Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j8b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A OH TYR 98.A OH no hydrogen 2.787 N/A THR 7.A N MET 55.A O no hydrogen 3.017 N/A ALA 9.A N TYR 98.A OH no hydrogen 3.362 N/A ALA 12.A N ALA 9.A O no hydrogen 3.243 N/A GLY 13.A N ARG 97.A O no hydrogen 3.179 N/A GLY 14.A N ASN 11.A O no hydrogen 3.295 N/A ARG 16.A NE ASP 19.A OD2 no hydrogen 2.778 N/A ARG 16.A NH2 ASP 19.A OD2 no hydrogen 2.845 N/A ALA 17.A N GLY 14.A O no hydrogen 3.338 N/A ASP 19.A N ARG 16.A O no hydrogen 3.185 N/A CYS 20.A N ALA 17.A O no hydrogen 2.960 N/A CYS 20.A SG ARG 16.A O no hydrogen 3.208 N/A MET 21.A N PHE 52.A O no hydrogen 3.181 N/A LEU 22.A N CYS 100.A O no hydrogen 2.912 N/A LEU 23.A N GLY 54.A O no hydrogen 2.785 N/A ALA 24.A N VAL 102.A O no hydrogen 2.569 N/A ALA 25.A N ILE 56.A O no hydrogen 2.781 N/A GLU 26.A N CYS 104.A O no hydrogen 2.997 N/A LEU 31.A N GLY 27.A O no hydrogen 2.937 N/A SER 32.A N ASP 28.A O no hydrogen 3.016 N/A SER 32.A OG SER 29.A O no hydrogen 2.538 N/A LEU 33.A N SER 29.A O no hydrogen 3.307 N/A LEU 34.A N ALA 30.A O no hydrogen 3.053 N/A ARG 35.A N LEU 31.A O no hydrogen 2.842 N/A THR 36.A N SER 32.A O no hydrogen 3.019 N/A THR 36.A OG1 SER 32.A O no hydrogen 2.954 N/A GLY 37.A N LEU 33.A O no hydrogen 3.003 N/A LEU 38.A N LEU 34.A O no hydrogen 2.836 N/A THR 39.A N THR 36.A O no hydrogen 3.469 N/A THR 39.A OG1 ARG 35.A O no hydrogen 2.362 N/A SER 43.A N LEU 40.A O no hydrogen 3.379 N/A SER 43.A OG LEU 40.A O no hydrogen 2.362 N/A ASN 44.A N GLY 41.A O no hydrogen 3.225 N/A ASN 44.A ND2 PHE 196.A O no hydrogen 2.821 N/A GLY 47.A N ASN 44.A O no hydrogen 3.161 N/A ASP 51.A N SER 49.A OG no hydrogen 3.320 N/A CYS 53.A SG MET 21.A O no hydrogen 3.931 N/A GLY 54.A N MET 21.A O no hydrogen 2.960 N/A MET 55.A N THR 7.A O no hydrogen 3.375 N/A MET 55.A N THR 7.A OG1 no hydrogen 3.145 N/A ILE 56.A N LEU 23.A O no hydrogen 2.911 N/A LEU 58.A N ALA 25.A O no hydrogen 2.775 N/A GLY 59.A N SER 57.A OG no hydrogen 3.293 N/A THR 67.A N ASN 63.A O no hydrogen 3.380 N/A THR 67.A OG1 GLU 64.A O no hydrogen 2.573 N/A ASN 68.A N GLU 64.A O no hydrogen 3.324 N/A ASN 68.A N GLN 65.A O no hydrogen 3.206 N/A ASN 69.A N LEU 66.A O no hydrogen 3.342 N/A VAL 71.A N ASN 69.A OD1 no hydrogen 3.298 N/A GLN 73.A N ASN 69.A O no hydrogen 3.000 N/A GLN 73.A NE2 THR 67.A O no hydrogen 2.840 N/A GLY 74.A N LYS 70.A O no hydrogen 3.087 N/A ILE 75.A N VAL 71.A O no hydrogen 3.265 N/A VAL 76.A N LEU 72.A O no hydrogen 3.089 N/A GLN 77.A N GLN 73.A O no hydrogen 2.947 N/A VAL 78.A N GLY 74.A O no hydrogen 2.901 N/A LEU 79.A N ILE 75.A O no hydrogen 3.051 N/A GLY 80.A N GLN 77.A O no hydrogen 3.303 N/A LEU 81.A N VAL 76.A O no hydrogen 3.034 N/A ASP 82.A N TYR 87.A OH no hydrogen 2.896 N/A CYS 85.A SG ASP 82.A O no hydrogen 3.148 N/A CYS 85.A SG ASP 82.A OD2 no hydrogen 3.379 N/A CYS 85.A SG TYR 87.A OH no hydrogen 3.764 N/A LYS 88.A N HIS 86.A O no hydrogen 2.839 N/A ARG 93.A N THR 89.A O no hydrogen 3.193 N/A ARG 93.A NH1 TYR 87.A O no hydrogen 3.176 N/A ARG 93.A NH2 GLN 90.A OE1 no hydrogen 2.874 N/A ALA 94.A N GLN 90.A O no hydrogen 2.966 N/A LYS 95.A N GLU 92.A O no hydrogen 3.393 N/A LEU 96.A N ARG 93.A O no hydrogen 3.409 N/A ARG 97.A N LEU 79.A O no hydrogen 3.017 N/A TYR 98.A OH TYR 6.A OH no hydrogen 2.787 N/A GLY 99.A N CYS 20.A O no hydrogen 