Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5is5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N VAL 2.A O no hydrogen 3.451 N/A ASN 7.A N LYS 3.A O no hydrogen 3.018 N/A SER 8.A N LYS 4.A O no hydrogen 3.017 N/A GLN 9.A N LEU 5.A O no hydrogen 3.016 N/A ILE 10.A N ILE 6.A O no hydrogen 3.033 N/A SER 11.A N ASN 7.A O no hydrogen 3.077 N/A SER 11.A OG ASN 7.A O no hydrogen 3.364 N/A LEU 12.A N SER 8.A O no hydrogen 3.267 N/A LEU 13.A N GLN 9.A O no hydrogen 2.875 N/A ILE 14.A N ILE 10.A O no hydrogen 2.813 N/A LYS 16.A N SER 11.A O no hydrogen 3.187 N/A LEU 18.A N SER 11.A OG no hydrogen 2.918 N/A GLU 20.A N GLY 17.A O no hydrogen 3.274 N/A SER 23.A N HIS 19.A O no hydrogen 3.123 N/A SER 23.A OG HIS 19.A O no hydrogen 2.872 N/A LEU 24.A N PHE 21.A O no hydrogen 3.315 N/A ARG 25.A N ASP 22.A O no hydrogen 3.044 N/A VAL 29.A N ASP 26.A OD2 no hydrogen 3.109 N/A ASN 30.A N ASP 26.A O no hydrogen 3.138 N/A ASP 31.A N PRO 27.A O no hydrogen 2.821 N/A PHE 32.A N GLU 28.A O no hydrogen 3.155 N/A ARG 33.A N VAL 29.A O no hydrogen 3.326 N/A ARG 33.A NE GLU 444.A OE1 no hydrogen 2.940 N/A ARG 33.A NE GLU 444.A OE2 no hydrogen 3.442 N/A ARG 33.A NH1 ASP 22.A OD1 no hydrogen 3.027 N/A ARG 33.A NH1 ASP 22.A OD2 no hydrogen 3.483 N/A ARG 33.A NH2 GLU 444.A OE1 no hydrogen 3.527 N/A ARG 33.A NH2 GLU 444.A OE2 no hydrogen 3.234 N/A THR 34.A N ASN 30.A O no hydrogen 3.095 N/A THR 34.A OG1 ASN 30.A O no hydrogen 2.933 N/A THR 34.A OG1 ASP 31.A O no hydrogen 3.272 N/A LYS 35.A N ASP 31.A O no hydrogen 3.082 N/A MET 36.A N PHE 32.A O no hydrogen 2.805 N/A ARG 37.A N ARG 33.A O no hydrogen 2.991 N/A ARG 37.A NE GLU 41.A OE2 no hydrogen 3.184 N/A PHE 39.A N LYS 35.A O no hydrogen 3.268 N/A CYS 40.A N MET 36.A O no hydrogen 3.092 N/A CYS 40.A SG MET 36.A O no hydrogen 3.180 N/A CYS 40.A SG ALA 445.A O no hydrogen 3.170 N/A GLU 41.A N ARG 37.A O no hydrogen 2.905 N/A GLU 42.A N GLN 38.A O no hydrogen 3.076 N/A ALA 44.A N CYS 40.A O no hydrogen 3.137 N/A ALA 45.A N GLU 41.A O no hydrogen 3.112 N/A HIS 46.A N GLU 42.A O no hydrogen 3.188 N/A ARG 47.A N ALA 43.A O no hydrogen 3.202 N/A ARG 47.A N ALA 44.A O no hydrogen 3.320 N/A ARG 47.A NH1 GLY 449.A O no hydrogen 2.845 N/A ARG 47.A NH2 GLY 449.A O no hydrogen 2.688 N/A GLN 48.A N ALA 44.A O no hydrogen 3.243 N/A GLN 49.A NE2 ALA 45.A O no hydrogen 3.449 N/A GLY 51.A N GLU 54.A OE1 no hydrogen 3.132 N/A TRP 55.A N GLY 51.A O no hydrogen 2.898 N/A LEU 56.A N TRP 52.A O no hydrogen 3.265 N/A GLN 57.A N VAL 53.A O no hydrogen 3.375 N/A TYR 58.A N GLU 54.A O no hydrogen 3.262 N/A TYR 58.A N TRP 55.A O no hydrogen 2.922 N/A SER 59.A N TRP 55.A O no hydrogen 2.912 N/A PHE 60.A N LEU 56.A O no hydrogen 2.830 N/A GLU 65.A N HIS 130.A O no hydrogen 2.726 N/A LEU 70.A N VAL 87.A O no hydrogen 2.881 N/A VAL 72.A N PHE 85.A O no hydrogen 3.036 N/A ASN 73.A N PRO 144.A O no hydrogen 2.903 N/A ASN 73.A ND2 HIS 145.A ND1 no hydrogen 3.264 N/A VAL 74.A N PHE 83.A O no hydrogen 2.952 N/A LYS 75.A N LEU 146.A O no hydrogen 2.844 N/A LYS 75.A NZ SER 79.A O no hydrogen 2.779 N/A PHE 83.A N VAL 74.A O no hydrogen 3.092 N/A PHE 85.A N VAL 72.A O no hydrogen 2.754 N/A VAL 87.A N LEU 70.A O no hydrogen 3.027 N/A SER 88.A N ASP 91.A OD2 no hydrogen 2.947 N/A THR 89.A N ARG 68.A O no hydrogen 2.916 N/A ASP 91.A N SER 88.A O no hydrogen 3.282 N/A MET 97.A N PRO 93.A O no hydrogen 2.880 N/A ALA 98.A N LEU 94.A O no hydrogen 3.117 N/A CYS 99.A N ALA 95.A O no hydrogen 3.269 N/A CYS 99.A SG ALA 95.A O no hydrogen 3.832 N/A ALA 100.A N LEU 96.A O no hydrogen 3.260 N/A LEU 101.A N MET 97.A O no hydrogen 3.077 N/A ARG 102.A N ALA 98.A O no hydrogen 2.909 N/A LYS 103.A N