Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7m3e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE PRO 3.A O no hydrogen 3.172 N/A ARG 6.A NH2 PRO 3.A O no hydrogen 2.414 N/A ALA 7.A N ILE 78.A O no hydrogen 2.972 N/A GLN 8.A N HIS 321.A O no hydrogen 3.109 N/A LYS 9.A N TYR 76.A O no hydrogen 2.915 N/A ASP 12.A N THR 73.A OG1 no hydrogen 3.267 N/A LEU 15.A N GLY 75.A O no hydrogen 3.353 N/A GLY 16.A N ALA 117.A O no hydrogen 2.719 N/A LEU 18.A N VAL 119.A O no hydrogen 3.328 N/A ILE 21.A N PHE 19.A O no hydrogen 3.187 N/A ILE 21.A N ASP 80.A OD1 no hydrogen 2.971 N/A HIS 22.A ND1 ASP 80.A OD2 no hydrogen 3.279 N/A HIS 22.A NE2 GLU 327.A OE2 no hydrogen 3.135 N/A PHE 23.A N ARG 43.A O no hydrogen 3.098 N/A ALA 26.A N GLU 40.A O no hydrogen 3.096 N/A ASP 31.A N GLN 30.A OE1 no hydrogen 2.845 N/A SER 34.A OG GLN 30.A O no hydrogen 3.014 N/A ILE 42.A N GLY 24.A O no hydrogen 3.136 N/A ARG 43.A NH1 GLU 254.A OE1 no hydrogen 3.112 N/A ASN 45.A N ILE 21.A O no hydrogen 2.972 N/A ASN 45.A ND2 PRO 20.A O no hydrogen 3.039 N/A ARG 50.A N PHE 46.A O no hydrogen 2.959 N/A TRP 51.A N ARG 47.A O no hydrogen 3.008 N/A LEU 52.A N GLY 48.A O no hydrogen 2.981 N/A GLN 53.A N PHE 49.A O no hydrogen 2.940 N/A GLN 53.A NE2 TYR 356.A OH no hydrogen 3.428 N/A ALA 54.A N ARG 50.A O no hydrogen 2.919 N/A MET 55.A N TRP 51.A O no hydrogen 3.122 N/A ILE 56.A N LEU 52.A O no hydrogen 3.047 N/A PHE 57.A N GLN 53.A O no hydrogen 2.885 N/A ALA 58.A N ALA 54.A O no hydrogen 2.977 N/A ILE 59.A N MET 55.A O no hydrogen 3.054 N/A GLU 60.A N ILE 56.A O no hydrogen 2.987 N/A GLU 61.A N PHE 57.A O no hydrogen 2.921 N/A ILE 62.A N ALA 58.A O no hydrogen 2.932 N/A ASN 63.A N ILE 59.A O no hydrogen 2.966 N/A ASN 63.A ND2 LEU 74.A O no hydrogen 3.235 N/A SER 64.A N GLU 60.A O no hydrogen 2.972 N/A SER 65.A N ILE 62.A O no hydrogen 3.328 N/A ALA 67.A N SER 65.A OG no hydrogen 3.413 N/A LEU 69.A N GLN 380.A OE1 no hydrogen 3.333 N/A GLY 75.A N ILE 13.A O no hydrogen 2.725 N/A TYR 76.A N LYS 9.A O no hydrogen 2.943 N/A ARG 77.A N LEU 15.A O no hydrogen 3.033 N/A ARG 77.A NH2 SER 94.A OG no hydrogen 2.601 N/A ILE 78.A N ALA 7.A O no hydrogen 2.893 N/A PHE 79.A N GLY 17.A O no hydrogen 3.028 N/A THR 81.A N PHE 19.A O no hydrogen 3.380 N/A CYS 82.A N ASP 80.A OD1 no hydrogen 3.246 N/A CYS 82.A SG HIS 22.A ND1 no hydrogen 4.012 N/A CYS 82.A SG ASP 80.A OD2 no hydrogen 3.386 N/A ASN 83.A ND2 PHE 23.A O no hydrogen 3.209 N/A THR 84.A N THR 81.A O no hydrogen 3.023 N/A THR 84.A OG1 CYS 82.A O no hydrogen 2.890 N/A LYS 87.A NZ VAL 39.A O no hydrogen 3.128 N/A ALA 88.A N THR 84.A O no hydrogen 3.420 N/A LEU 89.A N VAL 85.A O no hydrogen 2.900 N/A GLU 90.A N SER 86.A O no hydrogen 3.013 N/A THR 92.A N ALA 88.A O no hydrogen 2.916 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.824 N/A LEU 93.A N LEU 89.A O no hydrogen 2.942 N/A SER 94.A OG TYR 1.A O no hydrogen 3.315 N/A PHE 95.A N ALA 91.A O no hydrogen 2.963 N/A VAL 96.A N THR 92.A O no hydrogen 3.163 N/A LYS 100.A N VAL 96.A O no hydrogen 