/A ARG 384.A N LEU 381.A O no hydrogen 2.979 N/A ARG 384.A NH1 PRO 382.A O no hydrogen 3.366 N/A GLY 385.A N GLY 390.A O no hydrogen 2.761 N/A GLY 390.A N PHE 387.A O no hydrogen 3.235 N/A CYS 392.A SG LEU 381.A O no hydrogen 3.158 N/A LYS 397.A N ASP 394.A O no hydrogen 3.201 N/A GLU 399.A N GLN 402.A OE1 no hydrogen 3.010 N/A TRP 401.A NE1 GLU 399.A OE1 no hydrogen 2.268 N/A VAL 403.A N GLU 399.A O no hydrogen 2.979 N/A LEU 404.A N ALA 400.A O no hydrogen 2.882 N/A LYS 405.A N TRP 401.A O no hydrogen 2.913 N/A HIS 406.A N GLN 402.A O no hydrogen 2.995 N/A LEU 407.A N VAL 403.A O no hydrogen 2.862 N/A ARG 408.A N LEU 404.A O no hydrogen 2.960 N/A ARG 408.A NH2 LYS 152.A O no hydrogen 2.857 N/A HIS 409.A N HIS 406.A O no hydrogen 3.302 N/A PHE 412.A N VAL 420.A O no hydrogen 3.298 N/A THR 413.A OG1 GLU 418.A O no hydrogen 3.374 N/A ASN 414.A N GLU 418.A O no hydrogen 2.980 N/A ASN 415.A ND2 GLN 297.A O no hydrogen 3.369 N/A MET 416.A N ASN 414.A OD1 no hydrogen 3.229 N/A GLY 417.A N ASN 414.A O no hydrogen 3.107 N/A GLU 418.A N ASN 414.A OD1 no hydrogen 2.996 N/A GLN 419.A NE2 ASN 411.A OD1 no hydrogen 2.789 N/A VAL 420.A N PHE 412.A O no hydrogen 2.821 N/A THR 421.A OG1 LEU 410.A O no hydrogen 2.910 N/A ASP 423.A N ASP 427.A O no hydrogen 3.389 N/A CYS 425.A SG SER 146.A O no hydrogen 3.552 N/A GLY 426.A N ASP 423.A O no hydrogen 3.000 N/A ASP 427.A N ASP 423.A OD1 no hydrogen 2.522 N/A TYR 432.A N TYR 454.A O no hydrogen 3.243 N/A SER 433.A N ALA 292.A O no hydrogen 2.974 N/A ILE 434.A N GLY 452.A O no hydrogen 3.136 N/A ILE 435.A N GLY 290.A O no hydrogen 3.171 N/A ASN 436.A N LYS 449.A O no hydrogen 2.789 N/A ASN 436.A ND2 THR 288.A O no hydrogen 3.114 N/A TRP 437.A N THR 288.A O no hydrogen 3.052 N/A TRP 437.A NE1 ALA 271.A O no hydrogen 3.131 N/A HIS 438.A N VAL 447.A O no hydrogen 2.817 N/A HIS 438.A NE2 ASN 436.A OD1 no hydrogen 3.060 N/A SER 440.A N SER 445.A O no hydrogen 2.901 N/A GLU 442.A N SER 440.A OG no hydrogen 3.383 N/A ASP 443.A N SER 440.A OG no hydrogen 3.180 N/A GLY 444.A N SER 440.A O no hydrogen 3.251 N/A VAL 447.A N HIS 438.A O no hydrogen 2.994 N/A LYS 449.A N ASN 436.A O no hydrogen 3.019 N/A VAL 451.A N ILE 434.A O no hydrogen 2.871 N/A TYR 453.A N PHE 465.A O no hydrogen 3.142 N/A TYR 454.A N TYR 432.A O no hydrogen 3.034 N/A TYR 454.A OH ASP 170.A OD2 no hydrogen 3.242 N/A ASN 455.A N ARG 463.A O no hydrogen 2.819 N/A TYR 457.A N ASN 455.A OD1 no hydrogen 3.100 N/A GLU 462.A N LYS 459.A O no hydrogen 3.106 N/A ARG 463.A NE ALA 458.A O no hydrogen 3.226 N/A ARG 463.A NH2 ALA 458.A O no hydrogen 3.509 N/A PHE 465.A N TYR 453.A O no hydrogen 3.255 N/A ASN 467.A N VAL 451.A O no hydrogen 2.818 