Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xrg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ASP 33.A OD1 no hydrogen 3.330 N/A SER 2.A OG ASP 33.A OD2 no hydrogen 3.368 N/A CYS 3.A N ASP 33.A OD2 no hydrogen 2.793 N/A ARG 6.A N CYS 3.A O no hydrogen 3.123 N/A ARG 6.A NE GLU 9.A OE2 no hydrogen 3.104 N/A ARG 6.A NH1 GLU 9.A OE2 no hydrogen 3.320 N/A ARG 6.A NH1 CYS 18.A O no hydrogen 2.838 N/A CYS 7.A SG CYS 3.A O no hydrogen 3.792 N/A PHE 8.A N CYS 20.A O no hydrogen 2.995 N/A ARG 19.A N SER 29.A O no hydrogen 2.990 N/A ARG 19.A NE ASP 21.A OD1 no hydrogen 3.373 N/A ARG 19.A NH1 SER 29.A OG no hydrogen 3.285 N/A CYS 20.A SG SER 2.A O no hydrogen 4.015 N/A ASN 22.A ND2 THR 217.A OG1 no hydrogen 2.729 N/A LEU 23.A N ASP 21.A OD2 no hydrogen 3.422 N/A CYS 24.A SG ARG 19.A O no hydrogen 3.864 N/A CYS 24.A SG ASP 21.A O no hydrogen 3.336 N/A LYS 25.A NZ ASP 35.A OD2 no hydrogen 2.873 N/A SER 26.A N LEU 23.A O no hydrogen 3.233 N/A SER 28.A OG TYR 27.A O no hydrogen 2.797 N/A SER 29.A N CYS 24.A O no hydrogen 3.072 N/A CYS 31.A SG ARG 19.A O no hydrogen 4.007 N/A PHE 34.A N CYS 31.A O no hydrogen 3.332 N/A GLU 36.A N ASP 33.A O no hydrogen 3.331 N/A LEU 37.A N ASP 33.A O no hydrogen 2.967 N/A CYS 38.A N PHE 34.A O no hydrogen 3.023 N/A LYS 40.A NZ GLU 36.A O no hydrogen 3.124 N/A LYS 40.A NZ LEU 37.A O no hydrogen 2.817 N/A GLY 44.A N THR 41.A O no hydrogen 3.284 N/A CYS 47.A N ASN 77.A OD1 no hydrogen 2.842 N/A ARG 51.A N THR 48.A O no hydrogen 3.031 N/A ARG 51.A NE GLU 54.A OE1 no hydrogen 3.295 N/A CYS 52.A SG THR 48.A O no hydrogen 3.391 N/A ARG 56.A NE ASP 67.A OD1 no hydrogen 2.787 N/A ARG 56.A NH1 ASP 73.A OD2 no hydrogen 2.977 N/A ARG 56.A NH2 ASP 67.A OD1 no hydrogen 3.498 N/A ARG 56.A NH2 ASP 73.A OD1 no hydrogen 2.758 N/A ARG 56.A NH2 ASP 73.A OD2 no hydrogen 3.479 N/A ALA 61.A N ALA 42.A O no hydrogen 3.140 N/A CYS 62.A SG GLY 44.A O no hydrogen 3.973 N/A HIS 63.A N ASP 73.A O no hydrogen 2.987 N/A CYS 64.A N GLU 54.A OE2 no hydrogen 3.329 N/A SER 65.A OG ASP 67.A OD1 no hydrogen 3.008 N/A CYS 68.A N SER 65.A O no hydrogen 3.285 N/A CYS 68.A SG SER 65.A O no hydrogen 3.221 N/A SER 70.A OG ASP 67.A O no hydrogen 2.767 N/A ARG 71.A N CYS 68.A O no hydrogen 3.199 N/A GLY 72.A N CYS 68.A O no hydrogen 2.737 N/A CYS 75.A SG HIS 63.A O no hydrogen 3.834 N/A THR 76.A OG1 GLN 282.A O no hydrogen 2.776 N/A TYR 78.A N CYS 75.A O no hydrogen 3.145 N/A GLN 79.A N GLN 289.A OE1 no hydrogen 3.485 N/A VAL 81.A N ASN 77.A O no hydrogen 3.116 N/A CYS 82.A N TYR 78.A O no hydrogen 2.906 N/A GLU 85.A N GLN 79.A O no hydrogen 3.047 N/A SER 86.A OG HIS 87.A O no hydrogen 3.144 N/A HIS 87.A ND1 ASP 285.A OD2 no hydrogen 2.905 N/A TRP 88.A N ASP 285.A OD1 no hydrogen 2.888 N/A ASP 90.A N HIS 87.A O no hydrogen 3.275 N/A ASP 91.A N TRP 88.A O no hydrogen 3.316 N/A GLU 100.A N ARG 294.A O no