3.082 N/A SER 103.A N ASN 99.A O no hydrogen 3.398 N/A SER 103.A OG LYS 100.A O no hydrogen 3.038 N/A LEU 104.A N LYS 100.A O no hydrogen 3.279 N/A LEU 106.A N ILE 101.A O no hydrogen 3.181 N/A ILE 116.A N ILE 14.A O no hydrogen 2.951 N/A VAL 118.A N PRO 140.A O no hydrogen 3.203 N/A VAL 119.A N GLY 16.A O no hydrogen 3.350 N/A GLY 120.A N VAL 142.A O no hydrogen 2.595 N/A THR 122.A OG1 TYR 144.A OH no hydrogen 3.230 N/A SER 127.A N GLY 123.A O no hydrogen 3.306 N/A SER 127.A OG GLY 123.A O no hydrogen 2.820 N/A SER 127.A OG SER 146.A OG no hydrogen 2.694 N/A THR 128.A OG1 GLY 125.A O no hydrogen 2.432 N/A ALA 129.A N GLY 125.A O no hydrogen 3.015 N/A VAL 130.A N VAL 126.A O no hydrogen 2.953 N/A ALA 131.A N SER 127.A O no hydrogen 2.845 N/A ASN 132.A N THR 128.A O no hydrogen 2.969 N/A LEU 134.A N VAL 130.A O no hydrogen 2.881 N/A GLY 135.A N ALA 131.A O no hydrogen 2.932 N/A ILE 139.A N LEU 134.A O no hydrogen 3.404 N/A GLN 141.A N SER 159.A O no hydrogen 3.146 N/A VAL 142.A N VAL 118.A O no hydrogen 2.910 N/A SER 143.A N LEU 161.A O no hydrogen 2.900 N/A SER 143.A OG ALA 121.A O no hydrogen 3.061 N/A SER 143.A OG SER 146.A OG no hydrogen 3.103 N/A TYR 144.A OH LEU 18.A O no hydrogen 3.166 N/A TYR 144.A OH THR 122.A OG1 no hydrogen 3.230 N/A SER 146.A N SER 143.A OG no hydrogen 3.265 N/A SER 146.A OG ALA 121.A O no hydrogen 3.304 N/A SER 146.A OG THR 122.A O no hydrogen 3.151 N/A SER 146.A OG GLY 123.A O no hydrogen 3.015 N/A SER 146.A OG SER 127.A OG no hydrogen 2.694 N/A SER 146.A OG SER 143.A OG no hydrogen 3.103 N/A SER 147.A OG ASP 167.A OD2 no hydrogen 3.129 N/A SER 148.A OG ASP 194.A O no hydrogen 2.878 N/A LEU 150.A N SER 148.A OG no hydrogen 3.335 N/A SER 152.A N ARG 149.A O no hydrogen 2.972 N/A SER 152.A OG ASP 432.A OD2 no hydrogen 3.263 N/A LYS 154.A NZ LEU 151.A O no hydrogen 3.011 N/A LYS 154.A NZ PHE 157.A O no hydrogen 3.357 N/A LYS 154.A NZ PHE 160.A O no hydrogen 3.330 N/A ASN 155.A N ASN 153.A OD1 no hydrogen 3.159 N/A ASN 155.A ND2 ASN 153.A OD1 no hydrogen 2.984 N/A PHE 157.A N ASN 153.A O no hydrogen 3.243 N/A LYS 158.A NZ ASN 155.A O no hydrogen 3.313 N/A SER 159.A OG ILE 139.A O no hydrogen 2.810 N/A LEU 161.A N GLN 141.A O no hydrogen 2.892 N/A ARG 162.A N GLY 431.A O no hydrogen 3.043 N/A ARG 162.A NH1 SER 148.A O no hydrogen 2.536 N/A ARG 162.A NH2 ASP 432.A OD1 no hydrogen 2.607 N/A ARG 162.A NH2 ASP 432.A OD2 no hydrogen 3.397 N/A THR 163.A N SER 143.A O no hydrogen 3.116 N/A THR 172.A N GLU 168.A O no hydrogen 3.044 N/A THR 172.A OG1 GLU 168.A O no hydrogen 3.049 N/A ALA 173.A N HIS 169.A O no hydrogen 2.869 N/A MET 174.A N GLN 170.A O no hydrogen 2.955 N/A ALA 175.A N ALA 171.A O no hydrogen 3.042 N/A ASP 176.A N THR 172.A O no hydrogen 2.960 N/A ILE 177.A N ALA 173.A O no hydrogen 2.919 N/A ILE 178.A N MET 174.A O no hydrogen 2.990 N/A GLU 179.A N ALA 175.A O no hydrogen 2.961 N/A TYR 180.A N ASP 176.A O no hydrogen 2.919 N/A ASN 184.A N SER 488.A O no hydrogen 3.309 N/A ASN 184.A N ASN 489.A OD1 no hydrogen 3.245 