2.673 N/A ILE 101.A N PHE 135.A O no hydrogen 2.944 N/A VAL 102.A N LEU 22.A O no hydrogen 2.663 N/A ALA 103.A N LYS 137.A O no hydrogen 2.993 N/A CYS 104.A N ALA 24.A O no hydrogen 2.918 N/A ASP 106.A N GLU 26.A OE1 no hydrogen 2.860 N/A LEU 109.A N ASP 108.A OD1 no hydrogen 2.793 N/A CYS 112.A N ASP 106.A O no hydrogen 2.928 N/A CYS 112.A SG ASP 106.A O no hydrogen 3.540 N/A CYS 112.A SG ASP 261.A OD1 no hydrogen 3.663 N/A LYS 114.A N GLY 111.A O no hydrogen 3.230 N/A LYS 114.A NZ ASP 110.A OD1 no hydrogen 3.465 N/A ILE 115.A N GLY 111.A O no hydrogen 2.991 N/A LEU 118.A N LYS 114.A O no hydrogen 3.130 N/A LEU 119.A N ILE 115.A O no hydrogen 3.223 N/A LEU 120.A N LEU 116.A O no hydrogen 2.922 N/A ALA 121.A N GLY 117.A O no hydrogen 2.841 N/A TYR 122.A N LEU 118.A O no hydrogen 2.730 N/A PHE 123.A N LEU 119.A O no hydrogen 3.093 N/A HIS 124.A N LEU 120.A O no hydrogen 2.859 N/A LEU 125.A N ALA 121.A O no hydrogen 2.909 N/A PHE 126.A N TYR 122.A O no hydrogen 3.438 N/A TRP 127.A N PHE 123.A O no hydrogen 2.740 N/A TRP 127.A NE1 ASP 82.A O no hydrogen 3.068 N/A LEU 130.A N TRP 127.A O no hydrogen 3.240 N/A ILE 132.A N PRO 128.A O no hydrogen 3.160 N/A HIS 133.A N GLN 129.A O no hydrogen 2.845 N/A GLY 134.A N ILE 131.A O no hydrogen 3.321 N/A PHE 135.A N LEU 130.A O no hydrogen 2.689 N/A LYS 137.A N ILE 101.A O no hydrogen 2.745 N/A ARG 138.A N TYR 204.A O no hydrogen 2.589 N/A LEU 139.A N ALA 103.A O no hydrogen 3.126 N/A LEU 140.A N MET 202.A O no hydrogen 2.778 N/A LEU 143.A N PHE 157.A O no hydrogen 2.938 N/A ILE 144.A N PHE 157.A O no hydrogen 2.930 N/A ARG 145.A N LYS 179.A O no hydrogen 3.086 N/A ARG 145.A NH2 HIS 187.A ND1 no hydrogen 3.064 N/A VAL 146.A N VAL 155.A O no hydrogen 2.852 N/A TYR 147.A N THR 177.A O no hydrogen 2.581 N/A TYR 147.A OH GLU 191.A OE2 no hydrogen 2.888 N/A LYS 151.A N GLU 148.A O no hydrogen 3.209 N/A VAL 155.A N VAL 146.A O no hydrogen 2.991 N/A PHE 157.A N ILE 144.A O no hydrogen 2.749 N/A TYR 158.A N GLU 162.A OE1 no hydrogen 3.057 N/A PHE 163.A N TYR 159.A O no hydrogen 3.487 N/A ASP 164.A N GLU 160.A O no hydrogen 3.103 N/A ALA 165.A N GLN 161.A O no hydrogen 3.068 N/A TRP 166.A N GLU 162.A O no hydrogen 3.170 N/A ALA 167.A N PHE 163.A O no hydrogen 2.751 N/A LYS 168.A N ASP 164.A O no hydrogen 3.018 N/A GLN 170.A N ALA 167.A O no hydrogen 3.398 N/A THR 171.A OG1 GLN 170.A O no hydrogen 2.514 N/A HIS 176.A ND1 ASN 175.A OD1 no hydrogen 2.587 N/A THR 177.A N TYR 147.A O no hydrogen 2.461 N/A LYS 179.A N ARG 145.A O no hydrogen 2.967 N/A TYR 180.A OH GLU 160.A OE2 no hydrogen 3.390 N/A TYR 181.A N LEU 143.A O no hydrogen 2.770 N/A LYS 182.A NZ ASP 108.A OD1 no hydrogen 3.367 N/A LEU 184.A N ASP 106.A OD2 no hydrogen 3.411 N/A ALA 186.A N GLY 183.A O no hydrogen 3.079 N/A HIS 187.A N LEU 184.A O no hydrogen 3.468 N/A ASP 188.A N GLU 191.A OE1 no hydrogen 2.626 N/A THR 189.A N ASP 188.A OD1 no hydrogen 2.342 N/A VAL 192.A N ASP 188.A O no hydrogen 2.971 N/A LYS 193.A N THR 189.A O no hydrogen 3.328 N/A SER 194.A N HIS 190.A O no hydrogen 3.149 N/A SER 194.A OG HIS 190.A O no hydrogen 3.064 N/A MET 195.A N GLU 191.A O no hydrogen 2.959 N/A PHE 196.A N VAL 192.A O no hydrogen 3.033 N/A LYS 197.A N LYS 193.A O no hydrogen 2.961 N/A HIS 198.A N MET 195.A O no hydrogen 3.306 N/A ASN 201.A N HIS 198.A O no hydrogen 3.027 N/A MET 202.A N PHE 199.A O no hydrogen 