hydrogen 2.959 N/A PHE 105.A N PRO 102.A O no hydrogen 3.418 N/A LEU 110.A N SER 246.A O no hydrogen 3.219 N/A ILE 111.A N ASN 297.A O no hydrogen 3.161 N/A ILE 112.A N TYR 248.A O no hydrogen 3.112 N/A PHE 113.A N ILE 299.A O no hydrogen 2.833 N/A SER 114.A N PHE 250.A O no hydrogen 3.029 N/A SER 114.A OG PHE 250.A O no hydrogen 2.929 N/A VAL 115.A N VAL 301.A O no hydrogen 2.935 N/A ASP 116.A N SER 252.A O no hydrogen 3.120 N/A GLY 117.A N ASP 303.A OD1 no hydrogen 3.090 N/A ALA 120.A N GLN 411.A O no hydrogen 3.121 N/A TYR 122.A N ARG 119.A O no hydrogen 3.140 N/A LYS 124.A N SER 121.A O no hydrogen 3.421 N/A LYS 125.A N TYR 122.A O no hydrogen 3.309 N/A VAL 129.A N GLY 126.A O no hydrogen 3.348 N/A ASN 132.A N ASP 277.A OD2 no hydrogen 3.274 N/A ASN 132.A ND2 ASP 277.A OD2 no hydrogen 2.792 N/A ILE 133.A N ASP 277.A OD1 no hydrogen 2.933 N/A GLU 134.A N MET 130.A O no hydrogen 3.145 N/A LYS 135.A NZ TRP 88.A O no hydrogen 2.780 N/A LYS 135.A NZ ASP 91.A O no hydrogen 3.108 N/A LEU 136.A N ASN 132.A O no hydrogen 3.490 N/A ARG 137.A N ILE 133.A O no hydrogen 3.090 N/A SER 138.A N GLU 134.A O no hydrogen 3.222 N/A SER 138.A OG GLU 134.A O no hydrogen 2.769 N/A SER 138.A OG LYS 135.A O no hydrogen 3.284 N/A CYS 139.A N LYS 135.A O no hydrogen 2.862 N/A GLY 140.A N LEU 136.A O no hydrogen 3.269 N/A THR 141.A N GLY 416.A O no hydrogen 2.933 N/A THR 141.A OG1 LYS 422.A O no hydrogen 2.866 N/A MET 146.A N THR 412.A O no hydrogen 2.944 N/A ARG 147.A N PHE 430.A O no hydrogen 3.023 N/A ARG 147.A NH1 GLU 431.A OE2 no hydrogen 2.932 N/A VAL 149.A N ASN 157.A OD1 no hydrogen 2.969 N/A TYR 150.A OH HIS 383.A NE2 no hydrogen 2.840 N/A THR 152.A OG1 PHE 403.A O no hydrogen 2.877 N/A LYS 153.A N PRO 151.A O no hydrogen 2.688 N/A LYS 153.A NZ HIS 401.A O no hydrogen 3.352 N/A THR 154.A OG1 HIS 304.A NE2 no hydrogen 3.419 N/A PHE 155.A N ASN 175.A OD1 no hydrogen 3.254 N/A ASN 157.A ND2 VAL 149.A O no hydrogen 3.092 N/A ASN 157.A ND2 LYS 153.A O no hydrogen 2.801 N/A LEU 158.A N THR 154.A O no hydrogen 3.083 N/A TYR 159.A OH GLY 200.A O no hydrogen 2.858 N/A THR 160.A OG1 PRO 156.A O no hydrogen 2.630 N/A THR 160.A OG1 LEU 165.A O no hydrogen 3.474 N/A THR 160.A OG1 HIS 170.A NE2 no hydrogen 3.051 N/A LEU 161.A N ASN 157.A O no hydrogen 3.284 N/A ALA 162.A N LEU 158.A O no hydrogen 3.380 N/A THR 163.A N TYR 159.A O no hydrogen 3.208 N/A THR 163.A N THR 160.A O no hydrogen 3.339 N/A THR 163.A OG1 TYR 159.A O no hydrogen 2.743 N/A GLY 164.A N THR 160.A O no hydrogen 2.769 N/A TYR 166.A N ASN 451.A OD1 no hydrogen 3.167 N/A SER 169.A N TYR 166.A O no hydrogen 2.993 N/A HIS 170.A N TYR 166.A O no hydrogen 3.105 N/A HIS 170.A NE2 THR 160.A OG1 no hydrogen 3.051 N/A GLY 171.A N PRO 167.A O no hydrogen 3.020 N/A ILE 172.A N HIS 170.A ND1 no hydrogen 3.231 N/A MET 177.A N PHE 186.A O no hydrogen 3.068 N/A TYR 