CYS 99.A O no hydrogen 2.953 N/A GLU 110.A N GLN 107.A O no hydrogen 3.485 N/A TYR 111.A N PRO 108.A O no hydrogen 3.172 N/A ALA 112.A N VAL 149.A O no hydrogen 3.078 N/A LEU 113.A N LEU 122.A O no hydrogen 3.222 N/A GLN 114.A N THR 147.A O no hydrogen 2.750 N/A GLN 114.A NE2 ARG 118.A O no hydrogen 2.732 N/A VAL 115.A N GLU 120.A O no hydrogen 2.978 N/A ASN 116.A N HIS 145.A O no hydrogen 3.159 N/A ARG 118.A N VAL 115.A O no hydrogen 3.100 N/A ARG 118.A NH2 SER 513.A OG no hydrogen 3.346 N/A ARG 118.A NH2 THR 514.A OG1 no hydrogen 2.846 N/A HIS 119.A N SER 513.A O no hydrogen 2.761 N/A LEU 122.A N LEU 113.A O no hydrogen 2.582 N/A TYR 123.A OH PHE 60.A O no hydrogen 2.957 N/A TYR 126.A N GLY 124.A O no hydrogen 3.070 N/A LEU 128.A N ASP 91.A O no hydrogen 2.801 N/A CYS 129.A N THR 89.A O no hydrogen 2.947 N/A HIS 130.A N PRO 127.A O no hydrogen 2.888 N/A PHE 131.A N LEU 128.A O no hydrogen 3.397 N/A GLN 132.A N GLN 63.A O no hydrogen 2.800 N/A CYS 135.A N PHE 131.A O no hydrogen 2.992 N/A CYS 135.A SG CYS 129.A O no hydrogen 3.589 N/A SER 136.A N GLN 132.A O no hydrogen 3.141 N/A CYS 137.A N TYR 133.A O no hydrogen 3.148 N/A CYS 137.A SG LEU 142.A O no hydrogen 3.398 N/A LEU 138.A N ILE 134.A O no hydrogen 3.227 N/A HIS 139.A N CYS 135.A O no hydrogen 3.504 N/A SER 140.A N SER 136.A O no hydrogen 2.963 N/A GLY 141.A N CYS 137.A O no hydrogen 2.895 N/A THR 143.A OG1 LEU 71.A O no hydrogen 2.815 N/A HIS 145.A N TYR 133.A OH no hydrogen 2.860 N/A LEU 146.A N ASN 73.A O no hydrogen 2.835 N/A THR 147.A N GLN 114.A O no hydrogen 2.771 N/A THR 147.A OG1 ASN 116.A OD1 no hydrogen 2.662 N/A MET 148.A N LYS 75.A O no hydrogen 2.704 N/A VAL 149.A N ALA 112.A O no hydrogen 3.122 N/A SER 151.A N GLU 110.A O no hydrogen 2.893 N/A SER 153.A N HIS 150.A O no hydrogen 3.189 N/A ILE 154.A N HIS 150.A O no hydrogen 3.174 N/A LEU 155.A N SER 151.A O no hydrogen 2.887 N/A ALA 156.A N SER 152.A O no hydrogen 3.194 N/A MET 157.A N ILE 154.A O no hydrogen 3.046 N/A ARG 158.A N ILE 154.A O no hydrogen 3.369 N/A ASP 159.A N LEU 155.A O no hydrogen 3.070 N/A GLU 160.A N ALA 156.A O no hydrogen 3.061 N/A GLN 161.A N MET 157.A O no hydrogen 3.087 N/A GLN 161.A N ARG 158.A O no hydrogen 3.244 N/A PHE 170.A N ILE 210.A O no hydrogen 2.916 N/A ILE 173.A N VAL 277.A O no hydrogen 2.698 N/A LYS 175.A NZ GLU 271.A O no hydrogen 2.816 N/A VAL 183.A N TYR 226.A O no hydrogen 3.396 N/A GLN 185.A N ALA 224.A O no hydrogen 3.074 N/A ALA 186.A N VAL 199.A O no hydrogen 3.112 N/A GLY 187.A N CYS 222.A O no hydrogen 3.172 N/A PHE 189.A N ARG 220.A O no hydrogen 2.889 N/A HIS 190.A N GLU 193.A O no hydrogen 3.094 N/A LEU 195.A N LEU 188.A O no hydrogen 2.648 N/A SER 201.A N VAL 184.A O no hydrogen 2.750 N/A CYS 205.A SG MET 180.A O no hydrogen 3.345 N/A ILE 210.A N PHE 208.A O no hydrogen 2.813 N/A VAL 212.A N GLN 168.A O no hydrogen 3.062 N/A CYS 213.A N LEU 166.A O no hydrogen 3.166 N/A CYS 213.A SG LEU 166.A O no hydrogen 3.543 N/A ASP 214.A N SER 211.A O no hydrogen 3.183 N/A ARG 217.A NH1 ARG 217.A O no hydrogen 3.313 N/A ARG 217.A NH1 TYR 399.A OH no hydrogen 3.146 N/A ARG 217.A NH2 ASP 240.A O no hydrogen 3.530 N/A ALA 219.A N PRO 216.A O no hydrogen 3.320 N/A ARG 220.A N PHE 189.A O no hydrogen 2.871 N/A ARG 220.A NH1 PRO 260.A O no hydrogen 2.804 N/A LEU 221.A N LEU 236.A O no hydrogen 2.808 N/A CYS 222.A N GLY 187.A O no hydrogen 2.946 N/A CYS 222.A SG ASN 235.A OD1 no hydrogen 3.320 N/A PHE 223.A N ALA 234.A O no hydrogen 2.766 N/A LEU 225.A N ALA 232.A O no hydrogen 2.819 N/A TYR 226.A N VAL 183.A O no hydrogen 3.098 N/A CYS 229.A N ALA 227.A O no hydrogen 2.996 N/A ILE 231.A N LEU 225.A O no hydrogen 2.905 