3.246 N/A TYR 204.A N ARG 138.A O no hydrogen 2.702 N/A THR 205.A N ARG 250.A O no hydrogen 2.919 N/A PHE 206.A N VAL 136.A O no hydrogen 3.269 N/A THR 207.A N ILE 252.A O no hydrogen 3.070 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 3.204 N/A ALA 212.A N ASP 209.A O no hydrogen 3.262 N/A LYS 213.A N ASP 210.A O no hydrogen 3.366 N/A LEU 215.A N SER 211.A O no hydrogen 3.399 N/A PHE 216.A N ALA 212.A O no hydrogen 2.883 N/A HIS 217.A N LYS 213.A O no hydrogen 3.402 N/A ILE 218.A N GLU 214.A O no hydrogen 3.116 N/A ILE 218.A N LEU 215.A O no hydrogen 3.109 N/A TYR 219.A N LEU 215.A O no hydrogen 3.008 N/A PHE 220.A N PHE 216.A O no hydrogen 3.104 N/A ARG 227.A N SER 224.A O no hydrogen 3.132 N/A LYS 228.A N GLU 225.A O no hydrogen 3.099 N/A LEU 231.A N ARG 227.A O no hydrogen 3.213 N/A CYS 232.A N ARG 229.A O no hydrogen 3.215 N/A CYS 232.A SG LYS 228.A O no hydrogen 3.125 N/A CYS 232.A SG ILE 589.A O no hydrogen 3.176 N/A THR 233.A OG1 GLU 230.A O no hydrogen 3.355 N/A THR 233.A OG1 GLY 234.A O no hydrogen 3.513 N/A THR 239.A N GLN 242.A OE1 no hydrogen 3.295 N/A THR 239.A OG1 THR 241.A OG1 no hydrogen 3.125 N/A THR 241.A OG1 THR 239.A OG1 no hydrogen 3.125 N/A GLN 242.A N THR 239.A OG1 no hydrogen 3.339 N/A THR 243.A N THR 239.A O no hydrogen 2.936 N/A THR 243.A OG1 THR 239.A O no hydrogen 3.088 N/A GLN 244.A N GLU 240.A O no hydrogen 2.911 N/A SER 245.A N THR 241.A O no hydrogen 2.933 N/A ILE 246.A N GLN 242.A O no hydrogen 3.013 N/A HIS 247.A N THR 243.A O no hydrogen 3.112 N/A SER 248.A N GLN 244.A O no hydrogen 2.943 N/A SER 248.A OG SER 245.A O no hydrogen 2.590 N/A ILE 252.A N THR 205.A O no hydrogen 2.594 N/A CYS 254.A N THR 207.A O no hydrogen 2.848 N/A CYS 254.A SG THR 207.A O no hydrogen 3.305 N/A SER 255.A OG ASP 209.A OD2 no hydrogen 3.166 N/A HIS 257.A N PRO 253.A O no hydrogen 3.378 N/A LEU 258.A N CYS 254.A O no hydrogen 3.077 N/A GLN 259.A N SER 255.A O no hydrogen 2.919 N/A VAL 260.A N LEU 256.A O no hydrogen 3.207 N/A ASP 261.A N HIS 257.A O no hydrogen 2.816 N/A THR 262.A N HIS 257.A O no hydrogen 3.246 N/A THR 262.A OG1 GLY 113.A O no hydrogen 3.215 N/A LYS 263.A N LEU 258.A O no hydrogen 3.081 N/A LYS 263.A NZ GLU 230.A O no hydrogen 3.351 N/A LYS 263.A NZ GLY 234.A O no hydrogen 3.108 N/A LYS 263.A NZ GLN 259.A OE1 no hydrogen 3.440 N/A ALA 264.A N VAL 260.A O no hydrogen 3.209 N/A TYR 265.A N ASP 261.A O no hydrogen 3.336 N/A LYS 266.A N THR 262.A O no hydrogen 3.079 N/A LEU 267.A N LYS 263.A O no hydrogen 2.857 N/A ASP 268.A N ALA 264.A O no hydrogen 2.887 N/A ALA 269.A N TYR 265.A O no hydrogen 3.211 N/A ILE 270.A N LYS 266.A O no hydrogen 3.359 N/A GLU 271.A N LEU 267.A O no hydrogen 2.831 N/A ARG 272.A N ASP 268.A O no hydrogen 3.151 N/A GLN 273.A N ILE 270.A O no hydrogen 2.923 N/A ILE 274.A N ILE 270.A O no hydrogen 2.691 N/A ASN 276.A N MET 281.A O no hydrogen 3.415 N/A LEU 278.A N ASN 276.A OD1 no hydrogen 2.898 N/A ASP 279.A N ASN 276.A O no hydrogen 3.316 N/A GLY 280.A N ASN 276.A O no hydrogen 2.566 N/A ARG 283.A NE GLU 271.A OE1 no hydrogen 2.511 N/A ARG 283.A NH2 GLU 271.A OE1 no hydrogen 3.290 N/A ARG 283.A NH2 GLU 402.A OE1 no hydrogen 3.386 N/A ARG 286.A N THR 282.A O no hydrogen 2.969 N/A ARG 286.A NH1 ASP 279.A OD2 no hydrogen 2.210 N/A ARG 286.A NH2 ASP 279.A OD1 no hydrogen 2.573 N/A LYS 287.A N ARG 283.A O no hydrogen 3.281 N/A