Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ffw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE THR 2.A O no hydrogen 2.917 N/A ARG 1.A NH2 THR 2.A O no hydrogen 3.529 N/A THR 2.A OG1 THR 533.A OG1 no hydrogen 3.154 N/A TYR 3.A N SER 532.A OG no hydrogen 2.866 N/A THR 4.A N ASP 7.A OD2 no hydrogen 3.311 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.385 N/A TYR 8.A N THR 4.A O no hydrogen 3.389 N/A LEU 9.A N LEU 5.A O no hydrogen 2.948 N/A LYS 10.A N ALA 6.A O no hydrogen 2.878 N/A THR 12.A N ASP 7.A O no hydrogen 3.267 N/A LYS 16.A N ASN 460.A OD1 no hydrogen 3.121 N/A ARG 21.A N LEU 29.A O no hydrogen 3.396 N/A VAL 23.A N GLU 27.A O no hydrogen 3.166 N/A SER 24.A N GLU 27.A O no hydrogen 3.445 N/A SER 26.A N SER 24.A OG no hydrogen 3.330 N/A SER 26.A OG ASN 40.A OD1 no hydrogen 2.968 N/A TYR 28.A N PHE 39.A O no hydrogen 3.219 N/A LEU 29.A N ARG 21.A O no hydrogen 3.139 N/A TYR 30.A N LEU 37.A O no hydrogen 3.141 N/A GLN 32.A N ASN 35.A O no hydrogen 2.724 N/A ILE 36.A N LEU 50.A O no hydrogen 3.010 N/A LEU 37.A N TYR 30.A O no hydrogen 2.901 N/A LEU 38.A N SER 47.A O no hydrogen 2.706 N/A PHE 39.A N TYR 28.A O no hydrogen 3.020 N/A ALA 41.A N SER 26.A O no hydrogen 2.723 N/A GLU 42.A N ASN 40.A OD1 no hydrogen 3.240 N/A SER 47.A N LEU 38.A O no hydrogen 2.847 N/A PHE 49.A N ILE 36.A O no hydrogen 3.359 N/A LEU 50.A N ILE 36.A O no hydrogen 3.400 N/A ASN 52.A N ASN 35.A OD1 no hydrogen 2.596 N/A ASN 52.A ND2 ASN 35.A OD1 no hydrogen 2.816 N/A THR 54.A N GLU 51.A O no hydrogen 3.150 N/A THR 54.A OG1 GLU 51.A O no hydrogen 3.285 N/A GLU 56.A N ASN 52.A O no hydrogen 2.914 N/A ILE 57.A N SER 53.A O no hydrogen 3.135 N/A PHE 58.A N PHE 55.A O no hydrogen 2.748 N/A GLY 59.A N GLU 56.A O no hydrogen 3.061 N/A SER 61.A OG PHE 58.A O no hydrogen 2.662 N/A SER 63.A N GLU 77.A O no hydrogen 3.148 N/A SER 63.A OG GLU 77.A OE2 no hydrogen 3.226 N/A TYR 65.A N ASP 64.A OD1 no hydrogen 2.703 N/A SER 68.A N PHE 73.A O no hydrogen 2.752 N/A SER 68.A OG ASP 70.A OD1 no hydrogen 2.656 N/A SER 68.A OG PHE 73.A O no hydrogen 2.871 N/A ASP 70.A N GLY 121.A O no hydrogen 3.335 N/A ARG 71.A N SER 68.A O no hydrogen 2.985 N/A ARG 71.A NH1 GLU 27.A OE1 no hydrogen 3.415 N/A ARG 71.A NH1 GLU 27.A OE2 no hydrogen 3.525 N/A ARG 71.A NH2 GLU 27.A OE1 no hydrogen 3.203 N/A LEU 72.A N ASP 70.A OD1 no hydrogen 3.278 N/A PHE 73.A N SER 68.A OG no hydrogen 2.994 N/A VAL 74.A N TYR 95.A O no hydrogen 2.847 N/A LEU 75.A N SER 66.A O no hydrogen 2.779 N/A LEU 76.A N SER 93.A O no hydrogen 3.115 N/A GLU 77.A N ASP 64.A O no hydrogen 2.916 N/A TYR 78.A N SER 91.A O no hydrogen 3.085 N/A VAL 81.A N THR 89.A O no hydrogen 2.925 N/A LYS 82.A NZ TRP 84.A O no hydrogen 3.029 N/A LYS 82.A NZ ASP 702.A OD2 no hydrogen 3.434 N/A GLN 83.A N SER 87.A O no hydrogen 2.955 N/A GLN 83.A NE2 SER 87.A OG no hydrogen 3.164 N/A TRP 84.A N SER 87.A OG no hydrogen 2.943 N/A ARG 85.A NE GLU 165.A OE1 no hydrogen 3.069 N/A ARG 85.A NE GLU 165.A OE2 no hydrogen 3.357 N/A ARG 85.A NH2 GLU 165.A OE2 no hydrogen 3.187 N/A ARG 85.A NH2 ASN 673.A OD1 no hydrogen 3.469 N/A HIS 86.A N GLU 164.A OE2 no hydrogen 2.967 N/A SER 87.A N GLU 164.A OE2 no hydrogen 2.645 N/A SER 87.A OG GLU 164.A OE1 no hydrogen 2.983 N/A SER 87.A OG GLU 164.A OE2 no hydrogen 2.913 N/A TYR 88.A OH GLU 77.A OE1 no hydrogen 2.960 N/A THR 89.A N VAL 81.A O no hydrogen 2.965 N/A ALA 90.A N THR 112.A O no hydrogen 3.142 N/A SER 91.A N TYR 78.A O no hydrogen 2.802 N/A SER 91.A OG ASN 110.A OD1 no hydrogen 3.193 N/A TYR 92.A OH GLU 77.A OE1 no