N/A TRP 233.A N TRP 255.A O no hydrogen 2.973 N/A ALA 234.A N PHE 223.A O no hydrogen 3.117 N/A ASN 235.A ND2 ASN 259.A O no hydrogen 2.726 N/A ASN 235.A ND2 GLY 262.A O no hydrogen 2.646 N/A LEU 236.A N LEU 221.A O no hydrogen 3.086 N/A LEU 238.A N ALA 219.A O no hydrogen 3.465 N/A ASP 240.A N GLN 244.A O no hydrogen 2.897 N/A TYR 241.A OH ASP 31.A OD2 no hydrogen 2.691 N/A ASP 243.A N ASP 240.A O no hydrogen 2.956 N/A GLN 244.A N ASP 240.A OD1 no hydrogen 3.275 N/A LEU 245.A N VAL 285.A O no hydrogen 2.935 N/A LYS 246.A N LEU 238.A O no hydrogen 2.808 N/A THR 247.A OG1 LEU 245.A O no hydrogen 3.355 N/A GLY 248.A N LEU 280.A O no hydrogen 2.700 N/A ARG 250.A N ILE 278.A O no hydrogen 3.235 N/A ARG 250.A NH1 THR 247.A O no hydrogen 2.739 N/A LEU 252.A N LEU 276.A O no hydrogen 2.777 N/A MET 254.A N ALA 274.A O no hydrogen 2.821 N/A TRP 255.A N TRP 233.A O no hydrogen 2.863 N/A TRP 255.A NE1 ARG 265.A O no hydrogen 3.209 N/A SER 257.A N ILE 231.A O no hydrogen 3.222 N/A ASN 267.A N TYR 253.A O no hydrogen 3.026 N/A ASN 267.A ND2 MET 254.A O no hydrogen 3.207 N/A ASN 269.A N ASN 267.A OD1 no hydrogen 3.079 N/A THR 270.A N PRO 268.A O no hydrogen 2.755 N/A SER 272.A N ASN 269.A OD1 no hydrogen 3.222 N/A ALA 275.A N ARG 174.A O no hydrogen 3.321 N/A LEU 276.A N LEU 252.A O no hydrogen 2.808 N/A ILE 278.A N ARG 250.A O no hydrogen 3.049 N/A LEU 280.A N GLY 248.A O no hydrogen 3.163 N/A PHE 287.A N ASP 243.A O no hydrogen 3.030 N/A ILE 293.A N ALA 289.A O no hydrogen 3.055 N/A LEU 294.A N LEU 290.A O no hydrogen 2.987 N/A GLU 295.A N GLU 291.A O no hydrogen 3.255 N/A LEU 296.A N ILE 293.A O no hydrogen 3.084 N/A GLY 297.A N ILE 293.A O no hydrogen 3.040 N/A LYS 303.A N TYR 299.A O no hydrogen 2.892 N/A ASP 304.A N GLU 300.A O no hydrogen 3.125 N/A LEU 305.A N HIS 301.A O no hydrogen 3.009 N/A VAL 306.A N GLU 302.A O no hydrogen 3.226 N/A TRP 307.A N LYS 303.A O no hydrogen 3.207 N/A LYS 308.A N ASP 304.A O no hydrogen 3.196 N/A MET 309.A N LEU 305.A O no hydrogen 3.112 N/A VAL 313.A N MET 309.A O no hydrogen 2.781 N/A GLN 314.A NE2 LEU 342.A O no hydrogen 2.799 N/A HIS 316.A N GLU 312.A O no hydrogen 2.718 N/A ALA 320.A N PHE 317.A O no hydrogen 3.154 N/A ARG 323.A N ALA 320.A O no hydrogen 2.911 N/A LEU 324.A N ALA 320.A O no hydrogen 3.349 N/A LEU 325.A N LEU 321.A O no hydrogen 2.879 N/A LEU 326.A N ALA 322.A O no hydrogen 3.159 N/A VAL 327.A N LEU 324.A O no hydrogen 3.297 N/A THR 328.A N LEU 324.A O no hydrogen 3.120 N/A TRP 330.A NE1 LEU 325.A O no hydrogen 3.001 N/A ASN 331.A ND2 LEU 195.A O no hydrogen 3.454 N/A LYS 332.A N LYS 329.A O no hydrogen 3.466 N/A HIS 333.A N ASP 214.A OD2 no hydrogen 3.236 N/A HIS 333.A ND1 ASP 214.A OD2 no hydrogen 3.165 N/A ASP 335.A N LYS 332.A O no hydrogen 3.108 N/A VAL 336.A N LYS 332.A O no hydrogen 3.347 N/A ALA 337.A N HIS 333.A O no hydrogen 3.257 N/A MET 339.A N ASP 335.A O no hydrogen 3.140 N/A LEU 340.A N VAL 336.A O no hydrogen 2.789 N/A TYR 341.A N ALA 337.A O no hydrogen 3.086 N/A LEU 342.A N GLN 338.A O no hydrogen 3.415 N/A LEU 343.A N MET 339.A O no hydrogen 3.079 N/A CYS 344.A N LEU 340.A O no hydrogen 3.196 N/A CYS 344.A SG LEU 340.A O no hydrogen 3.913 N/A TRP 346.A NE1 PRO 318.A O no hydrogen 2.777 N/A LEU 349.A N SER 374.A OG no hydrogen 2.913 N/A SER 353.A OG GLU 319.A OE1 no hydrogen 3.523 N/A ALA 354.A N PRO 350.A O no hydrogen 3.137 N/A LEU 355.A N VAL 351.A O no hydrogen 3.146 N/A ASP 359.A N GLU 356.A O no hydrogen 3.177 N/A PHE 362.A N ASP 359.A O no hydrogen 3.273 N/A TYR 366.A N ASP 364.A OD2 no hydrogen 2.966 N/A GLY 368.A N ASP 364.A O no hydrogen 2.685 N/A SER 369.A N CYS 365.A O no hydrogen 2.974 N/A PHE 370.A