N/A VAL 186.A N CYS 213.A O no hydrogen 3.209 N/A GLY 187.A N VAL 243.A O no hydrogen 2.943 N/A THR 188.A N PHE 216.A O no hydrogen 3.026 N/A THR 188.A OG1 PHE 216.A O no hydrogen 3.186 N/A ILE 189.A N VAL 245.A O no hydrogen 2.887 N/A ALA 190.A N GLU 218.A O no hydrogen 3.178 N/A ALA 191.A N PHE 247.A O no hydrogen 2.974 N/A ASP 192.A N ILE 220.A O no hydrogen 3.085 N/A TYR 195.A N ASP 193.A OD1 no hydrogen 3.252 N/A TYR 195.A OH SER 273.A OG no hydrogen 3.407 N/A GLY 196.A N ASP 193.A OD1 no hydrogen 3.143 N/A ARG 197.A N ASP 193.A O no hydrogen 3.448 N/A ILE 200.A N GLY 196.A O no hydrogen 2.959 N/A GLU 201.A N ARG 197.A O no hydrogen 3.019 N/A LYS 202.A N PRO 198.A O no hydrogen 2.912 N/A LYS 202.A NZ GLU 206.A OE2 no hydrogen 3.542 N/A PHE 203.A N GLY 199.A O no hydrogen 2.964 N/A ARG 204.A N ILE 200.A O no hydrogen 2.987 N/A GLU 205.A N GLU 201.A O no hydrogen 2.969 N/A GLU 206.A N LYS 202.A O no hydrogen 2.942 N/A ALA 207.A N PHE 203.A O no hydrogen 2.865 N/A GLU 208.A N ARG 204.A O no hydrogen 3.026 N/A ARG 210.A NE GLU 179.A OE1 no hydrogen 3.287 N/A ARG 210.A NH1 GLU 206.A O no hydrogen 3.122 N/A ARG 210.A NH1 GLU 206.A OE1 no hydrogen 2.915 N/A ARG 210.A NH2 GLU 206.A OE1 no hydrogen 3.524 N/A ILE 212.A N ALA 207.A O no hydrogen 3.137 N/A CYS 213.A N ASN 184.A O no hydrogen 3.175 N/A ASP 215.A N VAL 186.A O no hydrogen 2.734 N/A GLU 218.A N THR 188.A O no hydrogen 3.256 N/A ILE 220.A N ALA 190.A O no hydrogen 3.166 N/A SER 224.A OG SER 221.A O no hydrogen 3.467 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.786 N/A GLN 230.A N GLU 226.A O no hydrogen 2.994 N/A GLN 230.A NE2 GLU 226.A O no hydrogen 3.185 N/A HIS 231.A N GLU 227.A O no hydrogen 2.929 N/A VAL 232.A N GLU 228.A O no hydrogen 2.933 N/A VAL 233.A N ILE 229.A O no hydrogen 2.979 N/A GLU 234.A N GLN 230.A O no hydrogen 2.943 N/A VAL 235.A N HIS 231.A O no hydrogen 2.927 N/A ILE 236.A N VAL 232.A O no hydrogen 2.949 N/A GLN 237.A N VAL 233.A O no hydrogen 2.925 N/A SER 239.A N ILE 236.A O no hydrogen 3.376 N/A SER 239.A OG ASP 215.A OD2 no hydrogen 2.428 N/A ALA 241.A N SER 239.A OG no hydrogen 3.124 N/A LYS 242.A NZ PHE 487.A O no hydrogen 2.775 N/A ILE 244.A N ILE 269.A O no hydrogen 2.879 N/A VAL 245.A N GLY 187.A O no hydrogen 2.886 N/A VAL 246.A N LEU 271.A O no hydrogen 2.965 N/A PHE 247.A N ILE 189.A O no hydrogen 2.881 N/A SER 248.A OG SER 249.A O no hydrogen 3.372 N/A LEU 253.A N GLY 250.A O no hydrogen 3.108 N/A GLU 254.A N GLY 250.A O no hydrogen 2.975 N/A ILE 257.A N LEU 253.A O no hydrogen 3.101 N/A LYS 258.A N GLU 254.A O no hydrogen 2.970 N/A GLU 259.A N PRO 255.A O no hydrogen 3.004 N/A ILE 260.A N LEU 256.A O no hydrogen 2.941 N/A VAL 261.A N ILE 257.A O no hydrogen 2.922 N/A ARG 262.A N LYS 258.A O no hydrogen 2.988 N/A ARG 262.A NH1 GLU 259.A OE2 no hydrogen 3.446 N/A ARG 263.A N GLU 259.A O no hydrogen 3.314 N/A ARG 263.A NE GLU 259.A OE2 no hydrogen 3.161 N/A ASN 264.A N VAL 261.A O no hydrogen 3.136 N/A ILE 265.A N ILE 260.A O no hydrogen 3.358 N/A LYS 268.A