hydrogen 2.709 N/A SER 93.A N LEU 76.A O no hydrogen 3.385 N/A TYR 95.A N VAL 74.A O no hydrogen 2.806 N/A ASP 96.A N GLN 101.A O no hydrogen 3.129 N/A LEU 97.A N LEU 72.A O no hydrogen 2.820 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 3.067 N/A LYS 99.A N ASP 96.A OD1 no hydrogen 3.446 N/A ILE 103.A N ILE 94.A O no hydrogen 3.155 N/A LYS 107.A NZ THR 104.A O no hydrogen 3.286 N/A THR 112.A N ALA 90.A O no hydrogen 2.976 N/A THR 112.A OG1 PRO 109.A O no hydrogen 2.713 N/A GLN 113.A N VAL 127.A O no hydrogen 3.091 N/A GLN 113.A NE2 TYR 171.A OH no hydrogen 2.987 N/A THR 116.A N ALA 125.A O no hydrogen 3.147 N/A THR 116.A OG1 TRP 117.A O no hydrogen 2.869 N/A TRP 117.A NE1 SER 66.A O no hydrogen 2.787 N/A SER 118.A OG GLU 120.A O no hydrogen 2.547 N/A SER 118.A OG LYS 123.A O no hydrogen 3.403 N/A GLN 119.A NE2 TRP 176.A O no hydrogen 2.930 N/A LYS 123.A N SER 118.A OG no hydrogen 3.009 N/A LYS 123.A NZ GLY 180.A O no hydrogen 2.541 N/A LYS 123.A NZ ASP 234.A OD1 no hydrogen 2.704 N/A LEU 124.A N LYS 135.A O no hydrogen 2.914 N/A ALA 125.A N THR 116.A O no hydrogen 3.176 N/A TYR 126.A N TYR 133.A O no hydrogen 2.874 N/A TYR 126.A OH SER 142.A OG no hydrogen 2.867 N/A VAL 127.A N TRP 114.A O no hydrogen 2.935 N/A TRP 128.A N ASP 131.A O no hydrogen 2.838 N/A ASN 130.A N GLN 113.A OE1 no hydrogen 2.887 N/A ASP 131.A N TRP 128.A O no hydrogen 3.089 N/A TYR 133.A N TYR 126.A O no hydrogen 2.727 N/A VAL 134.A N HIS 143.A O no hydrogen 3.132 N/A LYS 135.A N LEU 124.A O no hydrogen 2.652 N/A LYS 135.A NZ GLU 106.A O no hydrogen 2.659 N/A LYS 135.A NZ LEU 140.A O no hydrogen 3.231 N/A LYS 135.A NZ SER 142.A OG no hydrogen 3.314 N/A LEU 140.A N GLU 137.A O no hydrogen 2.915 N/A SER 142.A OG TYR 126.A OH no hydrogen 2.867 N/A HIS 143.A N VAL 134.A O no hydrogen 2.861 N/A ARG 144.A NH1 THR 146.A O no hydrogen 3.563 N/A ILE 145.A N ILE 132.A O no hydrogen 3.137 N/A THR 146.A OG1 THR 148.A OG1 no hydrogen 3.245 N/A THR 148.A OG1 THR 146.A OG1 no hydrogen 3.245 N/A GLY 149.A N ASP 131.A OD1 no hydrogen 2.995 N/A LYS 150.A N ILE 154.A O no hydrogen 3.232 N/A VAL 153.A N LYS 150.A O no hydrogen 3.156 N/A PHE 155.A N PHE 188.A O no hydrogen 2.965 N/A ASN 156.A ND2 ASN 130.A O no hydrogen 3.037 N/A ASN 156.A ND2 ASP 131.A OD1 no hydrogen 3.343 N/A ASN 156.A ND2 THR 148.A OG1 no hydrogen 3.170 N/A GLY 157.A N ALA 186.A O no hydrogen 3.102 N/A ASN 159.A N TYR 171.A O no hydrogen 3.028 N/A ASN 159.A ND2 ALA 170.A O no hydrogen 2.739 N/A ASN 159.A ND2 SER 172.A O no hydrogen 3.217 N/A TRP 161.A NE1 ASP 672.A OD2 no hydrogen 2.688 N/A TYR 163.A N ASP 160.A OD1 no hydrogen 3.135 N/A GLU 164.A N ASP 160.A O no hydrogen 3.155 N/A GLU 165.A N TRP 161.A O no hydrogen 3.093 N/A GLU 166.A N VAL 162.A O no hydrogen 3.065 N/A PHE 168.A N TYR 163.A O no hydrogen 3.067 N/A ALA 173.A N GLY 157.A O no hydrogen 3.094 N/A TRP 175.A N ALA 184.A O no hydrogen 2.765 N/A SER 177.A N PHE 182.A O no hydrogen 2.939 N/A SER 177.A OG ASN 179.A O no hydrogen 2.586 N/A SER 177.A OG PHE 182.A O no hydrogen 2.799 N/A ASN 179.A N GLU 268.A OE2 no hydrogen 3.111 N/A THR 181.A N SER 177.A OG no hydrogen 3.180 N/A THR 181.A N ASN 179.A O no hydrogen 2.513 N/A THR 181.A OG1 ASP 234.A OD2 no hydrogen 3.055 N/A THR 181.A OG1 GLU 268.A OE1 no hydrogen 2.553 N/A PHE 182.A N SER 177.A OG no hydrogen 2.827 N/A LEU 183.A N VAL 231.A O no hydrogen 3.178 N/A ALA 184.A N TRP 175.A O no hydrogen 2.884 N/A TYR 185.A N PHE 229.A O no hydrogen 2.958 N/A ALA 186.A N ALA 173.A O no hydrogen 3.044 N/A GLN 187.A N LYS 227.A O no hydrogen 