N/A LYS 470.A N ASN 467.A O no hydrogen 3.352 N/A ILE 471.A N GLU 468.A O no hydrogen 3.427 N/A LEU 472.A N ASN 436.A OD1 no hydrogen 3.165 N/A TRP 473.A N SER 477.A O no hydrogen 3.141 N/A ARG 478.A NH1 GLU 468.A O no hydrogen 3.363 N/A ARG 478.A NH1 ILE 471.A O no hydrogen 2.763 N/A ARG 478.A NH2 GLU 468.A OE1 no hydrogen 3.558 N/A SER 483.A OG TRP 179.A O no hydrogen 2.775 N/A SER 486.A OG CYS 504.A O no hydrogen 3.377 N/A CYS 489.A SG ARG 494.A O no hydrogen 3.598 N/A LEU 490.A N THR 493.A OG1 no hydrogen 3.114 N/A THR 493.A OG1 LEU 490.A O no hydrogen 3.484 N/A ARG 494.A N VAL 509.A O no hydrogen 2.701 N/A ARG 494.A NH1 LYS 495.A O no hydrogen 2.325 N/A LYS 495.A N ALA 522.A O no hydrogen 3.198 N/A GLU 501.A N ILE 498.A O no hydrogen 3.348 N/A CYS 504.A SG ASN 178.A O no hydrogen 3.665 N/A CYS 505.A N PRO 502.A O no hydrogen 3.220 N/A GLU 507.A N GLY 496.A O no hydrogen 3.166 N/A VAL 509.A N ARG 494.A O no hydrogen 2.757 N/A CYS 511.A N GLY 492.A O no hydrogen 3.206 N/A CYS 511.A SG GLY 492.A O no hydrogen 3.541 N/A CYS 511.A SG SER 517.A OG no hydrogen 3.601 N/A TYR 516.A N ASN 526.A O no hydrogen 2.828 N/A SER 517.A N HIS 538.A O no hydrogen 3.171 N/A SER 517.A OG ALA 491.A O no hydrogen 2.635 N/A ASN 526.A N TYR 516.A O no hydrogen 2.675 N/A TRP 533.A N ILE 542.A O no hydrogen 3.285 N/A SER 534.A OG ASN 535.A O no hydrogen 3.143 N/A HIS 538.A N ASN 535.A O no hydrogen 3.428 N/A THR 539.A OG1 ASN 537.A O no hydrogen 3.226 N/A ILE 542.A N TRP 533.A O no hydrogen 3.138 N/A LYS 544.A NZ ASP 683.A O no hydrogen 3.031 N/A GLU 547.A N ILE 686.A O no hydrogen 3.226 N/A ILE 557.A N GLU 553.A O no hydrogen 3.305 N/A ALA 558.A N PRO 554.A O no hydrogen 2.908 N/A LEU 559.A N PHE 555.A O no hydrogen 2.975 N/A THR 560.A N GLY 556.A O no hydrogen 2.892 N/A THR 560.A OG1 GLY 556.A O no hydrogen 2.800 N/A LEU 561.A N ILE 557.A O no hydrogen 2.899 N/A PHE 562.A N ALA 558.A O no hydrogen 2.955 N/A ALA 563.A N LEU 559.A O no hydrogen 2.974 N/A VAL 564.A N THR 560.A O no hydrogen 2.912 N/A LEU 565.A N LEU 561.A O no hydrogen 2.910 N/A GLY 566.A N PHE 562.A O no hydrogen 2.982 N/A ILE 567.A N ALA 563.A O no hydrogen 2.959 N/A PHE 568.A N VAL 564.A O no hydrogen 2.930 N/A LEU 569.A N LEU 565.A O no hydrogen 2.959 N/A THR 570.A N GLY 566.A O no hydrogen 3.012 N/A THR 570.A OG1 GLY 566.A O no hydrogen 3.152 N/A ALA 571.A N ILE 567.A O no hydrogen 3.006 N/A PHE 572.A N PHE 568.A O no hydrogen 2.992 N/A VAL 573.A N LEU 569.A O no hydrogen 3.117 N/A LEU 574.A N THR 570.A O no hydrogen 2.902 N/A GLY 575.A N ALA 571.A O no hydrogen 2.813 N/A VAL 576.A N PHE 572.A O no hydrogen 2.867 N/A PHE 577.A N VAL 573.A O no hydrogen 3.075 N/A ILE 578.A N