NZ ALA 241.A O no hydrogen 3.107 N/A ILE 269.A N LYS 242.A O no hydrogen 2.573 N/A TRP 270.A NE1 VAL 290.A O no hydrogen 3.051 N/A LEU 271.A N ILE 244.A O no hydrogen 2.923 N/A ALA 272.A N ILE 295.A O no hydrogen 3.040 N/A SER 273.A OG TYR 195.A OH no hydrogen 3.407 N/A GLU 274.A N GLN 170.A OE1 no hydrogen 2.765 N/A SER 279.A N TRP 276.A O no hydrogen 3.458 N/A ALA 283.A N SER 279.A O no hydrogen 3.208 N/A MET 284.A N ILE 282.A O no hydrogen 2.856 N/A TYR 287.A N MET 284.A O no hydrogen 3.132 N/A PHE 288.A N PRO 285.A O no hydrogen 2.975 N/A VAL 290.A N TYR 287.A O no hydrogen 2.919 N/A VAL 291.A N TYR 287.A O no hydrogen 2.940 N/A GLY 292.A N PHE 288.A O no hydrogen 2.993 N/A THR 294.A OG1 VAL 291.A O no hydrogen 2.602 N/A ILE 295.A N TRP 270.A O no hydrogen 3.376 N/A GLY 296.A N ILE 440.A O no hydrogen 2.936 N/A ALA 298.A N SER 438.A O no hydrogen 2.881 N/A LYS 300.A NZ GLU 423.A OE2 no hydrogen 3.212 N/A GLU 309.A N GLU 309.A OE1 no hydrogen 2.786 N/A LEU 311.A N PHE 307.A O no hydrogen 2.932 N/A LYS 312.A N ARG 308.A O no hydrogen 2.976 N/A LYS 313.A N PHE 310.A O no hydrogen 3.430 N/A HIS 315.A NE2 GLY 345.A O no hydrogen 2.998 N/A ARG 317.A N HIS 315.A ND1 no hydrogen 3.096 N/A SER 319.A N HIS 315.A O no hydrogen 3.193 N/A SER 319.A OG HIS 315.A O no hydrogen 3.281 N/A GLY 323.A N ARG 6.A O no hydrogen 3.340 N/A PHE 324.A N ASN 322.A OD1 no hydrogen 3.080 N/A LYS 326.A NZ GLU 330.A OE2 no hydrogen 3.380 N/A PHE 328.A N PHE 324.A O no hydrogen 3.358 N/A TRP 329.A N ALA 325.A O no hydrogen 2.926 N/A TRP 329.A NE1 GLU 347.A OE1 no hydrogen 2.530 N/A GLU 330.A N LYS 326.A O no hydrogen 2.968 N/A GLU 331.A N GLU 327.A O no hydrogen 2.898 N/A THR 332.A N PHE 328.A O no hydrogen 2.952 N/A THR 332.A OG1 PHE 328.A O no hydrogen 2.488 N/A HIS 336.A N PRO 341.A O no hydrogen 2.673 N/A CYS 343.A N HIS 336.A O no hydrogen 2.750 N/A THR 344.A N GLU 347.A OE2 no hydrogen 3.230 N/A THR 344.A OG1 ASP 346.A OD2 no hydrogen 3.273 N/A TYR 356.A OH LEU 311.A O no hydrogen 2.690 N/A TYR 366.A OH ASN 420.A OD1 no hydrogen 3.074 N/A ASN 367.A ND2 TYR 144.A O no hydrogen 3.255 N/A VAL 368.A N ILE 364.A O no hydrogen 2.998 N/A TYR 369.A N SER 365.A O no hydrogen 2.990 N/A TYR 369.A OH GLU 61.A OE1 no hydrogen 2.751 N/A TYR 369.A OH GLU 61.A OE2 no hydrogen 2.888 N/A LEU 370.A N TYR 366.A O no hydrogen 2.920 N/A ALA 371.A N ASN 367.A O no hydrogen 2.948 N/A VAL 372.A N VAL 368.A O no hydrogen 3.093 N/A TYR 373.A N TYR 369.A O no hydrogen 3.031 N/A SER 374.A N LEU 370.A O no hydrogen 2.869 N/A SER 374.A OG LEU 370.A O no hydrogen 2.393 N/A ILE 375.A N ALA 371.A O no hydrogen 3.133 N/A ALA 376.A N VAL 372.A O no hydrogen 3.016 N/A HIS 377.A N TYR 373.A O no hydrogen 2.941 N/A HIS 377.A ND1 TYR 373.A O no hydrogen 2.570 N/A ALA 378.A N SER 374.A O no hydrogen 3.038 N/A LEU 379.A N ILE 375.A O no hydrogen 3.022 N/A GLN 380.A N ALA 376.A O no hydrogen 2.898 N/A ASP 381.A N HIS 377.A O no hydrogen 2.911 N/A ILE 382.A N ALA 378.A O no hydrogen 3.004 N/A TYR 383.A N LEU 379.A O