2.624 N/A GLN 187.A NE2 ASN 156.A OD1 no hydrogen 2.730 N/A PHE 188.A N PHE 155.A O no hydrogen 2.979 N/A ASN 189.A N THR 225.A O no hydrogen 3.127 N/A ASN 189.A ND2 VAL 153.A O no hydrogen 3.348 N/A ASN 189.A ND2 THR 191.A OG1 no hydrogen 2.807 N/A ASP 190.A N VAL 153.A O no hydrogen 2.764 N/A VAL 193.A N ASP 190.A O no hydrogen 3.015 N/A ILE 196.A N ILE 214.A O no hydrogen 2.993 N/A TYR 198.A N VAL 212.A O no hydrogen 3.078 N/A PHE 200.A N LYS 210.A O no hydrogen 2.676 N/A TYR 201.A N ASP 700.A OD1 no hydrogen 2.880 N/A LEU 206.A N ASP 203.A O no hydrogen 3.164 N/A LYS 210.A N PHE 200.A O no hydrogen 2.984 N/A VAL 212.A N TYR 198.A O no hydrogen 2.802 N/A ILE 214.A N ILE 196.A O no hydrogen 3.094 N/A TYR 216.A N PRO 194.A O no hydrogen 2.970 N/A LYS 218.A NZ TYR 624.A O no hydrogen 2.667 N/A LYS 218.A NZ HIS 675.A ND1 no hydrogen 3.301 N/A LYS 218.A NZ GLN 677.A OE1 no hydrogen 2.986 N/A ALA 219.A N TYR 625.A O no hydrogen 3.088 N/A GLY 220.A N GLU 631.A OE2 no hydrogen 2.845 N/A ALA 221.A N LYS 218.A O no hydrogen 2.834 N/A THR 225.A N ASN 189.A O no hydrogen 3.202 N/A LYS 227.A N GLN 187.A O no hydrogen 2.753 N/A PHE 229.A N TYR 185.A O no hydrogen 2.928 N/A ILE 230.A N MET 245.A O no hydrogen 2.896 N/A VAL 231.A N LEU 183.A O no hydrogen 3.361 N/A THR 233.A N THR 181.A O no hydrogen 2.695 N/A THR 233.A OG1 GLY 180.A O no hydrogen 2.955 N/A THR 233.A OG1 THR 181.A O no hydrogen 2.618 N/A SER 235.A OG ASN 232.A O no hydrogen 3.270 N/A SER 237.A OG THR 239.A OG1 no hydrogen 3.175 N/A SER 237.A OG THR 240.A OG1 no hydrogen 2.740 N/A THR 239.A OG1 SER 237.A OG no hydrogen 3.175 N/A THR 240.A N SER 237.A OG no hydrogen 3.383 N/A THR 240.A OG1 SER 237.A OG no hydrogen 2.740 N/A THR 242.A OG1 ARG 144.A O no hydrogen 3.431 N/A MET 245.A N ILE 230.A O no hydrogen 2.803 N/A ILE 247.A N PHE 228.A O no hydrogen 3.222 N/A SER 252.A OG TYR 282.A OH no hydrogen 3.109 N/A VAL 253.A N PRO 250.A O no hydrogen 3.029 N/A THR 254.A N PRO 250.A O no hydrogen 3.032 N/A THR 254.A OG1 PRO 250.A O no hydrogen 3.370 N/A THR 254.A OG1 ALA 251.A O no hydrogen 3.366 N/A THR 255.A OG1 SER 252.A O no hydrogen 3.051 N/A HIS 258.A ND1 GLY 256.A O no hydrogen 3.313 N/A TYR 259.A N LEU 276.A O no hydrogen 2.584 N/A CYS 261.A N GLN 274.A O no hydrogen 2.892 N/A CYS 261.A SG GLN 274.A O no hydrogen 3.894 N/A ALA 264.A N SER 272.A O no hydrogen 3.234 N/A TRP 265.A NE1 TRP 175.A O no hydrogen 3.017 N/A VAL 266.A N ARG 270.A O no hydrogen 3.254 N/A SER 267.A N ARG 270.A O no hydrogen 3.237 N/A ARG 270.A NE ASP 289.A OD2 no hydrogen 2.718 N/A ARG 270.A NH1 GLY 328.A O no hydrogen 2.684 N/A ILE 271.A N CYS 288.A O no hydrogen 2.986 N/A SER 272.A N ALA 264.A O no hydrogen 2.955 N/A SER 272.A OG ALA 264.A O no hydrogen 2.660 N/A LEU 273.A N ALA 286.A O no hydrogen 2.991 N/A GLN 274.A N ASP 262.A O no hydrogen 3.084 N/A TRP 275.A N VAL 284.A O no hydrogen 2.906 N/A ARG 277.A N TYR 282.A O no hydrogen 3.325 N/A ARG 277.A NE SER 252.A O no hydrogen 3.188 N/A ARG 277.A NH2 SER 252.A O no hydrogen 2.751 N/A ARG 278.A N ASP 257.A O no hydrogen 2.960 N/A ARG 278.A NE GLU 631.A OE1 no hydrogen 2.952 N/A ARG 278.A NH1 ALA 221.A O no hydrogen 3.322 N/A ARG 278.A NH1 ASP 257.A OD2 no hydrogen 3.273 N/A ARG 278.A NH2 ALA 221.A O no hydrogen 2.630 N/A ARG 278.A NH2 GLU 631.A OE2 no hydrogen 2.963 N/A GLN 280.A NE2 VAL 628.A O no hydrogen 2.683 N/A ASN 281.A N ILE 279.A O no hydrogen 2.747 N/A ASN 281.A ND2 ILE 279.A O no hydrogen 3.119 N/A TYR 282.A OH SER 252.A OG no hydrogen 3.109 N/A SER 283.A N GLU 307.A O no hydrogen 