N TYR 366.A O no hydrogen 3.068 N/A ILE 372.A N GLY 368.A O no hydrogen 3.337 N/A LYS 373.A N SER 369.A O no hydrogen 3.252 N/A SER 374.A N PHE 370.A O no hydrogen 3.218 N/A SER 374.A OG LEU 349.A O no hydrogen 3.230 N/A LEU 375.A N ALA 371.A O no hydrogen 2.900 N/A LEU 378.A N LEU 375.A O no hydrogen 3.212 N/A THR 379.A N GLU 382.A OE1 no hydrogen 3.206 N/A THR 379.A OG1 GLU 382.A OE1 no hydrogen 3.044 N/A GLU 382.A N THR 379.A OG1 no hydrogen 3.076 N/A LEU 383.A N THR 379.A O no hydrogen 2.785 N/A PHE 384.A N ASP 380.A O no hydrogen 3.360 N/A GLN 385.A N ASP 381.A O no hydrogen 3.227 N/A TYR 386.A N GLU 382.A O no hydrogen 3.227 N/A LEU 387.A N PHE 384.A O no hydrogen 3.372 N/A LEU 390.A N TYR 386.A O no hydrogen 3.140 N/A VAL 391.A N LEU 387.A O no hydrogen 3.091 N/A GLN 392.A N LEU 388.A O no hydrogen 3.286 N/A GLN 392.A NE2 GLU 429.A OE1 no hydrogen 3.499 N/A VAL 393.A N GLN 389.A O no hydrogen 3.050 N/A LEU 394.A N VAL 391.A O no hydrogen 3.152 N/A LYS 395.A N GLN 392.A O no hydrogen 3.165 N/A LYS 395.A NZ GLU 429.A OE1 no hydrogen 3.268 N/A TYR 396.A N VAL 393.A O no hydrogen 2.853 N/A TYR 399.A OH PHE 239.A O no hydrogen 2.616 N/A LEU 400.A N GLU 28.A OE2 no hydrogen 3.278 N/A CYS 402.A SG TYR 399.A O no hydrogen 3.982 N/A CYS 402.A SG LEU 400.A O no hydrogen 4.017 N/A CYS 402.A SG THR 405.A OG1 no hydrogen 2.935 N/A LYS 406.A N CYS 402.A O no hydrogen 3.141 N/A PHE 407.A N GLU 403.A O no hydrogen 3.068 N/A LEU 408.A N LEU 404.A O no hydrogen 2.892 N/A LEU 409.A N THR 405.A O no hydrogen 3.060 N/A GLY 410.A N LYS 406.A O no hydrogen 2.791 N/A ARG 411.A N PHE 407.A O no hydrogen 3.050 N/A ARG 411.A NH1 ARG 376.A O no hydrogen 3.408 N/A ARG 411.A NH1 LEU 378.A O no hydrogen 3.171 N/A ARG 411.A NH2 LEU 378.A O no hydrogen 2.714 N/A ARG 411.A NH2 ASP 380.A OD2 no hydrogen 2.877 N/A ALA 412.A N LEU 408.A O no hydrogen 3.041 N/A LEU 413.A N LEU 409.A O no hydrogen 3.271 N/A ALA 414.A N ARG 411.A O no hydrogen 3.296 N/A ASN 415.A ND2 ASP 380.A OD1 no hydrogen 2.960 N/A ARG 416.A N TYR 58.A O no hydrogen 2.785 N/A ARG 416.A NH2 GLN 507.A OE1 no hydrogen 2.657 N/A ILE 418.A N ASN 415.A OD1 no hydrogen 3.038 N/A GLY 419.A N ASN 415.A O no hydrogen 2.972 N/A HIS 420.A N ARG 416.A O no hydrogen 2.907 N/A HIS 420.A NE2 PRO 509.A O no hydrogen 2.598 N/A PHE 421.A N LYS 417.A O no hydrogen 3.269 N/A LEU 422.A N ILE 418.A O no hydrogen 3.095 N/A PHE 423.A N GLY 419.A O no hydrogen 3.192 N/A TRP 424.A N HIS 420.A O no hydrogen 3.333 N/A TRP 424.A NE1 GLN 460.A OE1 no hydrogen 2.884 N/A HIS 425.A N PHE 421.A O no hydrogen 3.054 N/A LEU 426.A N LEU 422.A O no hydrogen 3.155 N/A ARG 427.A N PHE 423.A O no hydrogen 2.779 N/A ARG 427.A NE LEU 13.A O no hydrogen 2.613 N/A SER 428.A N TRP 424.A O no hydrogen 2.912 N/A SER 428.A OG TRP 424.A O no hydrogen 3.007 N/A SER 428.A OG HIS 425.A O no hydrogen 3.203 N/A GLU 429.A N LEU 426.A O no hydrogen 3.445 N/A MET 430.A N ARG 427.A O no hydrogen 3.314 N/A VAL 432.A N GLU 429.A O no hydrogen 3.223 N/A ALA 436.A N VAL 432.A O no hydrogen 3.139 N/A ARG 438.A NH1 TYR 399.A O no hydrogen 3.067 N/A ARG 438.A NH2 TYR 399.A O no hydrogen 3.378 N/A PHE 439.A N VAL 435.A O no hydrogen 2.935 N/A GLY 440.A N ALA 436.A O no hydrogen 3.211 N/A LEU 441.A N LEU 437.A O no hydrogen 3.061 N/A ILE 442.A N ARG 438.A O no hydrogen 3.042 N/A MET 443.A N PHE 439.A O no hydrogen 3.114 N/A GLU 444.A N GLY 440.A O no hydrogen 3.093 N/A ALA 445.A N LEU 441.A O no hydrogen 3.037 N/A TYR 446.A N ILE 442.A O no hydrogen 3.177 N/A TYR 446.A OH HIS 453.A ND1 no hydrogen 2.773 N/A CYS 447.A N MET 443.A O no hydrogen 3.185 N/A CYS 447.A SG MET 443.A O no hydrogen 3.208 N/A ARG 448.A