no hydrogen 2.935 N/A THR 384.A N GLN 380.A O no hydrogen 3.041 N/A THR 384.A OG1 GLN 380.A O no hydrogen 3.097 N/A CYS 385.A SG LEU 386.A O no hydrogen 3.710 N/A ARG 389.A N LEU 386.A O no hydrogen 3.084 N/A GLY 390.A N GLY 395.A O no hydrogen 3.213 N/A GLY 395.A N PHE 392.A O no hydrogen 3.078 N/A TRP 406.A NE1 GLU 404.A OE1 no hydrogen 2.400 N/A VAL 408.A N GLU 404.A O no hydrogen 3.470 N/A LEU 409.A N ALA 405.A O no hydrogen 2.928 N/A LYS 410.A N TRP 406.A O no hydrogen 2.900 N/A HIS 411.A N GLN 407.A O no hydrogen 2.973 N/A LEU 412.A N VAL 408.A O no hydrogen 2.871 N/A ARG 413.A N LEU 409.A O no hydrogen 2.975 N/A ARG 413.A NH2 LYS 158.A O no hydrogen 2.986 N/A HIS 414.A N HIS 411.A O no hydrogen 3.199 N/A PHE 417.A N VAL 425.A O no hydrogen 3.008 N/A THR 418.A OG1 GLU 423.A O no hydrogen 2.903 N/A ASN 419.A N GLU 423.A O no hydrogen 3.442 N/A ASN 420.A ND2 GLN 303.A O no hydrogen 3.028 N/A GLY 422.A N ASN 419.A O no hydrogen 3.391 N/A GLU 423.A N ASN 419.A OD1 no hydrogen 2.852 N/A VAL 425.A N PHE 417.A O no hydrogen 2.861 N/A THR 426.A OG1 LEU 415.A O no hydrogen 2.754 N/A GLU 429.A N GLU 429.A OE2 no hydrogen 3.029 N/A CYS 430.A N ASP 428.A OD1 no hydrogen 2.859 N/A CYS 430.A SG SER 152.A O no hydrogen 3.841 N/A GLY 431.A N ASP 428.A O no hydrogen 2.926 N/A TYR 437.A N TYR 459.A O no hydrogen 2.974 N/A SER 438.A N ALA 298.A O no hydrogen 2.888 N/A ILE 439.A N GLY 457.A O no hydrogen 2.877 N/A ILE 440.A N GLY 296.A O no hydrogen 2.915 N/A ASN 441.A N LYS 454.A O no hydrogen 2.939 N/A ASN 441.A ND2 GLY 293.A O no hydrogen 3.453 N/A TRP 442.A N THR 294.A O no hydrogen 3.119 N/A TRP 442.A NE1 ALA 277.A O no hydrogen 3.192 N/A HIS 443.A N VAL 452.A O no hydrogen 2.786 N/A SER 445.A N SER 450.A O no hydrogen 2.827 N/A GLU 447.A N SER 445.A OG no hydrogen 3.415 N/A GLY 449.A N SER 445.A O no hydrogen 3.264 N/A VAL 452.A N HIS 443.A O no hydrogen 2.939 N/A LYS 454.A N ASN 441.A O no hydrogen 3.059 N/A VAL 456.A N ILE 439.A O no hydrogen 2.742 N/A GLY 457.A N ILE 439.A O no hydrogen 3.035 N/A TYR 458.A N PHE 470.A O no hydrogen 2.944 N/A TYR 459.A N TYR 437.A O no hydrogen 2.899 N/A ASN 460.A N ARG 468.A O no hydrogen 3.120 N/A TYR 462.A N ASN 460.A OD1 no hydrogen 3.241 N/A LYS 464.A NZ LYS 465.A O no hydrogen 2.721 N/A GLU 467.A N LYS 464.A O no hydrogen 2.996 N/A ARG 468.A NE ALA 463.A O no hydrogen 2.970 N/A ARG 468.A NH2 ALA 463.A O no hydrogen 3.493 N/A PHE 470.A N TYR 458.A O no hydrogen 2.940 N/A ASN 472.A N VAL 456.A O no hydrogen 2.863 N/A GLU 474.A N ASN 472.A OD1 no hydrogen 3.394 N/A LYS 475.A N ASN 472.A O no hydrogen 3.493 N/A ILE 476.A N GLU 473.A O no hydrogen 3.411 N/A SER 479.A N PHE 481.A O no hydrogen 3.199 N/A SER 479.A OG TRP 478.A O no hydrogen 2.904 N/A SER 482.A OG PHE 481.A O no hydrogen 2.706 N/A SER 482.A OG SER 482.A O no hydrogen 2.491 N/A SER 488.A OG TRP 185.A O no hydrogen 2.471 N/A SER 491.A OG PHE 511.A O no hydrogen 3.026 N/A LEU 495.A N THR 498.A OG1 no hydrogen 3.396 N/A THR 498.A N LEU 495.A O no hydrogen 3.372 N/A