2.975 N/A SER 283.A OG TRP 275.A O no hydrogen 2.864 N/A VAL 284.A N TRP 275.A O no hydrogen 3.282 N/A MET 285.A N HIS 305.A O no hydrogen 3.005 N/A ALA 286.A N LEU 273.A O no hydrogen 2.987 N/A ILE 287.A N GLN 303.A O no hydrogen 3.007 N/A CYS 288.A N ILE 271.A O no hydrogen 2.811 N/A CYS 288.A SG ALA 286.A O no hydrogen 3.979 N/A ASP 289.A N ASN 298.A O no hydrogen 2.857 N/A TYR 290.A N ASP 269.A O no hydrogen 2.992 N/A ASP 291.A N VAL 296.A O no hydrogen 3.355 N/A THR 293.A N ASP 291.A OD1 no hydrogen 3.347 N/A THR 293.A OG1 ASP 291.A OD1 no hydrogen 3.046 N/A THR 294.A OG1 ASP 291.A OD2 no hydrogen 2.685 N/A ASN 298.A N ASP 289.A O no hydrogen 2.838 N/A CYS 299.A SG TRP 297.A O no hydrogen 3.813 N/A GLN 303.A N PRO 300.A O no hydrogen 3.357 N/A GLN 303.A NE2 ILE 287.A O no hydrogen 2.745 N/A GLN 303.A NE2 ASP 289.A OD1 no hydrogen 3.193 N/A GLU 304.A N THR 301.A O no hydrogen 3.327 N/A HIS 305.A N MET 285.A O no hydrogen 3.098 N/A GLU 307.A N SER 283.A O no hydrogen 2.731 N/A THR 311.A OG1 HIS 555.A ND1 no hydrogen 2.874 N/A GLY 312.A N SER 309.A OG no hydrogen 3.246 N/A TRP 313.A NE1 ARG 316.A O no hydrogen 2.702 N/A CYS 314.A SG GLU 307.A O no hydrogen 3.993 N/A ARG 316.A NH1 ILE 368.A O no hydrogen 2.966 N/A ARG 316.A NH2 GLU 366.A OE1 no hydrogen 3.227 N/A ARG 316.A NH2 VAL 367.A O no hydrogen 2.686 N/A HIS 323.A N TYR 332.A O no hydrogen 2.768 N/A THR 325.A N SER 330.A O no hydrogen 3.012 N/A THR 325.A OG1 ASP 327.A OD1 no hydrogen 2.730 N/A THR 325.A OG1 ASP 327.A OD2 no hydrogen 3.292 N/A THR 325.A OG1 SER 330.A O no hydrogen 3.271 N/A SER 329.A N ASP 327.A OD1 no hydrogen 2.783 N/A PHE 331.A N PHE 347.A O no hydrogen 3.092 N/A TYR 332.A N HIS 323.A O no hydrogen 3.104 N/A LYS 333.A NZ GLN 274.A OE1 no hydrogen 2.855 N/A LYS 333.A NZ GLU 307.A OE1 no hydrogen 2.680 N/A LYS 333.A NZ ALA 320.A O no hydrogen 3.537 N/A VAL 335.A N HIS 343.A O no hydrogen 2.787 N/A SER 336.A OG ASP 551.A OD2 no hydrogen 2.741 N/A ASP 337.A N TYR 341.A O no hydrogen 2.832 N/A GLY 340.A N ASP 337.A O no hydrogen 3.225 N/A LYS 342.A NZ SER 336.A OG no hydrogen 2.751 N/A LYS 342.A NZ ASP 551.A OD1 no hydrogen 3.098 N/A LYS 342.A NZ ASP 551.A OD2 no hydrogen 2.829 N/A HIS 343.A N VAL 335.A O no hydrogen 2.864 N/A HIS 343.A ND1 THR 361.A OG1 no hydrogen 2.923 N/A HIS 343.A NE2 GLY 363.A O no hydrogen 3.270 N/A CYS 345.A N LYS 333.A O no hydrogen 3.155 N/A GLN 346.A N THR 358.A O no hydrogen 2.772 N/A PHE 347.A N PHE 331.A O no hydrogen 3.015 N/A LYS 349.A NZ SER 329.A OG no hydrogen 3.321 N/A ARG 351.A N THR 302.A O no hydrogen 3.031 N/A GLN 355.A N LYS 352.A O no hydrogen 2.787 N/A THR 358.A N GLN 346.A O no hydrogen 3.442 N/A ILE 360.A N ILE 344.A O no hydrogen 3.003 N/A THR 361.A OG1 HIS 343.A ND1 no hydrogen 2.923 N/A TRP 365.A N GLY 363.A O no hydrogen 2.786 N/A GLU 366.A N ASN 383.A OD1 no hydrogen 2.964 N/A VAL 367.A N LYS 342.A O no hydrogen 2.914 N/A ILE 368.A N ILE 381.A O no hydrogen 2.630 N/A THR 374.A N TYR 377.A O no hydrogen 2.953 N/A THR 374.A OG1 TYR 377.A O no hydrogen 2.744 N/A TYR 377.A N THR 374.A OG1 no hydrogen 2.913 N/A LEU 378.A N ILE 397.A O no hydrogen 2.801 N/A TYR 379.A N ALA 372.A O no hydrogen 3.030 N/A TYR 380.A N TYR 395.A O no hydrogen 3.281 N/A ILE 381.A N SER 369.A O no hydrogen 3.094 N/A SER 382.A N ASN 393.A O no hydrogen 3.303 N/A ASN 383.A N GLU 366.A O no hydrogen 3.333 N/A ASN 383.A ND2 TYR 548.A O no hydrogen 2.856 N/A GLU 387.A N GLU 384.A O no hydrogen 2.765 N/A GLY 391.A N MET 388.A O no hydrogen 3.072 N/A ARG 392.A N GLN 418.A O no hydrogen 