LEU 574.A O no hydrogen 2.805 N/A LYS 579.A N GLY 575.A O no hydrogen 2.886 N/A PHE 580.A N VAL 576.A O no hydrogen 3.010 N/A THR 583.A N PHE 580.A O no hydrogen 3.192 N/A THR 583.A OG1 PHE 580.A O no hydrogen 2.639 N/A LYS 587.A N THR 583.A O no hydrogen 2.835 N/A ALA 588.A N ILE 585.A O no hydrogen 3.112 N/A ASN 590.A ND2 GLN 649.A OE1 no hydrogen 3.196 N/A LEU 593.A N ASN 590.A O no hydrogen 3.071 N/A SER 594.A N ASN 590.A O no hydrogen 3.093 N/A SER 594.A OG ASN 590.A O no hydrogen 3.375 N/A TYR 595.A N ARG 591.A O no hydrogen 3.012 N/A LEU 597.A N LEU 593.A O no hydrogen 2.951 N/A LEU 598.A N SER 594.A O no hydrogen 2.930 N/A PHE 599.A N TYR 595.A O no hydrogen 2.928 N/A SER 600.A N LEU 596.A O no hydrogen 2.931 N/A SER 600.A OG LEU 596.A O no hydrogen 3.255 N/A LEU 601.A N LEU 597.A O no hydrogen 2.977 N/A LEU 602.A N LEU 598.A O no hydrogen 3.244 N/A CYS 603.A N PHE 599.A O no hydrogen 3.086 N/A CYS 603.A SG PHE 599.A O no hydrogen 3.205 N/A CYS 604.A N SER 600.A O no hydrogen 2.900 N/A CYS 604.A SG SER 600.A O no hydrogen 3.346 N/A CYS 604.A SG SER 630.A OG no hydrogen 3.111 N/A PHE 605.A N LEU 601.A O no hydrogen 2.943 N/A SER 606.A N LEU 602.A O no hydrogen 3.011 N/A SER 606.A OG LEU 602.A O no hydrogen 2.794 N/A SER 607.A N CYS 603.A O no hydrogen 3.145 N/A SER 607.A N CYS 604.A O no hydrogen 3.046 N/A SER 608.A N PHE 605.A O no hydrogen 3.286 N/A LEU 609.A N SER 606.A O no hydrogen 3.183 N/A PHE 610.A N SER 607.A O no hydrogen 3.179 N/A PHE 611.A N SER 608.A O no hydrogen 2.791 N/A GLY 613.A N LEU 549.A O no hydrogen 3.242 N/A CYS 620.A N GLN 616.A O no hydrogen 2.884 N/A CYS 620.A SG SER 674.A O no hydrogen 3.898 N/A ARG 621.A N ASP 617.A O no hydrogen 2.919 N/A LEU 622.A N TRP 618.A O no hydrogen 2.905 N/A LEU 622.A N THR 619.A O no hydrogen 3.134 N/A ARG 623.A NH2 PHE 611.A O no hydrogen 3.535 N/A PHE 627.A N GLN 624.A O no hydrogen 3.188 N/A GLY 628.A N GLN 624.A O no hydrogen 2.984 N/A ILE 629.A N PRO 625.A O no hydrogen 2.914 N/A SER 630.A OG ALA 626.A O no hydrogen 3.146 N/A SER 630.A OG PHE 627.A O no hydrogen 2.949 N/A PHE 631.A N PHE 627.A O no hydrogen 2.954 N/A VAL 632.A N GLY 628.A O no hydrogen 2.953 N/A LEU 633.A N ILE 629.A O no hydrogen 2.923 N/A CYS 634.A N SER 630.A O no hydrogen 2.951 N/A CYS 634.A SG SER 630.A O no hydrogen 3.803 N/A ILE 635.A N PHE 631.A O no hydrogen 2.925 N/A SER 636.A N VAL 632.A O no hydrogen 2.892 N/A SER 636.A OG VAL 632.A O no hydrogen 2.933 N/A CYS 637.A N LEU 633.A O no hydrogen 2.941 N/A CYS 637.A SG LEU 633.A O no hydrogen 3.177 N/A ILE 638.A N CYS 634.A O no hydrogen 2.989 N/A LEU 639.A N ILE 635.A O no hydrogen 2.882 N/A VAL 640.A N SER 636.A O no hydrogen 