LYS 287.A NZ GLU 400.A OE1 no hydrogen 3.188 N/A LYS 287.A NZ GLU 400.A OE2 no hydrogen 3.230 N/A ILE 288.A N ALA 284.A O no hydrogen 3.435 N/A LEU 289.A N ARG 285.A O no hydrogen 2.975 N/A ALA 290.A N ARG 286.A O no hydrogen 2.651 N/A GLY 291.A N LYS 287.A O no hydrogen 2.599 N/A GLY 292.A N ILE 288.A O no hydrogen 2.663 N/A VAL 293.A N LEU 289.A O no hydrogen 2.948 N/A LYS 294.A N ALA 290.A O no hydrogen 3.155 N/A LYS 294.A NZ HIS 315.A ND1 no hydrogen 3.139 N/A CYS 295.A N GLY 291.A O no hydrogen 2.730 N/A PHE 296.A N GLY 292.A O no hydrogen 3.140 N/A ASN 300.A ND2 LEU 372.A O no hydrogen 3.151 N/A ARG 301.A N ASN 299.A O no hydrogen 2.902 N/A ARG 303.A N VAL 370.A O no hydrogen 2.970 N/A ARG 303.A NE GLN 307.A OE1 no hydrogen 3.479 N/A VAL 305.A N ILE 368.A O no hydrogen 2.904 N/A PHE 308.A N LYS 304.A O no hydrogen 2.690 N/A GLY 309.A N VAL 305.A O no hydrogen 2.696 N/A GLY 310.A N PHE 306.A O no hydrogen 3.070 N/A TYR 311.A N GLN 307.A O no hydrogen 3.321 N/A VAL 312.A N PHE 308.A O no hydrogen 3.114 N/A ALA 313.A N GLY 309.A O no hydrogen 3.091 N/A ASP 314.A N GLY 310.A O no hydrogen 2.945 N/A HIS 315.A N TYR 311.A O no hydrogen 2.913 N/A MET 316.A N VAL 312.A O no hydrogen 2.732 N/A TYR 318.A OH SER 324.A OG no hydrogen 3.174 N/A SER 324.A OG TYR 318.A OH no hydrogen 3.174 N/A SER 324.A OG HIS 320.A O no hydrogen 3.417 N/A SER 324.A OG GLY 321.A O no hydrogen 3.173 N/A LEU 325.A N GLY 321.A O no hydrogen 3.173 N/A ASN 326.A N ASP 322.A O no hydrogen 2.629 N/A THR 327.A N MET 323.A O no hydrogen 3.371 N/A THR 327.A OG1 MET 323.A O no hydrogen 2.707 N/A SER 328.A N SER 324.A O no hydrogen 3.021 N/A SER 328.A OG SER 324.A O no hydrogen 2.834 N/A ILE 329.A N LEU 325.A O no hydrogen 2.844 N/A ILE 330.A N ASN 326.A O no hydrogen 2.928 N/A LYS 331.A N THR 327.A O no hydrogen 2.975 N/A ALA 332.A N SER 328.A O no hydrogen 3.000 N/A ALA 333.A N ILE 330.A O no hydrogen 3.044 N/A GLN 334.A NE2 PHE 352.A O no hydrogen 2.955 N/A GLN 334.A NE2 GLY 359.A O no hydrogen 3.010 N/A TYR 336.A N SER 339.A OG no hydrogen 3.397 N/A SER 339.A N TYR 336.A O no hydrogen 2.933 N/A SER 339.A OG TYR 336.A O no hydrogen 2.758 N/A SER 339.A OG HIS 341.A O no hydrogen 3.141 N/A SER 340.A OG HIS 341.A ND1 no hydrogen 2.926 N/A HIS 341.A ND1 SER 340.A OG no hydrogen 2.926 N/A LEU 342.A N GLU 414.A OE1 no hydrogen 2.411 N/A TYR 343.A N GLU 414.A OE1 no hydrogen 3.228 N/A PHE 346.A N ALA 332.A O no hydrogen 3.474 N/A ILE 347.A N GLN 371.A O no hydrogen 2.382 N/A SER 354.A N ASP 361.A OD1 no hydrogen 2.993 N/A SER 354.A OG ASP 361.A OD2 no hydrogen 2.244 N/A HIS 356.A ND1 THR 510.A OG1 no hydrogen 2.990 N/A HIS 356.A NE2 SER 535.A O no hydrogen 2.796 N/A GLY 358.A N ARG 355.A O no hydrogen 3.373 N/A GLY 359.A N SER 354.A O no hydrogen 3.046 N/A LYS 360.A N LEU 357.A O no hydrogen 3.276 N/A LYS 360.A NZ GLY 358.A O no hydrogen 3.564 N/A ASP 361.A N ASP 361.A OD1 no hydrogen 2.435 N/A GLY 363.A N SER 351.A O no hydrogen 2.977 N/A TYR 367.A N SER 364.A O no hydrogen 3.177 N/A VAL 370.A N ARG 303.A O no hydrogen 2.518 N/A GLN 371.A NE2 ASN 300.A O no hydrogen 3.125 N/A ALA 373.A N VAL 345.A O no hydrogen 3.148 N/A GLU 375.A N GLU 375.A OE1 no hydrogen 2.760 N/A ILE 377.A N ALA 373.A O no hydrogen 2.931 N/A LYS 378.A N SER 374.A O no hydrogen 2.937 N/A THR 379.A OG1 GLU 375.A O no hydrogen 2.983 N/A THR 379.A OG1 PHE 