N GLU 444.A O no hydrogen 3.138 N/A ARG 448.A NE GLU 444.A OE2 no hydrogen 3.567 N/A ARG 448.A NH1 ASN 7.A OD1 no hydrogen 2.792 N/A ARG 448.A NH2 ASN 7.A OD1 no hydrogen 2.775 N/A ARG 448.A NH2 GLU 444.A OE2 no hydrogen 3.465 N/A GLY 449.A N TYR 446.A O no hydrogen 3.027 N/A SER 450.A N CYS 447.A O no hydrogen 3.321 N/A THR 451.A OG1 SER 162.A O no hydrogen 3.562 N/A HIS 453.A ND1 TYR 446.A OH no hydrogen 2.773 N/A MET 454.A N SER 450.A O no hydrogen 3.157 N/A VAL 456.A N HIS 452.A O no hydrogen 3.264 N/A LEU 457.A N HIS 453.A O no hydrogen 2.846 N/A MET 458.A N MET 454.A O no hydrogen 2.946 N/A LYS 459.A N LYS 455.A O no hydrogen 3.220 N/A LYS 459.A NZ GLU 501.A O no hydrogen 3.568 N/A LYS 459.A NZ SER 504.A O no hydrogen 2.724 N/A LYS 459.A NZ HIS 505.A O no hydrogen 3.011 N/A GLN 460.A NE2 VAL 456.A O no hydrogen 3.311 N/A GLY 461.A N LEU 457.A O no hydrogen 2.909 N/A GLU 462.A N MET 458.A O no hydrogen 2.958 N/A ALA 463.A N LYS 459.A O no hydrogen 3.144 N/A LEU 464.A N GLN 460.A O no hydrogen 3.075 N/A SER 465.A N GLY 461.A O no hydrogen 3.078 N/A SER 465.A N GLU 462.A O no hydrogen 3.293 N/A LYS 466.A N GLU 462.A O no hydrogen 3.211 N/A LEU 467.A N ALA 463.A O no hydrogen 2.918 N/A LYS 468.A N LEU 464.A O no hydrogen 3.207 N/A LYS 468.A NZ ASP 472.A OD1 no hydrogen 3.159 N/A LYS 468.A NZ ASP 472.A OD2 no hydrogen 2.686 N/A ALA 469.A N SER 465.A O no hydrogen 3.209 N/A LEU 470.A N LYS 466.A O no hydrogen 2.858 N/A ASN 471.A N LEU 467.A O no hydrogen 2.730 N/A ASP 472.A N LYS 468.A O no hydrogen 2.977 N/A VAL 474.A N LEU 470.A O no hydrogen 2.989 N/A LYS 475.A N ASN 471.A O no hydrogen 2.802 N/A LYS 475.A NZ MET 531.A O no hydrogen 2.644 N/A LYS 475.A NZ ASN 555.A O no hydrogen 2.817 N/A VAL 476.A N ASP 472.A O no hydrogen 3.073 N/A SER 477.A N PHE 473.A O no hydrogen 2.936 N/A SER 477.A OG THR 486.A OG1 no hydrogen 3.401 N/A SER 478.A N VAL 474.A O no hydrogen 2.902 N/A SER 478.A OG VAL 474.A O no hydrogen 2.958 N/A SER 478.A OG LYS 475.A O no hydrogen 2.978 N/A LYS 480.A N SER 477.A O no hydrogen 2.885 N/A THR 481.A N SER 477.A O no hydrogen 2.900 N/A THR 481.A OG1 SER 477.A O no hydrogen 3.495 N/A LYS 483.A NZ PHE 526.A O no hydrogen 2.754 N/A LYS 483.A NZ ASP 528.A OD1 no hydrogen 2.828 N/A THR 486.A N THR 482.A O no hydrogen 3.174 N/A THR 486.A OG1 SER 477.A OG no hydrogen 3.401 N/A THR 486.A OG1 THR 482.A O no hydrogen 3.146 N/A LYS 487.A N LYS 483.A O no hydrogen 2.955 N/A GLU 488.A N PRO 484.A O no hydrogen 3.107 N/A MET 489.A N GLN 485.A O no hydrogen 3.055 N/A MET 490.A N THR 486.A O no hydrogen 2.892 N/A HIS 491.A N LYS 487.A O no hydrogen 3.125 N/A HIS 491.A NE2 CYS 524.A O no hydrogen 2.499 N/A MET 492.A N GLU 488.A O no hydrogen 3.081 N/A CYS 493.A N MET 489.A O no hydrogen 3.284 N/A CYS 493.A SG GLN 496.A OE1 no hydrogen 3.705 N/A MET 494.A N MET 490.A O no hydrogen 2.905 N/A ARG 495.A N HIS 491.A O no hydrogen 2.843 N/A GLN 496.A N CYS 493.A O no hydrogen 3.339 N/A TYR 499.A N GLN 496.A O no hydrogen 2.882 N/A MET 500.A N GLN 496.A O no hydrogen 2.814 N/A GLU 501.A N GLU 497.A O no hydrogen 3.380 N/A LEU 503.A N TYR 499.A O no hydrogen 2.867 N/A SER 504.A N GLU 501.A O no hydrogen 3.427 N/A SER 504.A OG MET 500.A O no hydrogen 2.988 N/A HIS 505.A N GLU 517.A O no hydrogen 2.854 N/A LEU 506.A N LEU 516.A O no hydrogen 2.987 N/A SER 508.A N THR 514.A O no hydrogen 2.939 N/A SER 513.A N ASP 511.A OD1 no hydrogen 3.316 N/A SER 513.A OG ASP 511.A OD1 no hydrogen 2.624 N/A THR 514.A N ASP 511.A O no hydrogen 2.863 N/A THR 514.A OG1 ASP 511.A OD2 no hydrogen 3.225 N/A LEU 516.A N LEU 506.A O no hydrogen 2.704 N/A GLU 518.A N SER 539.A O no hydrogen 2.911 N/A CYS 