3.010 N/A ARG 392.A NE GLY 391.A O no hydrogen 3.080 N/A ARG 392.A NH2 PRO 389.A O no hydrogen 3.020 N/A ASN 393.A N SER 382.A O no hydrogen 3.346 N/A ASN 393.A ND2 SER 409.A OG no hydrogen 3.039 N/A LEU 394.A N SER 409.A OG no hydrogen 2.775 N/A TYR 395.A N TYR 380.A O no hydrogen 2.739 N/A LYS 396.A N LYS 406.A O no hydrogen 3.267 N/A ILE 397.A N LEU 378.A O no hydrogen 2.983 N/A GLN 398.A N ASN 404.A O no hydrogen 3.289 N/A THR 403.A OG1 ASP 401.A OD1 no hydrogen 2.614 N/A ASN 404.A N ASP 401.A O no hydrogen 3.332 N/A LYS 405.A NZ TYR 380.A OH no hydrogen 2.890 N/A LYS 405.A NZ GLU 384.A OE1 no hydrogen 2.937 N/A LYS 406.A N LYS 396.A O no hydrogen 2.769 N/A CYS 407.A SG LEU 394.A O no hydrogen 3.730 N/A LEU 408.A N LEU 394.A O no hydrogen 2.853 N/A ARG 416.A NE LEU 440.A O no hydrogen 2.879 N/A ARG 416.A NH2 LEU 440.A O no hydrogen 3.183 N/A ARG 416.A NH2 ASP 459.A O no hydrogen 2.706 N/A CYS 417.A N ASN 413.A O no hydrogen 2.780 N/A GLN 418.A N GLY 437.A O no hydrogen 2.974 N/A TYR 420.A N ARG 392.A O no hydrogen 2.805 N/A SER 421.A N GLY 434.A O no hydrogen 2.896 N/A SER 421.A OG GLY 434.A O no hydrogen 3.085 N/A SER 423.A N GLN 432.A O no hydrogen 3.220 N/A SER 425.A N TYR 430.A O no hydrogen 2.969 N/A SER 425.A OG ASP 25.A O no hydrogen 3.438 N/A SER 425.A OG ASP 25.A OD1 no hydrogen 2.672 N/A SER 425.A OG TYR 430.A O no hydrogen 2.961 N/A LYS 426.A NZ TRP 22.A O no hydrogen 2.658 N/A GLU 427.A N ASP 25.A OD1 no hydrogen 3.115 N/A LYS 429.A N ASP 25.A OD1 no hydrogen 3.260 N/A LYS 429.A N SER 425.A OG no hydrogen 2.889 N/A TYR 430.A N SER 425.A OG no hydrogen 3.106 N/A TYR 431.A N HIS 446.A O no hydrogen 3.255 N/A GLN 432.A N SER 423.A O no hydrogen 3.304 N/A GLN 432.A NE2 TYR 18.A O no hydrogen 2.719 N/A LEU 433.A N THR 444.A O no hydrogen 3.106 N/A GLY 434.A N SER 421.A O no hydrogen 2.565 N/A CYS 435.A N LEU 442.A O no hydrogen 2.920 N/A CYS 435.A SG ARG 416.A O no hydrogen 3.775 N/A ARG 436.A N TYR 419.A O no hydrogen 2.843 N/A GLY 439.A N ARG 416.A O no hydrogen 2.911 N/A LEU 442.A N CYS 435.A O no hydrogen 2.960 N/A TYR 443.A N GLU 458.A O no hydrogen 2.761 N/A THR 444.A N LEU 433.A O no hydrogen 3.414 N/A LEU 445.A N ARG 455.A O no hydrogen 3.075 N/A ARG 447.A N LYS 452.A O no hydrogen 3.415 N/A ARG 447.A NH1 LYS 429.A O no hydrogen 3.350 N/A SER 448.A N LYS 429.A O no hydrogen 2.919 N/A SER 448.A OG ALA 428.A O no hydrogen 2.705 N/A THR 449.A OG1 ASP 450.A OD1 no hydrogen 3.157 N/A ASP 450.A N ASP 450.A OD1 no hydrogen 2.688 N/A GLN 451.A NE2 THR 449.A O no hydrogen 3.097 N/A LEU 454.A N LEU 445.A O no hydrogen 3.106 N/A LEU 457.A N TYR 443.A O no hydrogen 2.731 N/A GLU 458.A N TYR 443.A O no hydrogen 3.010 N/A ASN 460.A N GLU 458.A OE2 no hydrogen 3.171 N/A ASN 460.A ND2 LYS 16.A O no hydrogen 3.104 N/A ASN 460.A ND2 PRO 441.A O no hydrogen 2.980 N/A SER 461.A N ASP 459.A OD1 no hydrogen 3.420 N/A SER 461.A OG ASP 459.A OD1 no hydrogen 3.189 N/A SER 461.A OG ASP 459.A OD2 no hydrogen 3.283 N/A ASP 464.A N ASN 460.A O no hydrogen 3.129 N/A LYS 465.A N SER 461.A O no hydrogen 3.051 N/A MET 466.A N LEU 463.A O no hydrogen 3.167 N/A LEU 467.A N LEU 463.A O no hydrogen 3.152 N/A GLN 471.A N ARG 1.A O no hydrogen 3.305 N/A SER 474.A N LEU 493.A O no hydrogen 3.084 N/A LYS 475.A NZ GLN 490.A OE1 no hydrogen 3.148 N/A LYS 475.A NZ ASP 519.A O no hydrogen 2.656 N/A LYS 475.A NZ ASP 519.A OD1 no hydrogen 3.106 N/A LYS 475.A NZ ALA 521.A O no hydrogen 2.689 N/A LYS 476.A N MET 491.A O no hydrogen 3.034 N/A LYS 476.A NZ TYR 489.A OH no hydrogen 3.293 N/A ASP 478.A