376.A O no hydrogen 2.896 N/A MET 380.A N PHE 376.A O no hydrogen 2.885 N/A PHE 381.A N ILE 377.A O no hydrogen 2.842 N/A GLU 384.A N GLU 384.A OE1 no hydrogen 2.512 N/A SER 386.A OG ALA 383.A O no hydrogen 2.665 N/A LEU 388.A N ASP 385.A O no hydrogen 3.229 N/A TYR 391.A OH SER 386.A O no hydrogen 2.667 N/A VAL 392.A N GLU 400.A O no hydrogen 3.090 N/A GLU 394.A N GLN 397.A O no hydrogen 2.824 N/A GLN 397.A N GLU 394.A O no hydrogen 3.030 N/A ALA 399.A N VAL 392.A O no hydrogen 2.781 N/A GLU 402.A N PRO 390.A O no hydrogen 2.653 N/A TYR 404.A N ASP 279.A OD2 no hydrogen 3.255 N/A VAL 407.A N MET 380.A O no hydrogen 3.125 N/A ILE 412.A N PRO 409.A O no hydrogen 3.323 N/A TYR 415.A N SER 340.A O no hydrogen 2.986 N/A GLY 416.A N THR 427.A O no hydrogen 3.080 N/A ASN 418.A N ASN 418.A OD1 no hydrogen 2.533 N/A TYR 425.A N ASN 418.A OD1 no hydrogen 2.936 N/A THR 426.A N HIS 579.A O no hydrogen 3.183 N/A THR 427.A N GLY 416.A O no hydrogen 2.875 N/A TRP 428.A N TYR 595.A OH no hydrogen 2.817 N/A TRP 428.A NE1 HIS 577.A O no hydrogen 2.624 N/A ARG 430.A N ILE 412.A O no hydrogen 3.053 N/A GLN 431.A N ARG 467.A O no hydrogen 2.941 N/A GLN 431.A NE2 ASP 434.A OD1 no hydrogen 2.565 N/A GLU 433.A N GLU 433.A OE1 no hydrogen 2.808 N/A ILE 435.A N GLN 431.A O no hydrogen 3.297 N/A LEU 436.A N LEU 432.A O no hydrogen 2.847 N/A ALA 437.A N GLU 433.A O no hydrogen 3.111 N/A LEU 438.A N ASP 434.A O no hydrogen 3.209 N/A VAL 439.A N ILE 435.A O no hydrogen 3.042 N/A ARG 440.A N LEU 436.A O no hydrogen 2.898 N/A ARG 440.A NH2 ASP 742.A OD1 no hydrogen 3.334 N/A ARG 440.A NH2 GLU 745.A OE1 no hydrogen 2.425 N/A ALA 441.A N ALA 437.A O no hydrogen 3.025 N/A TYR 442.A N LEU 438.A O no hydrogen 3.056 N/A VAL 443.A N VAL 439.A O no hydrogen 3.075 N/A VAL 443.A N ARG 440.A O no hydrogen 3.272 N/A ASP 444.A N ARG 440.A O no hydrogen 2.732 N/A LYS 445.A NZ ASP 446.A OD1 no hydrogen 3.192 N/A ASP 446.A N ASP 444.A OD1 no hydrogen 3.270 N/A ASN 447.A N ASP 444.A O no hydrogen 3.448 N/A LYS 449.A N ASN 447.A OD1 no hydrogen 3.005 N/A HIS 450.A N ASN 447.A O no hydrogen 3.128 N/A GLU 451.A N GLU 451.A OE1 no hydrogen 2.860 N/A LEU 453.A N LYS 449.A O no hydrogen 2.802 N/A HIS 454.A N HIS 450.A O no hydrogen 3.302 N/A HIS 454.A NE2 TYR 442.A O no hydrogen 3.039 N/A TYR 455.A N GLU 451.A O no hydrogen 3.130 N/A ALA 456.A N LEU 452.A O no hydrogen 2.927 N/A ILE 457.A N HIS 454.A O no hydrogen 3.323 N/A ILE 461.A N ALA 456.A O no hydrogen 3.321 N/A THR 462.A OG1 ILE 461.A O no hydrogen 2.464 N/A SER 469.A N ALA 429.A O no hydrogen 2.735 N/A HIS 476.A N TYR 487.A O no hydrogen 3.225 N/A LYS 478.A N TYR 485.A O no hydrogen 2.943 N/A PHE 480.A N TYR 483.A O no hydrogen 3.094 N/A TYR 483.A N PHE 480.A O no hydrogen 3.299 N/A TYR 485.A N LYS 478.A O no hydrogen 2.838 N/A SER 486.A N ASN 574.A O no hydrogen 3.258 N/A SER 486.A OG ASN 574.A OD1 no hydrogen 2.217 N/A TYR 487.A N HIS 476.A O no hydrogen 2.811 N/A TYR 487.A OH GLU 562.A O no hydrogen 2.871 N/A GLY 488.A N LEU 572.A O no hydrogen 2.554 N/A THR 489.A N GLU 503.A O no hydrogen 3.098 N/A THR 489.A OG1 LYS 474.A O no hydrogen 3.179 N/A TYR 490.A OH ASP 564.A OD2 no hydrogen 2.327 N/A ASP 491.A N THR 500.A O no hydrogen 2.606 N/A SER 493.A N ILE 498.A O no hydrogen 3.033 N/A GLN 495.A N GLN 495.A OE1 no hydrogen 2.608 N/A ASN 497.A ND2 LYS 546.A O no hydrogen 2.472 