520.A N MET 537.A O no hydrogen 3.043 N/A CYS 520.A SG GLU 518.A O no hydrogen 3.921 N/A CYS 520.A SG SER 539.A OG no hydrogen 3.150 N/A GLN 523.A N CYS 520.A O no hydrogen 2.890 N/A CYS 524.A N VAL 521.A O no hydrogen 3.098 N/A CYS 524.A SG CYS 520.A O no hydrogen 3.319 N/A CYS 524.A SG MET 537.A O no hydrogen 3.902 N/A THR 525.A N TRP 535.A O no hydrogen 2.966 N/A PHE 526.A N THR 525.A OG1 no hydrogen 2.663 N/A MET 527.A N PRO 533.A O no hydrogen 2.687 N/A LYS 532.A N SER 529.A O no hydrogen 2.769 N/A LEU 534.A N PHE 553.A O no hydrogen 2.843 N/A TRP 535.A N THR 525.A O no hydrogen 2.757 N/A ILE 536.A N ILE 551.A O no hydrogen 2.946 N/A TYR 538.A N VAL 549.A O no hydrogen 2.813 N/A TYR 538.A OH LEU 503.A O no hydrogen 2.817 N/A SER 539.A N GLU 518.A O no hydrogen 2.864 N/A GLY 544.A N SER 540.A O no hydrogen 3.188 N/A ALA 546.A N ALA 543.A O no hydrogen 3.381 N/A GLY 547.A N GLY 544.A O no hydrogen 3.330 N/A VAL 549.A N TYR 538.A O no hydrogen 3.305 N/A ILE 551.A N ILE 536.A O no hydrogen 2.941 N/A ILE 552.A N ILE 600.A O no hydrogen 2.804 N/A PHE 553.A N LEU 534.A O no hydrogen 3.037 N/A LYS 554.A N GLY 598.A O no hydrogen 3.133 N/A LYS 554.A NZ ASP 557.A OD2 no hydrogen 3.392 N/A GLY 556.A N ARG 596.A O no hydrogen 2.654 N/A ARG 560.A NE ASP 558.A OD1 no hydrogen 3.069 N/A ARG 560.A NH1 ALA 742.A O no hydrogen 2.737 N/A MET 563.A N LEU 559.A O no hydrogen 2.981 N/A LEU 564.A N ARG 560.A O no hydrogen 2.988 N/A THR 565.A N GLN 561.A O no hydrogen 2.777 N/A THR 565.A OG1 GLN 561.A O no hydrogen 2.672 N/A LEU 566.A N ASP 562.A O no hydrogen 2.981 N/A GLN 567.A N MET 563.A O no hydrogen 3.058 N/A MET 568.A N LEU 564.A O no hydrogen 3.057 N/A ILE 569.A N THR 565.A O no hydrogen 3.047 N/A GLN 570.A N LEU 566.A O no hydrogen 2.890 N/A LEU 571.A N GLN 567.A O no hydrogen 2.870 N/A MET 572.A N MET 568.A O no hydrogen 2.859 N/A ASP 573.A N ILE 569.A O no hydrogen 2.945 N/A VAL 574.A N GLN 570.A O no hydrogen 2.982 N/A LEU 575.A N LEU 571.A O no hydrogen 2.987 N/A TRP 576.A N MET 572.A O no hydrogen 2.903 N/A TRP 576.A NE1 ALA 721.A O no hydrogen 2.789 N/A LYS 577.A N ASP 573.A O no hydrogen 2.941 N/A LYS 577.A NZ ASP 573.A OD1 no hydrogen 3.164 N/A LYS 577.A NZ ASP 573.A OD2 no hydrogen 2.777 N/A GLN 578.A N VAL 574.A O no hydrogen 2.912 N/A GLU 579.A N TRP 576.A O no hydrogen 3.069 N/A GLY 580.A N LYS 577.A O no hydrogen 2.928 N/A LEU 581.A N TRP 576.A O no hydrogen 2.804 N/A ARG 584.A N ASP 582.A OD1 no hydrogen 3.016 N/A ARG 584.A NE GLU 642.A OE1 no hydrogen 2.962 N/A ARG 584.A NE GLU 642.A OE2 no hydrogen 2.969 N/A ARG 584.A NH1 ASP 582.A OD1 no hydrogen 3.443 N/A THR 586.A N TYR 650.A OH no hydrogen 3.261 N/A TYR 588.A N THR 586.A O no hydrogen 2.886 N/A GLY 589.A N GLU 601.A OE1 no hydrogen 3.141 N/A LEU 591.A N LEU 599.A O no hydrogen 2.838 N/A THR 593.A N THR 597.A O no hydrogen 3.147 N/A GLY 594.A N THR 597.A O no hydrogen 3.462 N/A ARG 596.A NE GLY 556.A O no hydrogen 2.688 N/A ARG 596.A NH2 GLY 556.A O no hydrogen 3.202 N/A THR 597.A N GLY 594.A O no hydrogen 3.435 N/A THR 597.A OG1 ASN 555.A OD1 no hydrogen 2.594 N/A THR 597.A OG1 ASP 595.A O no hydrogen 2.855 N/A GLY 598.A N LYS 554.A O no hydrogen 3.086 N/A LEU 599.A N LEU 591.A O no hydrogen 3.027 N/A ILE 600.A N ILE 552.A O no hydrogen 2.879 N/A GLU 601.A N GLY 589.A O no hydrogen 2.815 N/A VAL 602.A N GLY 550.A O no hydrogen 3.274 N/A SER 606.A OG VAL 603.A O no hydrogen 3.078 N/A ASP 607.A N ILE 669.A O no hydrogen 3.186 N/A THR 608.A N ASP 607.A OD1 no hydrogen 3.076 N/A ILE 609.A N ILE 667.A O no hydrogen 3.000 N/A ALA 610.A N SER 664.A O no hydrogen 2.877 N/A ASN 611.A N THR 608.A OG1 no hydrogen 3.422 N/A ILE 