N TYR 489.A O no hydrogen 3.176 N/A PHE 479.A N ASP 478.A OD1 no hydrogen 2.757 N/A ILE 480.A N PHE 487.A O no hydrogen 3.106 N/A LEU 482.A N THR 485.A O no hydrogen 2.948 N/A THR 485.A N LEU 482.A O no hydrogen 3.092 N/A THR 485.A OG1 ASN 483.A O no hydrogen 3.329 N/A ARG 486.A NH1 GLU 387.A OE1 no hydrogen 2.739 N/A PHE 487.A N ILE 480.A O no hydrogen 3.115 N/A TYR 489.A N ASP 478.A O no hydrogen 2.697 N/A GLN 490.A N SER 540.A O no hydrogen 2.933 N/A MET 491.A N LYS 476.A O no hydrogen 3.267 N/A ILE 492.A N VAL 538.A O no hydrogen 2.706 N/A LEU 493.A N SER 474.A O no hydrogen 2.881 N/A ASP 498.A N TYR 503.A OH no hydrogen 3.387 N/A SER 500.A N ASP 498.A OD1 no hydrogen 3.448 N/A SER 500.A OG ASP 498.A OD1 no hydrogen 3.049 N/A SER 500.A OG ASP 498.A OD2 no hydrogen 2.849 N/A TYR 503.A N PHE 581.A O no hydrogen 2.972 N/A LEU 505.A N ARG 586.A O no hydrogen 3.178 N/A LEU 506.A N ILE 537.A O no hydrogen 2.778 N/A ILE 507.A N ALA 588.A O no hydrogen 2.803 N/A ASP 508.A N ALA 539.A O no hydrogen 2.702 N/A VAL 509.A N TRP 590.A O no hydrogen 3.085 N/A CYS 514.A N GLY 545.A O no hydrogen 2.944 N/A SER 515.A N GLY 512.A O no hydrogen 3.160 N/A SER 515.A OG GLY 512.A O no hydrogen 2.761 N/A GLN 516.A NE2 PRO 389.A O no hydrogen 2.842 N/A LYS 517.A N ASP 542.A OD1 no hydrogen 2.850 N/A LYS 517.A NZ ASP 508.A OD1 no hydrogen 3.312 N/A ALA 518.A N ASP 542.A OD2 no hydrogen 3.087 N/A ASP 519.A N GLN 490.A OE1 no hydrogen 2.926 N/A ALA 521.A N ASP 519.A OD1 no hydrogen 3.140 N/A ARG 523.A NH1 ASP 519.A OD1 no hydrogen 2.928 N/A ARG 523.A NH1 ASP 519.A OD2 no hydrogen 3.570 N/A ARG 523.A NH2 ASP 519.A OD2 no hydrogen 3.082 N/A TRP 526.A NE1 SER 719.A OG no hydrogen 2.992 N/A ALA 527.A N ASN 525.A OD1 no hydrogen 3.208 N/A THR 528.A OG1 ASN 525.A O no hydrogen 2.666 N/A LEU 530.A N TRP 526.A O no hydrogen 3.292 N/A ALA 531.A N ALA 527.A O no hydrogen 3.154 N/A SER 532.A N THR 528.A O no hydrogen 2.738 N/A SER 532.A OG GLN 471.A O no hydrogen 2.670 N/A THR 533.A N TYR 529.A O no hydrogen 2.842 N/A THR 533.A OG1 THR 2.A OG1 no hydrogen 3.154 N/A THR 533.A OG1 TYR 3.A O no hydrogen 2.727 N/A THR 533.A OG1 TYR 529.A O no hydrogen 3.447 N/A ILE 536.A N LEU 530.A O no hydrogen 2.657 N/A ILE 537.A N PRO 504.A O no hydrogen 2.946 N/A ALA 539.A N LEU 506.A O no hydrogen 2.860 N/A SER 540.A N GLN 490.A O no hydrogen 2.923 N/A SER 540.A OG ASP 508.A O no hydrogen 3.328 N/A ASP 542.A N TRP 488.A O no hydrogen 3.284 N/A ARG 544.A N ASP 568.A OD2 no hydrogen 3.177 N/A ARG 544.A NE ASP 568.A OD2 no hydrogen 2.929 N/A ARG 544.A NH2 ASP 568.A OD1 no hydrogen 3.161 N/A GLY 545.A N ILE 553.A O no hydrogen 2.952 N/A SER 546.A N GLY 543.A O no hydrogen 3.254 N/A SER 546.A OG ASP 542.A O no hydrogen 3.245 N/A SER 546.A OG GLY 543.A O no hydrogen 2.616 N/A GLY 547.A N SER 515.A O no hydrogen 3.464 N/A GLY 550.A N GLU 366.A OE2 no hydrogen 2.763 N/A ASP 551.A N GLY 340.A O no hydrogen 2.686 N/A MET 554.A N GLY 550.A O no hydrogen 3.490 N/A HIS 555.A N ASP 551.A O no hydrogen 3.122 N/A HIS 555.A ND1 THR 311.A OG1 no hydrogen 2.874 N/A ALA 556.A N ILE 553.A O no hydrogen 3.442 N/A ASN 558.A N HIS 555.A O no hydrogen 3.377 N/A LYS 559.A N TYR 633.A O no hydrogen 2.719 N/A LYS 559.A NZ ASP 641.A OD1 no hydrogen 2.982 N/A ARG 560.A N ILE 557.A O no hydrogen 2.942 N/A THR 563.A N GLU 565.A OE2 no hydrogen 3.292 N/A GLU 565.A N GLU 565.A OE2 no hydrogen 2.765 N/A ASP 568.A N LEU 564.A O no hydrogen 2.883 N/A GLN 569.A NE2 PHE 541.A O no hydrogen 3.639 N/A ILE 570.A N VAL 566.A O no hydrogen 3.316 N/A GLU 571.A