THR 498.A OG1 LEU 495.A O no hydrogen 3.359 N/A ARG 499.A N VAL 514.A O no hydrogen 2.914 N/A ARG 499.A NH2 GLY 501.A O no hydrogen 3.368 N/A LYS 500.A N ALA 527.A O no hydrogen 2.645 N/A LYS 500.A NZ ASP 526.A OD2 no hydrogen 2.968 N/A GLY 501.A N GLU 512.A O no hydrogen 2.994 N/A CYS 509.A SG ASN 184.A O no hydrogen 3.626 N/A CYS 510.A N PRO 507.A O no hydrogen 3.054 N/A PHE 511.A N SER 491.A OG no hydrogen 3.240 N/A VAL 514.A N ARG 499.A O no hydrogen 2.894 N/A CYS 516.A N GLY 497.A O no hydrogen 3.369 N/A CYS 516.A SG GLY 497.A O no hydrogen 3.467 N/A GLU 520.A N PRO 517.A O no hydrogen 3.126 N/A TYR 521.A N ASN 531.A O no hydrogen 2.844 N/A SER 522.A N ALA 496.A O no hydrogen 3.195 N/A SER 522.A OG THR 498.A O no hydrogen 3.500 N/A THR 525.A OG1 CYS 494.A O no hydrogen 3.559 N/A CYS 530.A SG GLU 520.A OE2 no hydrogen 3.639 N/A CYS 530.A SG TYR 521.A O no hydrogen 3.221 N/A CYS 530.A SG ASN 531.A O no hydrogen 3.956 N/A ASN 531.A N TYR 521.A O no hydrogen 2.857 N/A CYS 533.A N GLY 519.A O no hydrogen 3.413 N/A PHE 537.A N PRO 534.A O no hydrogen 3.220 N/A TRP 538.A N ILE 547.A O no hydrogen 2.823 N/A SER 539.A OG GLU 520.A O no hydrogen 2.868 N/A ASN 542.A N ASN 540.A OD1 no hydrogen 3.444 N/A SER 545.A OG THR 544.A O no hydrogen 2.642 N/A ILE 547.A N TRP 538.A O no hydrogen 2.993 N/A LYS 549.A N ASP 536.A O no hydrogen 3.320 N/A LYS 549.A NZ GLN 688.A OE1 no hydrogen 3.545 N/A GLU 550.A N GLU 693.A O no hydrogen 3.337 N/A GLU 552.A N ILE 695.A O no hydrogen 2.922 N/A ILE 562.A N GLU 558.A O no hydrogen 3.134 N/A ALA 563.A N PRO 559.A O no hydrogen 2.925 N/A LEU 564.A N PHE 560.A O no hydrogen 2.990 N/A THR 565.A N GLY 561.A O no hydrogen 2.904 N/A THR 565.A OG1 GLY 561.A O no hydrogen 2.686 N/A LEU 566.A N ILE 562.A O no hydrogen 2.947 N/A PHE 567.A N ALA 563.A O no hydrogen 2.968 N/A ALA 568.A N LEU 564.A O no hydrogen 2.947 N/A ALA 568.A N THR 565.A O no hydrogen 3.224 N/A VAL 569.A N THR 565.A O no hydrogen 2.933 N/A LEU 570.A N LEU 566.A O no hydrogen 2.989 N/A PHE 573.A N VAL 569.A O no hydrogen 2.967 N/A LEU 574.A N LEU 570.A O no hydrogen 2.906 N/A THR 575.A N GLY 571.A O no hydrogen 2.919 N/A THR 575.A OG1 GLY 571.A O no hydrogen 2.850 N/A ALA 576.A N ILE 572.A O no hydrogen 2.965 N/A VAL 578.A N LEU 574.A O no hydrogen 3.390 N/A LEU 579.A N THR 575.A O no hydrogen 2.991 N/A VAL 581.A N PHE 577.A O no hydrogen 2.957 N/A PHE 582.A N VAL 578.A O no hydrogen 2.940 N/A ILE 583.A N LEU 579.A O no hydrogen 2.931 N/A LYS 584.A N GLY 580.A O no hydrogen 2.933 N/A PHE 585.A N VAL 581.A O no hydrogen 2.864 N/A ARG 586.A NH1 ILE 583.A O no hydrogen 2.851 N/A THR 588.A OG1 PHE 585.A O no hydrogen 2.441 N/A LYS 592.A N THR 588.A O no hydrogen 2.836 N/A GLU 597.A N GLU 597.A OE2 no hydrogen 2.836 N/A SER 599.A OG ASN 595.A O no hydrogen 3.413 N/A SER 599.A OG ARG 596.A O no hydrogen 2.830 N/A TYR 600.A N GLU 597.A O no hydrogen 3.385 N/A SER 605.A OG LEU 602.A O no hydrogen 2.614 N/A LEU 606.A N LEU 602.A O no hydrogen 2.974 N/A CYS 608.A N PHE 604.A O no