612.A N THR 608.A O no hydrogen 3.143 N/A GLN 613.A N ILE 609.A O no hydrogen 2.853 N/A LEU 614.A N ALA 610.A O no hydrogen 3.087 N/A ASN 615.A N ILE 612.A O no hydrogen 3.300 N/A ASN 619.A ND2 GLN 613.A O no hydrogen 3.060 N/A LYS 620.A NZ ASP 621.A OD1 no hydrogen 3.498 N/A ASP 621.A N PHE 618.A O no hydrogen 3.044 N/A ALA 622.A N ASN 619.A O no hydrogen 3.182 N/A ASN 625.A N ASP 621.A O no hydrogen 2.756 N/A TRP 626.A N ALA 622.A O no hydrogen 3.058 N/A LYS 628.A N LEU 624.A O no hydrogen 3.029 N/A SER 629.A N ASN 625.A O no hydrogen 3.182 N/A SER 629.A OG TRP 626.A O no hydrogen 2.663 N/A LYS 630.A N TRP 626.A O no hydrogen 3.087 N/A LYS 630.A NZ GLU 671.A OE2 no hydrogen 3.231 N/A ASN 631.A ND2 LEU 627.A O no hydrogen 3.329 N/A ASN 631.A ND2 GLU 671.A O no hydrogen 2.660 N/A ALA 639.A N ALA 635.A O no hydrogen 3.180 N/A ILE 640.A N LEU 636.A O no hydrogen 2.826 N/A GLU 641.A N ASP 637.A O no hydrogen 3.166 N/A GLU 642.A N ARG 638.A O no hydrogen 2.870 N/A PHE 643.A N ALA 639.A O no hydrogen 3.026 N/A THR 644.A N ILE 640.A O no hydrogen 2.892 N/A THR 644.A OG1 ILE 640.A O no hydrogen 2.638 N/A LEU 645.A N GLU 641.A O no hydrogen 3.015 N/A SER 646.A N GLU 642.A O no hydrogen 3.152 N/A SER 646.A OG GLU 642.A O no hydrogen 2.888 N/A SER 646.A OG PHE 643.A O no hydrogen 2.875 N/A CYS 647.A N PHE 643.A O no hydrogen 2.767 N/A ALA 648.A N THR 644.A O no hydrogen 3.031 N/A GLY 649.A N LEU 645.A O no hydrogen 2.876 N/A TYR 650.A N SER 646.A O no hydrogen 2.845 N/A CYS 651.A N CYS 647.A O no hydrogen 2.934 N/A CYS 651.A SG CYS 647.A O no hydrogen 3.138 N/A CYS 651.A SG ILE 691.A O no hydrogen 3.487 N/A VAL 652.A N ALA 648.A O no hydrogen 3.247 N/A ALA 653.A N GLY 649.A O no hydrogen 3.204 N/A THR 654.A N TYR 650.A O no hydrogen 3.214 N/A THR 654.A OG1 TYR 650.A O no hydrogen 2.752 N/A THR 654.A OG1 CYS 651.A O no hydrogen 3.035 N/A TYR 655.A N CYS 651.A O no hydrogen 3.256 N/A VAL 656.A N VAL 652.A O no hydrogen 2.781 N/A LEU 657.A N ALA 653.A O no hydrogen 3.178 N/A GLY 658.A N TYR 655.A O no hydrogen 3.351 N/A ILE 659.A N THR 654.A O no hydrogen 2.804 N/A ARG 662.A NE GLY 660.A O no hydrogen 3.597 N/A ARG 662.A NH1 ASN 666.A O no hydrogen 3.220 N/A ARG 662.A NH1 HIS 677.A ND1 no hydrogen 3.130 N/A ARG 662.A NH1 ILE 678.A O no hydrogen 3.075 N/A ARG 662.A NH2 ILE 678.A O no hydrogen 3.113 N/A ASP 665.A N HIS 663.A ND1 no hydrogen 3.376 N/A ASN 666.A N HIS 663.A O no hydrogen 3.284 N/A MET 668.A N PHE 676.A O no hydrogen 2.916 N/A ILE 669.A N ASP 607.A O no hydrogen 2.982 N/A ARG 670.A N GLN 674.A O no hydrogen 2.720 N/A ARG 670.A NH1 THR 586.A OG1 no hydrogen 2.899 N/A GLU 671.A N HIS 605.A O no hydrogen 2.915 N/A SER 672.A OG GLN 674.A OE1 no hydrogen 2.639 N/A GLY 673.A N ARG 670.A O no hydrogen 2.871 N/A GLN 674.A N SER 672.A OG no hydrogen 3.323 N/A GLN 674.A NE2 ARG 584.A O no hydrogen 3.174 N/A LEU 675.A N SER 646.A OG no hydrogen 2.833 N/A PHE 676.A N MET 668.A O no hydrogen 2.859 N/A ILE 678.A N ASN 666.A O no hydrogen 3.039 N/A PHE 680.A N ASP 562.A OD1 no hydrogen 2.959 N/A LEU 684.A N LEU 657.A O no hydrogen 2.771 N/A GLY 685.A N GLY 658.A O no hydrogen 3.162 N/A VAL 688.A N TYR 755.A OH no hydrogen 2.866 N/A PHE 696.A N THR 693.A O no hydrogen 3.022 N/A VAL 697.A N THR 693.A O no hydrogen 3.060 N/A HIS 698.A N TYR 694.A O no hydrogen 2.957 N/A ILE 700.A N PHE 696.A O no hydrogen 2.960 N/A GLN 701.A N VAL 697.A O no hydrogen 2.931 N/A GLN 702.A N VAL 699.A O no hydrogen 2.945 N/A GLY 703.A N HIS 698.A O no hydrogen 2.993 N/A LYS 704.A N GLN 701.A O no hydrogen 3.091 N/A ASN 707.A ND2 GLN 701.A O no hydrogen 3.157 N/A ASN 707.A ND2 GLN 702.A OE1 no hydrogen 2.882 N/A LYS 