N GLU 567.A O no hydrogen 2.833 N/A ALA 572.A N ASP 568.A O no hydrogen 2.994 N/A ALA 573.A N GLN 569.A O no hydrogen 3.386 N/A ARG 574.A N ILE 570.A O no hydrogen 3.084 N/A GLN 575.A N GLU 571.A O no hydrogen 3.070 N/A PHE 576.A N ALA 572.A O no hydrogen 3.200 N/A LEU 577.A N ALA 573.A O no hydrogen 3.101 N/A LYS 578.A N ARG 574.A O no hydrogen 3.272 N/A ASP 583.A N TYR 503.A O no hydrogen 2.640 N/A LYS 585.A N ASP 583.A OD1 no hydrogen 3.441 N/A ARG 586.A N ASP 583.A O no hydrogen 3.144 N/A ARG 586.A NE ASP 583.A OD2 no hydrogen 2.865 N/A ARG 586.A NH2 ASP 583.A OD2 no hydrogen 3.236 N/A ALA 588.A N LEU 505.A O no hydrogen 2.934 N/A ILE 589.A N CYS 612.A O no hydrogen 3.423 N/A TRP 590.A N ILE 507.A O no hydrogen 3.050 N/A TRP 590.A NE1 ASP 508.A OD2 no hydrogen 3.008 N/A GLY 591.A N ILE 614.A O no hydrogen 3.174 N/A TRP 592.A NE1 HIS 703.A O no hydrogen 2.971 N/A SER 593.A N VAL 616.A O no hydrogen 2.944 N/A SER 593.A OG HIS 703.A NE2 no hydrogen 2.992 N/A TYR 594.A OH GLU 565.A OE1 no hydrogen 2.978 N/A GLY 595.A N TRP 592.A O no hydrogen 2.868 N/A GLY 596.A N SER 593.A O no hydrogen 3.229 N/A TYR 597.A OH SER 649.A O no hydrogen 2.614 N/A VAL 598.A N TYR 594.A O no hydrogen 2.939 N/A THR 599.A N GLY 595.A O no hydrogen 2.752 N/A THR 599.A OG1 GLY 595.A O no hydrogen 2.750 N/A SER 600.A N GLY 596.A O no hydrogen 2.981 N/A SER 600.A OG GLY 596.A O no hydrogen 2.590 N/A SER 600.A OG TYR 663.A OH no hydrogen 2.852 N/A MET 601.A N TYR 597.A O no hydrogen 2.865 N/A VAL 602.A N VAL 598.A O no hydrogen 2.808 N/A LEU 603.A N THR 599.A O no hydrogen 2.925 N/A GLY 604.A N SER 600.A O no hydrogen 3.001 N/A SER 605.A N VAL 602.A O no hydrogen 3.212 N/A SER 605.A OG VAL 602.A O no hydrogen 2.563 N/A VAL 609.A N SER 607.A OG no hydrogen 3.294 N/A LYS 611.A N VAL 587.A O no hydrogen 2.705 N/A LYS 611.A NZ CYS 725.A O no hydrogen 3.148 N/A GLY 613.A N GLU 662.A O no hydrogen 3.082 N/A ILE 614.A N ILE 589.A O no hydrogen 3.168 N/A ALA 615.A N LEU 664.A O no hydrogen 2.978 N/A VAL 616.A N GLY 591.A O no hydrogen 3.081 N/A ALA 617.A N ILE 666.A O no hydrogen 2.702 N/A SER 620.A N GLN 678.A OE1 no hydrogen 2.696 N/A SER 620.A OG GLN 678.A O no hydrogen 3.341 N/A SER 620.A OG GLN 678.A OE1 no hydrogen 3.177 N/A GLU 623.A N GLU 623.A OE2 no hydrogen 2.750 N/A TYR 624.A N ARG 621.A O no hydrogen 3.306 N/A TYR 625.A OH GLU 166.A OE2 no hydrogen 3.199 N/A SER 627.A N PRO 217.A O no hydrogen 2.825 N/A SER 627.A OG PRO 217.A O no hydrogen 3.410 N/A SER 627.A OG ASN 223.A OD1 no hydrogen 2.703 N/A TYR 629.A N ASP 626.A OD1 no hydrogen 2.995 N/A THR 630.A N ASP 626.A O no hydrogen 3.234 N/A THR 630.A OG1 ASP 626.A O no hydrogen 2.603 N/A GLU 631.A N SER 627.A O no hydrogen 2.767 N/A ARG 632.A NE TYR 633.A OH no hydrogen 3.422 N/A ARG 632.A NH2 TYR 633.A OH no hydrogen 3.035 N/A TYR 633.A N THR 630.A O no hydrogen 3.231 N/A MET 634.A N THR 630.A O no hydrogen 2.764 N/A GLY 635.A N GLU 631.A O no hydrogen 3.122 N/A LEU 636.A N ASP 641.A OD2 no hydrogen 3.147 N/A GLU 640.A N GLU 640.A OE2 no hydrogen 2.678 N/A ASP 641.A N THR 638.A O no hydrogen 3.008 N/A ASN 642.A ND2 LYS 559.A O no hydrogen 3.378 N/A ASN 642.A ND2 MET 634.A O no hydrogen 2.716 N/A LEU 643.A N THR 638.A O no hydrogen 3.095 N/A TYR 646.A N ASN 642.A O no hydrogen 3.303 N/A TYR 646.A OH GLY 635.A O no hydrogen 2.633 N/A ARG 647.A N LEU 643.A O no hydrogen 3.085 N/A ASN 648.A N ASP 644.A O no hydrogen 3.029 N/A SER 649.A N HIS 645.A O no hydrogen 2.970 N/A SER 649.A OG HIS 645.A O no hydrogen 2.969 N/A THR 650.A OG1 SER 653.A OG no