hydrogen 2.968 N/A CYS 608.A SG PHE 604.A O no hydrogen 3.417 N/A CYS 609.A N SER 605.A O no hydrogen 2.862 N/A CYS 609.A SG SER 605.A O no hydrogen 3.254 N/A PHE 610.A N LEU 606.A O no hydrogen 2.974 N/A SER 611.A N LEU 607.A O no hydrogen 3.397 N/A SER 611.A OG LEU 607.A O no hydrogen 2.864 N/A SER 611.A OG CYS 608.A O no hydrogen 3.087 N/A SER 612.A OG CYS 609.A O no hydrogen 3.021 N/A SER 613.A OG PHE 610.A O no hydrogen 2.951 N/A GLN 621.A N THR 624.A OG1 no hydrogen 2.911 N/A TRP 623.A NE1 GLN 621.A OE1 no hydrogen 2.620 N/A THR 624.A OG1 GLN 621.A O no hydrogen 3.203 N/A CYS 625.A N GLN 621.A O no hydrogen 3.333 N/A LEU 627.A N TRP 623.A O no hydrogen 3.270 N/A GLY 633.A N GLN 629.A O no hydrogen 3.016 N/A ILE 634.A N PRO 630.A O no hydrogen 2.892 N/A SER 635.A N ALA 631.A O no hydrogen 3.000 N/A SER 635.A OG ALA 631.A O no hydrogen 2.717 N/A SER 635.A OG PHE 632.A O no hydrogen 3.133 N/A PHE 636.A N PHE 632.A O no hydrogen 2.987 N/A VAL 637.A N GLY 633.A O no hydrogen 2.995 N/A LEU 638.A N ILE 634.A O no hydrogen 2.989 N/A CYS 639.A N SER 635.A O no hydrogen 2.965 N/A ILE 640.A N PHE 636.A O no hydrogen 2.942 N/A SER 641.A N VAL 637.A O no hydrogen 2.908 N/A SER 641.A OG VAL 637.A O no hydrogen 2.659 N/A CYS 642.A N LEU 638.A O no hydrogen 2.982 N/A CYS 642.A SG LEU 601.A O no hydrogen 3.953 N/A CYS 642.A SG LEU 638.A O no hydrogen 3.238 N/A ILE 643.A N ILE 640.A O no hydrogen 3.144 N/A LEU 644.A N ILE 640.A O no hydrogen 2.958 N/A LYS 646.A N ILE 643.A O no hydrogen 3.268 N/A LYS 646.A NZ GLU 737.A OE2 no hydrogen 3.219 N/A LEU 657.A N ASN 656.A OD1 no hydrogen 2.633 N/A LEU 661.A N LEU 657.A O no hydrogen 2.931 N/A LEU 661.A N GLN 658.A O no hydrogen 3.244 N/A VAL 662.A N GLN 658.A O no hydrogen 2.937 N/A PHE 663.A N PHE 659.A O no hydrogen 2.933 N/A CYS 665.A SG LEU 661.A O no hydrogen 3.460 N/A THR 666.A N VAL 662.A O no hydrogen 3.003 N/A PHE 667.A N PHE 663.A O no hydrogen 2.904 N/A MET 668.A N LEU 664.A O no hydrogen 2.978 N/A GLN 669.A N THR 666.A O no hydrogen 3.261 N/A ILE 670.A N THR 666.A O no hydrogen 2.999 N/A VAL 671.A N PHE 667.A O no hydrogen 2.985 N/A CYS 673.A N GLN 669.A O no hydrogen 2.966 N/A CYS 673.A SG GLN 669.A O no hydrogen 3.336 N/A VAL 674.A N ILE 670.A O no hydrogen 2.933 N/A ILE 675.A N VAL 671.A O no hydrogen 2.988 N/A TRP 676.A N ILE 672.A O no hydrogen 2.930 N/A TYR 678.A N VAL 674.A O no hydrogen 2.955 N/A THR 679.A OG1 ILE 675.A O no hydrogen 3.000 N/A ALA 680.A N TRP 676.A O no hydrogen 2.987 N/A SER 683.A N HIS 700.A O no hydrogen 2.936 N/A TYR 685.A N THR 698.A O no hydrogen 2.896 N/A ASN 687.A N PHE 696.A O no hydrogen 2.897 N/A ILE 695.A N GLU 550.A O no hydrogen 2.874 N/A PHE 696.A N ASN 687.A O no hydrogen 2.963 N/A THR 698.A N TYR 685.A O no hydrogen 2.913 N/A CYS 699.A SG THR 698.A O no hydrogen 3.356 N/A GLY 708.A N LEU 704.A O no hydrogen 2.913 N/A PHE 709.A N MET 705.A O no hydrogen 2.950 N/A GLY 712.A N GLY 708.A O no hydrogen 2.940 N/A TYR 713.A N PHE 709.A O no hydrogen 2.909 N/A TYR 713.A OH CYS 