710.A N ASN 707.A OD1 no hydrogen 2.951 N/A PHE 711.A N ASN 707.A O no hydrogen 3.039 N/A GLU 712.A N SER 708.A O no hydrogen 2.983 N/A ARG 713.A N LYS 710.A O no hydrogen 3.232 N/A ARG 713.A NH1 GLU 641.A OE1 no hydrogen 2.776 N/A ARG 713.A NH2 GLU 641.A OE1 no hydrogen 3.019 N/A PHE 714.A N LYS 710.A O no hydrogen 3.371 N/A ARG 715.A N PHE 711.A O no hydrogen 3.107 N/A ARG 715.A NE GLU 712.A OE1 no hydrogen 2.581 N/A ARG 715.A NE GLU 712.A OE2 no hydrogen 3.454 N/A ARG 715.A NH1 ASN 778.A OD1 no hydrogen 2.745 N/A ARG 715.A NH2 GLU 712.A OE2 no hydrogen 3.264 N/A ARG 715.A NH2 ASN 778.A OD1 no hydrogen 2.900 N/A GLY 716.A N GLU 712.A O no hydrogen 3.116 N/A TYR 717.A N ARG 713.A O no hydrogen 3.070 N/A TYR 717.A OH GLU 641.A OE2 no hydrogen 2.740 N/A CYS 718.A N PHE 714.A O no hydrogen 3.159 N/A CYS 718.A SG PHE 714.A O no hydrogen 3.373 N/A GLU 719.A N ARG 715.A O no hydrogen 2.967 N/A ARG 720.A N GLY 716.A O no hydrogen 2.834 N/A ARG 720.A NH1 GLU 579.A O no hydrogen 3.403 N/A ALA 721.A N TYR 717.A O no hydrogen 2.814 N/A TYR 722.A N CYS 718.A O no hydrogen 2.869 N/A TYR 722.A OH SER 759.A O no hydrogen 3.057 N/A THR 723.A N GLU 719.A O no hydrogen 2.989 N/A THR 723.A OG1 GLU 719.A O no hydrogen 2.735 N/A THR 723.A OG1 ARG 720.A O no hydrogen 2.744 N/A ILE 724.A N ARG 720.A O no hydrogen 3.015 N/A LEU 725.A N ALA 721.A O no hydrogen 3.256 N/A ARG 726.A N TYR 722.A O no hydrogen 3.071 N/A ARG 726.A NE LEU 760.A O no hydrogen 2.912 N/A ARG 726.A NH2 ALA 761.A O no hydrogen 2.941 N/A GLY 729.A N ARG 726.A O no hydrogen 3.118 N/A LEU 731.A N HIS 728.A O no hydrogen 2.835 N/A PHE 732.A N HIS 728.A O no hydrogen 3.427 N/A LEU 733.A N GLY 729.A O no hydrogen 3.066 N/A HIS 734.A N LEU 730.A O no hydrogen 2.790 N/A LEU 735.A N LEU 731.A O no hydrogen 3.015 N/A PHE 736.A N PHE 732.A O no hydrogen 2.840 N/A ALA 737.A N LEU 733.A O no hydrogen 3.001 N/A LEU 738.A N HIS 734.A O no hydrogen 3.368 N/A MET 739.A N LEU 735.A O no hydrogen 3.125 N/A ARG 740.A N ALA 737.A O no hydrogen 3.301 N/A ALA 741.A N LEU 738.A O no hydrogen 3.427 N/A ALA 742.A N MET 739.A O no hydrogen 3.210 N/A LEU 747.A N LEU 744.A O no hydrogen 2.888 N/A SER 748.A N ASP 752.A OD2 no hydrogen 3.181 N/A CYS 749.A N ASP 752.A OD2 no hydrogen 3.407 N/A CYS 749.A SG ASP 752.A OD2 no hydrogen 3.436 N/A GLN 754.A N SER 750.A O no hydrogen 2.817 N/A TYR 755.A N LYS 751.A O no hydrogen 3.260 N/A ASP 758.A N GLN 754.A O no hydrogen 3.063 N/A SER 759.A N TYR 755.A O no hydrogen 2.847 N/A SER 759.A OG VAL 656.A O no hydrogen 2.715 N/A SER 759.A OG TYR 755.A O no hydrogen 3.260 N/A SER 759.A OG LEU 756.A O no hydrogen 3.276 N/A LEU 760.A N LEU 756.A O no hydrogen 3.096 N/A ALA 761.A N ASP 758.A O no hydrogen 3.299 N/A LEU 762.A N LYS 757.A O no hydrogen 3.287 N/A ALA 769.A N THR 765.A O no hydrogen 2.686 N/A LEU 770.A N GLU 766.A O no hydrogen 2.981 N/A LYS 771.A N GLU 767.A O no hydrogen 3.410 N/A HIS 772.A N GLU 768.A O no hydrogen 3.291 N/A PHE 773.A N ALA 769.A O no hydrogen 3.119 N/A ARG 774.A N LEU 770.A O no hydrogen 2.907 N/A ARG 774.A NE GLU 719.A OE2 no hydrogen 2.964 N/A ARG 774.A NH2 GLU 719.A OE1 no hydrogen 3.081 N/A VAL 775.A N LYS 771.A O no hydrogen 2.930 N/A LYS 776.A N HIS 772.A O no hydrogen 3.341 N/A PHE 777.A N PHE 773.A O no hydrogen 2.852 N/A ASN 778.A N ARG 774.A O no hydrogen 3.160 N/A GLU 779.A N VAL 775.A O no hydrogen 2.965 N/A ALA 780.A N LYS 776.A O no hydrogen 3.015 N/A ALA 780.A N PHE 777.A O no hydrogen 3.249 N/A LEU 781.A N PHE 777.A O no hydrogen 3.151 N/A ARG 782.A N ASN 778.A O no hydrogen 3.061 N/A GLU 783.A N GLU 779.A O no hydrogen 3.149 N/A SER 784.A N LEU 781.A O no hydrogen 3.164 N/A