hydrogen 2.907 N/A VAL 651.A N SER 620.A O no hydrogen 2.907 N/A SER 653.A N THR 650.A OG1 no hydrogen 3.327 N/A SER 653.A OG THR 650.A O no hydrogen 2.692 N/A SER 653.A OG THR 650.A OG1 no hydrogen 2.907 N/A ARG 654.A N VAL 651.A O no hydrogen 3.081 N/A ALA 655.A N MET 652.A O no hydrogen 3.291 N/A ASN 657.A N ARG 654.A O no hydrogen 3.359 N/A ASN 657.A ND2 GLY 604.A O no hydrogen 2.737 N/A PHE 658.A N ALA 655.A O no hydrogen 3.256 N/A LYS 659.A NZ GLU 656.A OE1 no hydrogen 3.166 N/A GLN 660.A N ASN 657.A O no hydrogen 3.297 N/A VAL 661.A N PHE 658.A O no hydrogen 3.303 N/A GLU 662.A N LYS 611.A O no hydrogen 3.210 N/A TYR 663.A OH SER 600.A OG no hydrogen 2.852 N/A LEU 664.A N GLY 613.A O no hydrogen 3.077 N/A LEU 665.A N GLN 694.A O no hydrogen 2.895 N/A ILE 666.A N ALA 615.A O no hydrogen 2.994 N/A HIS 667.A N MET 696.A O no hydrogen 3.373 N/A HIS 667.A ND1 SER 679.A OG no hydrogen 2.538 N/A HIS 667.A NE2 VAL 674.A O no hydrogen 2.523 N/A THR 669.A N TYR 698.A O no hydrogen 2.935 N/A THR 669.A OG1 TYR 698.A O no hydrogen 3.497 N/A ALA 670.A N GLU 701.A O no hydrogen 3.118 N/A ASP 671.A N GLY 668.A O no hydrogen 3.355 N/A ASN 673.A N ASP 671.A OD1 no hydrogen 2.752 N/A ASN 673.A ND2 TYR 625.A OH no hydrogen 2.671 N/A VAL 674.A N ASP 671.A OD1 no hydrogen 3.030 N/A GLN 678.A N HIS 675.A O no hydrogen 3.008 N/A SER 679.A OG HIS 667.A ND1 no hydrogen 2.538 N/A ALA 680.A N PHE 676.A O no hydrogen 2.958 N/A GLN 681.A N GLN 677.A O no hydrogen 2.865 N/A ILE 682.A N GLN 678.A O no hydrogen 3.097 N/A SER 683.A N SER 679.A O no hydrogen 2.849 N/A SER 683.A OG SER 679.A O no hydrogen 3.027 N/A SER 683.A OG ALA 680.A O no hydrogen 2.828 N/A LYS 684.A N ALA 680.A O no hydrogen 3.139 N/A LYS 684.A NZ GLN 681.A OE1 no hydrogen 2.932 N/A ALA 685.A N GLN 681.A O no hydrogen 3.003 N/A LEU 686.A N ILE 682.A O no hydrogen 3.026 N/A VAL 687.A N SER 683.A O no hydrogen 2.976 N/A ASP 688.A N LYS 684.A O no hydrogen 3.128 N/A ALA 689.A N ALA 685.A O no hydrogen 2.957 N/A GLY 690.A N VAL 687.A O no hydrogen 3.075 N/A VAL 691.A N LEU 686.A O no hydrogen 2.914 N/A GLN 694.A N TYR 663.A O no hydrogen 2.831 N/A MET 696.A N LEU 665.A O no hydrogen 2.973 N/A TRP 697.A NE1 THR 699.A OG1 no hydrogen 3.145 N/A TYR 698.A N HIS 667.A O no hydrogen 3.211 N/A TYR 698.A OH HIS 713.A ND1 no hydrogen 2.801 N/A ASP 700.A N THR 669.A OG1 no hydrogen 2.760 N/A GLU 701.A N TYR 698.A O no hydrogen 3.331 N/A HIS 703.A ND1 ASP 671.A OD2 no hydrogen 2.834 N/A HIS 703.A NE2 SER 593.A OG no hydrogen 2.992 N/A GLY 704.A N ASP 702.A OD1 no hydrogen 2.920 N/A HIS 711.A N SER 707.A O no hydrogen 2.709 N/A GLN 712.A N SER 708.A O no hydrogen 3.080 N/A HIS 713.A N THR 709.A O no hydrogen 3.054 N/A HIS 713.A ND1 TYR 698.A OH no hydrogen 2.801 N/A ILE 714.A N ALA 710.A O no hydrogen 3.164 N/A SER 716.A N GLN 712.A O no hydrogen 3.186 N/A SER 716.A OG GLN 712.A O no hydrogen 2.758 N/A HIS 717.A N HIS 713.A O no hydrogen 2.810 N/A MET 718.A N ILE 714.A O no hydrogen 2.846 N/A SER 719.A N TYR 715.A O no hydrogen 3.093 N/A SER 719.A OG TYR 715.A O no hydrogen 2.605 N/A HIS 720.A N SER 716.A O no hydrogen 3.064 N/A PHE 721.A N HIS 717.A O no hydrogen 3.129 N/A LEU 722.A N MET 718.A O no hydrogen 3.125 N/A GLN 723.A N SER 719.A O no hydrogen 3.044 N/A GLN 723.A NE2 GLU 534.A OE2 no hydrogen 3.230 N/A GLN 724.A N HIS 720.A O no hydrogen 2.957 N/A GLN 724.A NE2 GLU 662.A OE1 no hydrogen 3.392 N/A CYS 725.A N PHE 721.A O no hydrogen 2.825 N/A PHE 726.A N LEU 722.A O no hydrogen 2.827 N/A SER 727.A N GLN 723.A O no hydrogen 2.887 N/A