665.A O no hydrogen 3.232 N/A THR 714.A N LEU 710.A O no hydrogen 2.967 N/A THR 714.A OG1 LEU 710.A O no hydrogen 2.833 N/A CYS 715.A N ILE 711.A O no hydrogen 2.936 N/A CYS 715.A SG ILE 711.A O no hydrogen 3.270 N/A LEU 716.A N GLY 712.A O no hydrogen 2.903 N/A LEU 717.A N TYR 713.A O no hydrogen 2.982 N/A ALA 718.A N THR 714.A O no hydrogen 2.926 N/A ALA 719.A N CYS 715.A O no hydrogen 2.893 N/A ALA 719.A N LEU 716.A O no hydrogen 3.163 N/A ILE 720.A N LEU 716.A O no hydrogen 2.993 N/A PHE 723.A N ALA 719.A O no hydrogen 2.951 N/A PHE 724.A N ILE 720.A O no hydrogen 2.920 N/A ALA 725.A N CYS 721.A O no hydrogen 2.904 N/A PHE 726.A N PHE 722.A O no hydrogen 2.933 N/A SER 728.A N ALA 725.A O no hydrogen 3.476 N/A ARG 729.A NH1 PHE 726.A O no hydrogen 2.620 N/A ASN 734.A ND2 GLU 737.A OE1 no hydrogen 3.563 N/A ILE 741.A N GLU 737.A O no hydrogen 2.947 N/A THR 742.A N ALA 738.A O no hydrogen 2.904 N/A THR 742.A OG1 ALA 738.A O no hydrogen 2.853 N/A PHE 743.A N LYS 739.A O no hydrogen 2.939 N/A SER 744.A N PHE 740.A O no hydrogen 2.933 N/A SER 744.A OG GLY 781.A O no hydrogen 3.381 N/A MET 745.A N ILE 741.A O no hydrogen 2.978 N/A LEU 746.A N THR 742.A O no hydrogen 2.924 N/A ILE 747.A N PHE 743.A O no hydrogen 2.937 N/A PHE 748.A N SER 744.A O no hydrogen 3.040 N/A ILE 750.A N LEU 746.A O no hydrogen 2.972 N/A VAL 751.A N ILE 747.A O no hydrogen 2.953 N/A TRP 752.A N PHE 748.A O no hydrogen 3.048 N/A ILE 753.A N PHE 749.A O no hydrogen 2.968 N/A SER 754.A N ILE 750.A O no hydrogen 2.911 N/A SER 754.A OG ILE 750.A O no hydrogen 2.959 N/A PHE 755.A N VAL 751.A O no hydrogen 2.887 N/A ILE 756.A N TRP 752.A O no hydrogen 3.084 N/A TYR 759.A N PHE 755.A O no hydrogen 3.166 N/A ALA 760.A N PRO 757.A O no hydrogen 3.055 N/A SER 761.A OG PRO 757.A O no hydrogen 2.823 N/A THR 762.A OG1 ALA 758.A O no hydrogen 2.938 N/A TYR 763.A OH GLU 691.A OE2 no hydrogen 2.950 N/A LYS 765.A NZ GLU 558.A OE2 no hydrogen 2.670 N/A ALA 774.A N VAL 770.A O no hydrogen 2.934 N/A LEU 776.A N VAL 772.A O no hydrogen 2.925 N/A ALA 777.A N ILE 773.A O no hydrogen 2.917 N/A SER 779.A N ILE 775.A O no hydrogen 2.933 N/A SER 779.A OG ILE 775.A O no hydrogen 2.629 N/A GLY 781.A N ALA 777.A O no hydrogen 2.934 N/A LEU 782.A N ALA 778.A O no hydrogen 2.918 N/A LEU 783.A N PHE 780.A O no hydrogen 3.315 N/A ALA 784.A N PHE 780.A O no hydrogen 2.920 N/A CYS 785.A SG GLY 781.A O no hydrogen 3.447 N/A PHE 787.A N LEU 783.A O no hydrogen 2.951 N/A TYR 792.A N PHE 788.A O no hydrogen 2.889 N/A ILE 793.A N ASN 789.A O no hydrogen 3.044 N/A ILE 794.A N LYS 790.A O no hydrogen 2.918 N/A LEU 795.A N ILE 791.A O no hydrogen 2.896 N/A PHE 796.A N TYR 792.A O no hydrogen 3.188 N/A SER 799.A N PHE 796.A O no hydrogen 2.954 N/A SER 799.A OG PHE 796.A O no hydrogen 2.990 N/A THR 802.A N PRO 798.A O no hydrogen 3.255 N/A THR 802.A OG1 ASN 801.A OD1 no hydrogen 3.384 N/A GLU 805.A N GLU 805.A OE1 no hydrogen 2.711 N/A CYS 808.A SG GLU 804.A O no hydrogen 3.200 N/A CYS 808.A SG ARG 807.A O no hydrogen 2.613 N/A