N/A ILE 498.A N SER 493.A O no hydrogen 3.377 N/A ILE 499.A N VAL 543.A O no hydrogen 2.903 N/A THR 500.A N ASP 491.A O no hydrogen 2.674 N/A ILE 501.A N ILE 541.A O no hydrogen 2.773 N/A THR 502.A N THR 489.A O no hydrogen 2.839 N/A THR 502.A OG1 THR 489.A O no hydrogen 3.141 N/A GLU 503.A N THR 489.A O no hydrogen 3.121 N/A LEU 506.A N SER 486.A OG no hydrogen 3.275 N/A ARG 507.A NE GLY 338.A O no hydrogen 2.609 N/A THR 510.A OG1 HIS 356.A ND1 no hydrogen 2.990 N/A VAL 511.A N HIS 356.A O no hydrogen 2.912 N/A TYR 513.A N PRO 509.A O no hydrogen 2.989 N/A ILE 514.A N THR 510.A O no hydrogen 3.064 N/A GLU 515.A N VAL 511.A O no hydrogen 3.179 N/A SER 516.A N ALA 512.A O no hydrogen 3.039 N/A SER 516.A OG TYR 513.A O no hydrogen 2.466 N/A ILE 517.A N TYR 513.A O no hydrogen 3.072 N/A LYS 518.A N ILE 514.A O no hydrogen 2.780 N/A LYS 519.A N GLU 515.A O no hydrogen 2.821 N/A SER 520.A N ILE 517.A O no hydrogen 3.262 N/A SER 520.A OG SER 516.A O no hydrogen 2.852 N/A ARG 523.A NH1 ASN 568.A O no hydrogen 2.427 N/A ARG 523.A NH1 PHE 569.A O no hydrogen 2.893 N/A MET 524.A N SER 520.A O no hydrogen 2.851 N/A PHE 526.A N ARG 523.A O no hydrogen 3.410 N/A ILE 527.A N MET 524.A O no hydrogen 3.153 N/A GLU 528.A N LYS 544.A O no hydrogen 3.018 N/A ILE 531.A N LEU 542.A O no hydrogen 2.963 N/A SER 534.A N ASP 532.A OD1 no hydrogen 3.285 N/A SER 534.A OG ASP 532.A OD1 no hydrogen 2.460 N/A SER 534.A OG ASP 532.A OD2 no hydrogen 3.432 N/A SER 535.A OG SER 536.A O no hydrogen 3.448 N/A ILE 541.A N ILE 501.A O no hydrogen 3.096 N/A LEU 542.A N ILE 531.A O no hydrogen 2.856 N/A VAL 543.A N ILE 499.A O no hydrogen 2.788 N/A LYS 544.A N GLU 529.A O no hydrogen 3.085 N/A LEU 545.A N ASN 497.A O no hydrogen 3.339 N/A LYS 546.A N PHE 526.A O no hydrogen 3.204 N/A LYS 546.A NZ THR 525.A O no hydrogen 2.931 N/A SER 549.A N LYS 546.A O no hydrogen 3.350 N/A SER 549.A OG PHE 526.A O no hydrogen 3.442 N/A SER 549.A OG LYS 546.A O no hydrogen 2.916 N/A GLU 556.A N ILE 553.A O no hydrogen 3.025 N/A PHE 557.A N ILE 553.A O no hydrogen 3.284 N/A LYS 558.A NZ GLU 555.A O no hydrogen 3.126 N/A GLN 563.A NE2 GLU 567.A O no hydrogen 2.524 N/A ASP 564.A N GLU 567.A OE1 no hydrogen 3.265 N/A SER 565.A N GLU 559.A OE1 no hydrogen 3.417 N/A SER 565.A N ASP 564.A OD1 no hydrogen 2.500 N/A SER 565.A OG GLU 559.A OE1 no hydrogen 2.970 N/A SER 565.A OG ASP 564.A OD1 no hydrogen 3.342 N/A ASN 568.A N SER 565.A O no hydrogen 3.076 N/A ASN 568.A ND2 PHE 557.A O no hydrogen 3.511 N/A PHE 569.A N SER 565.A O no hydrogen 2.535 N/A LEU 570.A N ILE 566.A O no hydrogen 2.803 N/A ARG 571.A NH2 SER 520.A OG no hydrogen 2.663 N/A ASN 574.A N SER 486.A O no hydrogen 3.332 N/A CYS 575.A SG HIS 577.A NE2 no hydrogen 3.148 N/A LEU 576.A N TYR 484.A O no hydrogen 2.962 N/A SER 578.A OG TYR 595.A OH no hydrogen 2.638 N/A HIS 579.A N THR 426.A O no hydrogen 2.864 N/A ASN 581.A N HIS 579.A O no hydrogen 2.907 N/A PHE 582.A N ILE 590.A O no hydrogen 3.218 N/A VAL 583.A N PRO 275.A O no hydrogen 3.095 N/A LYS 584.A N GLY 588.A O no hydrogen 3.082 N/A LYS 584.A NZ CYS 232.A O no hydrogen 2.509 N/A GLY 587.A N LYS 584.A O no hydrogen 3.055 N/A ILE 590.A N PHE 582.A O no hydrogen 2.825 N/A PHE 592.A N LEU 580.A O no hydrogen 3.191 N/A ASN 593.A N GLU 597.A OE1 no hydrogen 2.899 N/A TYR 595.A OH SER 578.A OG no hydrogen 2.638 N/A TYR 596.A OH LEU 464.A