3.043 N/A LYS 641.A N ILE 638.A O no hydrogen 3.128 N/A THR 642.A N LEU 639.A O no hydrogen 2.975 N/A THR 642.A OG1 LEU 639.A O no hydrogen 2.685 N/A LEU 651.A N ASN 647.A O no hydrogen 2.874 N/A LEU 652.A N LEU 648.A O no hydrogen 2.911 N/A VAL 653.A N GLN 649.A O no hydrogen 3.216 N/A PHE 654.A N PHE 650.A O no hydrogen 3.094 N/A LEU 655.A N LEU 651.A O no hydrogen 2.785 N/A CYS 656.A N LEU 652.A O no hydrogen 2.976 N/A CYS 656.A SG LEU 652.A O no hydrogen 3.605 N/A THR 657.A N VAL 653.A O no hydrogen 3.004 N/A THR 657.A OG1 VAL 653.A O no hydrogen 3.299 N/A PHE 658.A N PHE 654.A O no hydrogen 2.885 N/A MET 659.A N LEU 655.A O no hydrogen 3.213 N/A ILE 661.A N THR 657.A O no hydrogen 3.010 N/A VAL 662.A N PHE 658.A O no hydrogen 3.089 N/A ILE 663.A N MET 659.A O no hydrogen 3.114 N/A CYS 664.A N GLN 660.A O no hydrogen 3.009 N/A CYS 664.A SG GLN 660.A O no hydrogen 3.352 N/A VAL 665.A N ILE 661.A O no hydrogen 2.954 N/A ILE 666.A N VAL 662.A O no hydrogen 2.913 N/A TRP 667.A N ILE 663.A O no hydrogen 3.055 N/A LEU 668.A N CYS 664.A O no hydrogen 3.178 N/A TYR 669.A N VAL 665.A O no hydrogen 3.270 N/A ALA 671.A N TRP 667.A O no hydrogen 2.847 N/A SER 675.A N ASP 617.A OD1 no hydrogen 3.062 N/A SER 675.A OG ASP 617.A OD1 no hydrogen 2.934 N/A TYR 676.A N THR 689.A O no hydrogen 3.071 N/A ASN 678.A N PHE 687.A O no hydrogen 2.560 N/A GLU 680.A N ASN 678.A OD1 no hydrogen 3.161 N/A ILE 686.A N GLU 545.A O no hydrogen 3.072 N/A PHE 687.A N ASN 678.A O no hydrogen 3.323 N/A THR 689.A N TYR 676.A O no hydrogen 3.019 N/A CYS 690.A N THR 689.A OG1 no hydrogen 2.648 N/A GLY 699.A N LEU 695.A O no hydrogen 2.947 N/A PHE 700.A N MET 696.A O no hydrogen 3.000 N/A LEU 701.A N ALA 697.A O no hydrogen 2.883 N/A ILE 702.A N LEU 698.A O no hydrogen 3.025 N/A ILE 702.A N GLY 699.A O no hydrogen 3.272 N/A GLY 703.A N GLY 699.A O no hydrogen 2.852 N/A TYR 704.A N PHE 700.A O no hydrogen 2.980 N/A TYR 704.A OH CYS 656.A O no hydrogen 3.296 N/A THR 705.A OG1 LEU 701.A O no hydrogen 2.943 N/A CYS 706.A N ILE 702.A O no hydrogen 2.913 N/A CYS 706.A SG ILE 702.A O no hydrogen 3.216 N/A LEU 707.A N GLY 703.A O no hydrogen 2.905 N/A LEU 708.A N TYR 704.A O no hydrogen 2.978 N/A ALA 709.A N THR 705.A O no hydrogen 2.984 N/A ALA 710.A N CYS 706.A O no hydrogen 2.876 N/A ILE 711.A N LEU 707.A O no hydrogen 3.006 N/A CYS 712.A N LEU 708.A O no hydrogen 3.329 N/A PHE 713.A N ALA 709.A O no hydrogen 3.009 N/A PHE 714.A N ALA 710.A O no hydrogen 3.045 N/A PHE 715.A N ILE 711.A O no hydrogen 3.249 N/A ALA 716.A N CYS 712.A O no hydrogen 3.127 N/A PHE 717.A N PHE 713.A O no hydrogen 2.712 N/A LYS 718.A N PHE 714.A O no hydrogen 2.882 N/A SER 719.A N ALA 