O no hydrogen 2.622 N/A GLU 597.A N SER 594.A O no hydrogen 3.223 N/A LEU 599.A N TYR 595.A O no hydrogen 3.310 N/A TYR 600.A N TYR 596.A O no hydrogen 2.706 N/A ALA 601.A N GLU 597.A O no hydrogen 2.750 N/A TRP 602.A N ILE 598.A O no hydrogen 2.971 N/A LEU 603.A N LEU 599.A O no hydrogen 3.164 N/A ARG 606.A N TRP 602.A O no hydrogen 3.322 N/A ARG 606.A NE ARG 606.A O no hydrogen 3.235 N/A ARG 606.A NH1 ASP 385.A OD2 no hydrogen 2.866 N/A ARG 606.A NH1 VAL 405.A O no hydrogen 2.652 N/A ARG 606.A NH2 ASP 385.A OD2 no hydrogen 2.547 N/A ARG 607.A N LEU 603.A O no hydrogen 2.877 N/A ARG 607.A NH1 TYR 442.A OH no hydrogen 3.333 N/A GLU 608.A N PRO 604.A O no hydrogen 2.974 N/A LEU 609.A N TYR 605.A O no hydrogen 3.254 N/A TYR 610.A N ARG 606.A O no hydrogen 3.352 N/A TYR 610.A OH GLU 740.A OE1 no hydrogen 2.249 N/A GLN 611.A N ARG 607.A O no hydrogen 3.462 N/A LYS 612.A N GLU 608.A O no hydrogen 2.753 N/A LYS 612.A NZ LEU 388.A O no hydrogen 3.160 N/A ARG 613.A N LEU 609.A O no hydrogen 2.726 N/A ARG 613.A NH1 GLU 740.A OE2 no hydrogen 2.545 N/A ARG 613.A NH2 ASP 385.A OD2 no hydrogen 2.763 N/A LEU 614.A N TYR 610.A O no hydrogen 3.048 N/A MET 615.A N GLN 611.A O no hydrogen 2.904 N/A ARG 616.A N LYS 612.A O no hydrogen 3.034 N/A ARG 616.A NE ALA 675.A O no hydrogen 3.022 N/A GLU 617.A N ARG 613.A O no hydrogen 2.983 N/A HIS 618.A N LEU 614.A O no hydrogen 2.731 N/A ALA 619.A N MET 615.A O no hydrogen 3.068 N/A VAL 620.A N ARG 616.A O no hydrogen 2.869 N/A LEU 621.A N GLU 617.A O no hydrogen 2.902 N/A LYS 622.A N HIS 618.A O no hydrogen 3.147 N/A LEU 623.A N ALA 619.A O no hydrogen 3.176 N/A ARG 624.A N VAL 620.A O no hydrogen 2.883 N/A ARG 624.A NE ILE 669.A O no hydrogen 3.157 N/A ILE 625.A N LEU 621.A O no hydrogen 2.832 N/A ILE 626.A N LYS 622.A O no hydrogen 3.042 N/A MET 627.A N LEU 623.A O no hydrogen 2.997 N/A GLU 628.A N ARG 624.A O no hydrogen 2.906 N/A THR 629.A N ILE 625.A O no hydrogen 2.818 N/A THR 629.A OG1 ILE 625.A O no hydrogen 2.626 N/A ALA 630.A N ILE 626.A O no hydrogen 2.976 N/A ILE 631.A N MET 627.A O no hydrogen 2.969 N/A VAL 632.A N GLU 628.A O no hydrogen 2.859 N/A ARG 633.A N THR 629.A O no hydrogen 2.706 N/A TYR 634.A N ALA 630.A O no hydrogen 2.759 N/A ILE 635.A N ILE 631.A O no hydrogen 3.184 N/A ASN 636.A N VAL 632.A O no hydrogen 3.265 N/A GLU 637.A N ARG 633.A O no hydrogen 2.923 N/A GLU 637.A N TYR 634.A O no hydrogen 3.105 N/A SER 638.A OG ILE 635.A O no hydrogen 3.199 N/A LEU 641.A N SER 638.A O no hydrogen 2.613 N/A ASN 642.A N SER 638.A O no hydrogen 3.054 N/A ALA 652.A N ASP 648.A O no hydrogen 2.914 N/A SER 653.A N LYS 650.A O no hydrogen 3.070 N/A SER 657.A N SER 653.A O no hydrogen 3.249 N/A SER 657.A N ARG 654.A O no hydrogen 3.127 N/A SER 657.A OG SER 653.A O no hydrogen 2.371 N/A GLY 660.A N LEU 656.A O no hydrogen 3.050 N/A ASN 665.A N ALA 684.A O no hydrogen 2.839 N/A ASN 665.A ND2 LYS 683.A O no hydrogen 3.115 N/A HIS 666.A NE2 THR 690.A OG1 no hydrogen 2.589 N/A THR 667.A OG1 HIS 666.A O no hydrogen 2.312 N/A SER 671.A OG GLU 673.A OE2 no hydrogen 3.475 N/A ALA 675.A N GLU 673.A O no hydrogen 2.672 N/A GLU 678.A N GLU 678.A OE2 no hydrogen 2.670 N/A GLU 679.A N SER 676.A OG no hydrogen 3.270 N/A LEU 680.A N SER 676.A O no hydrogen 2.732 N/A ASN 681.A N ILE 677.A O no hydrogen 3.023 N/A GLN 682.A N GLU 678.A O no hydrogen 3.496 N/A LYS 683.A N GLU 679.A O no hydrogen 3.268 N/A ALA 684.A N LEU 680.A O no hydrogen 2.960 N/A LEU 685.A N ASN 681.A O no hydrogen 3.526 N/A GLN 686.A N GLN 682.A O no hydrogen 3.125 N/A CYS 688.A SG ASN 665.A OD1 no hydrogen 3.284 N/A THR 690.A OG1 HIS 666.A NE2 no hydrogen 2.589 N/A TYR 691.A N TYR 689.A O no hydrogen 2.427 N/A TYR 691.A OH PRO 662.A O no hydrogen 3.332 N/A ARG 698.A N GLN 696.A OE1 no hydrogen 2.756 N/A GLU 699.A N GLN 696.A O no hydrogen 3.073 N/A LEU 700.A N ALA 697.A O no hydrogen 3.210 N/A LEU 701.A N ARG 698.A O no hydrogen 3.271 N/A LYS 705.A N LEU 701.A O no hydrogen 2.832 N/A THR 706.A N ILE 702.A O no hydrogen 3.072 N/A THR 706.A N ALA 703.A O no hydrogen 3.274 N/A THR 706.A OG1 ILE 702.A O no hydrogen 3.488 N/A THR 706.A OG1 ALA 703.A O no hydrogen 2.268 N/A ARG 708.A N ALA 704.A O no hydrogen 3.443 N/A ARG 708.A NH2 GLU 699.A OE1 no hydrogen 2.953 N/A VAL 709.A N LYS 705.A O no hydrogen 2.905 N/A GLU 710.A N THR 706.A O no hydrogen 2.784 N/A LYS 711.A N ARG 707.A O no hydrogen 2.675 N/A LYS 711.A NZ GLU 628.A OE2 no hydrogen 3.516 N/A ILE 712.A N ARG 708.A O no hydrogen 2.963 N/A LYS 713.A N VAL 709.A O no hydrogen 3.100 N/A LYS 714.A N GLU 710.A O no hydrogen 2.968 N/A MET 715.A N LYS 711.A O no hydrogen 2.950 N/A GLN 716.A N ILE 712.A O no hydrogen 2.718 N/A ALA 717.A N LYS 713.A O no hydrogen 2.882 N/A ARG 718.A N LYS 714.A O no hydrogen 3.048 N/A LEU 719.A N MET 715.A O no hydrogen 2.741 N/A ASP 720.A N GLN 716.A O no hydrogen 3.026 N/A LYS 721.A N ALA 717.A O no hydrogen 3.153 N/A VAL 722.A N ARG 718.A O no hydrogen 2.961 N/A GLU 723.A N LEU 719.A O no hydrogen 3.170 N/A GLN 724.A N ASP 720.A O no hydrogen 3.136 N/A LEU 725.A N LYS 721.A O no hydrogen 2.880 N/A LEU 726.A N VAL 722.A O no hydrogen 2.953 N/A GLN 727.A N GLN 724.A O no hydrogen 3.193 N/A GLU 728.A N LEU 725.A O no hydrogen 3.419 N/A GLY 733.A N LEU 725.A O no hydrogen 3.210 N/A ALA 734.A N GLU 728.A OE1 no hydrogen 2.381 N/A SER 735.A N GLU 728.A OE1 no hydrogen 3.284 N/A SER 735.A N GLU 728.A OE2 no hydrogen 3.343 N/A SER 735.A OG GLU 728.A OE2 no hydrogen 2.344 N/A TRP 737.A N GLY 733.A O no hydrogen 3.143 N/A TRP 737.A NE1 VAL 407.A O no hydrogen 3.347 N/A LEU 738.A N ALA 734.A O no hydrogen 3.042 N/A GLU 739.A N SER 735.A O no hydrogen 2.973 N/A GLU 740.A N VAL 736.A O no hydrogen 3.073 N/A ILE 741.A N TRP 737.A O no hydrogen 2.964 N/A ASP 742.A N LEU 738.A O no hydrogen 3.241 N/A ALA 743.A N GLU 739.A O no hydrogen 3.146 N/A VAL 744.A N GLU 740.A O no hydrogen 2.941 N/A GLU 745.A N ILE 741.A O no hydrogen 2.900 N/A LYS 746.A N ASP 742.A O no hydrogen 2.895 N/A ALA 747.A N ALA 743.A O no hydrogen 3.087 N/A ILE 748.A N VAL 744.A O no hydrogen 2.914 N/A ILE 749.A N GLU 745.A O no hydrogen 2.846 N/A LYS 750.A N LYS 746.A O no hydrogen 2.851 N/A GLY 751.A N ALA 747.A O no hydrogen 2.819 N/A ARG 752.A N ILE 748.A O no hydrogen 2.809 N/A ARG 752.A N ILE 749.A O no hydrogen 3.176 N/A ASN 753.A N ILE 749.A O no hydrogen 2.879 N/A THR 754.A N LYS 750.A O no hydrogen 3.416 N/A THR 754.A OG1 LYS 750.A O no hydrogen 3.396 N/A TRP 756.A N GLY 751.A O no hydrogen 2.943 N/A TRP 756.A NE1 PRO 344.A O no hydrogen 2.756 N/A LYS 757.A N THR 754.A OG1 no hydrogen 3.247 N/A LYS 757.A NZ GLY 348.A O no hydrogen 3.128 N/A PHE 758.A N THR 754.A OG1 no hydrogen 3.194 N/A HIS 759.A ND1 HIS 759.A O no hydrogen 2.654 N/A