716.A O no hydrogen 2.833 N/A GLU 724.A N LEU 722.A O no hydrogen 2.877 N/A GLU 728.A N GLU 724.A O no hydrogen 3.097 N/A LYS 730.A N ASN 727.A O no hydrogen 3.223 N/A PHE 731.A N GLU 728.A O no hydrogen 2.956 N/A ILE 732.A N GLU 728.A O no hydrogen 3.188 N/A THR 733.A OG1 LYS 730.A O no hydrogen 3.119 N/A SER 735.A N PHE 731.A O no hydrogen 3.040 N/A SER 735.A OG ILE 732.A O no hydrogen 2.714 N/A MET 736.A N ILE 732.A O no hydrogen 3.024 N/A LEU 737.A N THR 733.A O no hydrogen 2.914 N/A ILE 738.A N PHE 734.A O no hydrogen 2.878 N/A PHE 739.A N SER 735.A O no hydrogen 2.987 N/A PHE 740.A N MET 736.A O no hydrogen 2.992 N/A ILE 741.A N LEU 737.A O no hydrogen 2.844 N/A VAL 742.A N ILE 738.A O no hydrogen 2.902 N/A TRP 743.A N PHE 739.A O no hydrogen 3.084 N/A ILE 744.A N PHE 740.A O no hydrogen 2.921 N/A SER 745.A N ILE 741.A O no hydrogen 2.867 N/A PHE 746.A N VAL 742.A O no hydrogen 2.936 N/A ILE 747.A N ILE 744.A O no hydrogen 3.221 N/A TYR 750.A N PHE 746.A O no hydrogen 3.491 N/A ALA 751.A N ILE 747.A O no hydrogen 3.285 N/A ALA 751.A N PRO 748.A O no hydrogen 3.113 N/A SER 752.A N ALA 749.A O no hydrogen 3.211 N/A SER 752.A OG ALA 749.A O no hydrogen 3.344 N/A THR 753.A N ALA 749.A O no hydrogen 3.314 N/A THR 753.A OG1 ALA 749.A O no hydrogen 2.662 N/A LYS 756.A NZ GLU 553.A OE1 no hydrogen 2.803 N/A LYS 756.A NZ GLU 553.A OE2 no hydrogen 2.576 N/A SER 759.A OG LYS 756.A O no hydrogen 3.323 N/A VAL 761.A N PHE 757.A O no hydrogen 2.985 N/A GLU 762.A N VAL 758.A O no hydrogen 2.972 N/A VAL 763.A N SER 759.A O no hydrogen 2.905 N/A ILE 764.A N ALA 760.A O no hydrogen 2.921 N/A ALA 765.A N VAL 761.A O no hydrogen 2.942 N/A ILE 766.A N GLU 762.A O no hydrogen 2.958 N/A LEU 767.A N VAL 763.A O no hydrogen 2.935 N/A ALA 768.A N ILE 764.A O no hydrogen 2.912 N/A ALA 769.A N ALA 765.A O no hydrogen 2.968 N/A SER 770.A N ILE 766.A O no hydrogen 2.943 N/A SER 770.A OG ILE 766.A O no hydrogen 2.754 N/A PHE 771.A N LEU 767.A O no hydrogen 2.928 N/A GLY 772.A N ALA 768.A O no hydrogen 2.956 N/A LEU 773.A N ALA 769.A O no hydrogen 2.936 N/A LEU 774.A N SER 770.A O no hydrogen 2.938 N/A ALA 775.A N PHE 771.A O no hydrogen 2.970 N/A CYS 776.A N GLY 772.A O no hydrogen 2.935 N/A CYS 776.A SG PHE 731.A O no hydrogen 4.024 N/A CYS 776.A SG GLY 772.A O no hydrogen 3.163 N/A PHE 778.A N LEU 774.A O no hydrogen 3.042 N/A ILE 782.A N PHE 778.A O no hydrogen 3.167 N/A TYR 783.A N PHE 779.A O no hydrogen 2.895 N/A ILE 785.A N ILE 782.A O no hydrogen 3.102 N/A LEU 786.A N ILE 782.A O no hydrogen 2.899 N/A ARG 791.A N LYS 788.A O no hydrogen 3.121 N/A THR 793.A OG1 SER 790.A O no hydrogen 2.875 N/A CYS 799.A SG ILE 794.A O no hydrogen 3.191 N/A