178.A OH ASP 183.A OD1 no hydrogen 2.943 N/A ASP 179.A N ALA 184.A O no hydrogen 3.258 N/A VAL 181.A N ASP 179.A OD1 no hydrogen 3.064 N/A PHE 182.A N ASP 179.A OD1 no hydrogen 3.150 N/A ASP 183.A N ASP 179.A O no hydrogen 3.088 N/A SER 185.A OG MET 177.A O no hydrogen 3.232 N/A PHE 186.A N MET 177.A O no hydrogen 2.799 N/A LYS 193.A NZ LEU 188.A O no hydrogen 3.287 N/A LYS 193.A NZ GLY 190.A O no hydrogen 2.751 N/A ASN 195.A N GLU 192.A O no hydrogen 3.191 N/A ARG 197.A NH2 GLU 192.A OE1 no hydrogen 2.951 N/A TRP 198.A NE1 GLU 192.A OE1 no hydrogen 3.123 N/A TRP 199.A NE1 LYS 193.A O no hydrogen 3.097 N/A GLY 200.A N HIS 170.A O no hydrogen 3.064 N/A GLN 202.A NE2 THR 207.A OG1 no hydrogen 3.075 N/A ILE 206.A N PRO 203.A O no hydrogen 3.295 N/A THR 207.A N PRO 203.A O no hydrogen 3.321 N/A THR 207.A OG1 PRO 203.A O no hydrogen 2.818 N/A THR 207.A OG1 TYR 436.A OH no hydrogen 2.971 N/A ALA 208.A N LEU 204.A O no hydrogen 3.216 N/A THR 209.A N TRP 205.A O no hydrogen 3.370 N/A THR 209.A OG1 TRP 205.A O no hydrogen 2.663 N/A LYS 210.A N ILE 206.A O no hydrogen 2.912 N/A GLN 211.A N ALA 208.A O no hydrogen 3.069 N/A GLN 211.A NE2 THR 207.A O no hydrogen 3.516 N/A GLN 211.A NE2 LYS 446.A O no hydrogen 3.081 N/A VAL 213.A N ALA 208.A O no hydrogen 2.870 N/A ARG 214.A NH2 ARG 244.A O no hydrogen 3.522 N/A GLY 216.A N VAL 247.A O no hydrogen 3.223 N/A THR 217.A OG1 ASN 22.A OD1 no hydrogen 2.960 N/A TRP 220.A NE1 ALA 249.A O no hydrogen 2.966 N/A SER 221.A OG ASN 22.A O no hydrogen 3.344 N/A ILE 224.A N SER 221.A O no hydrogen 3.093 N/A HIS 226.A NE2 GLU 253.A OE2 no hydrogen 3.169 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.856 N/A ARG 228.A NE CYS 38.A O no hydrogen 3.222 N/A ARG 228.A NH2 CYS 38.A O no hydrogen 3.007 N/A ARG 229.A N PRO 225.A O no hydrogen 3.218 N/A ARG 229.A NH2 SER 221.A O no hydrogen 3.331 N/A ILE 230.A N HIS 226.A O no hydrogen 3.270 N/A LEU 231.A N GLU 227.A O no hydrogen 3.029 N/A THR 232.A N ARG 228.A O no hydrogen 2.980 N/A THR 232.A OG1 ARG 228.A O no hydrogen 2.574 N/A ILE 233.A N ARG 229.A O no hydrogen 3.327 N/A LEU 234.A N ILE 230.A O no hydrogen 3.269 N/A GLN 235.A N LEU 231.A O no hydrogen 2.991 N/A TRP 236.A N THR 232.A O no hydrogen 2.956 N/A LEU 237.A N ILE 233.A O no hydrogen 3.160 N/A SER 238.A N GLN 235.A O no hydrogen 3.366 N/A SER 238.A OG GLN 235.A O no hydrogen 2.674 N/A GLU 243.A N PRO 240.A O no hydrogen 3.024 N/A ARG 244.A N PRO 240.A O no hydrogen 2.880 N/A ARG 244.A NE LEU 239.A O no hydrogen 3.402 N/A SER 246.A N ARG 214.A O no hydrogen 3.020 N/A TYR 248.A N LEU 110.A O no hydrogen 2.967 N/A PHE 250.A N ILE 112.A O no hydrogen 2.834 N/A TYR 251.A OH ASP 116.A OD2 no hydrogen 2.713 N/A SER 252.A N SER 114.A O no hydrogen 3.212 N/A SER 252.A OG GLN 254.A O no hydrogen 3.311 N/A GLN 254.A NE2 SER 258.A OG no hydrogen 2.921 N/A SER 258.A OG GLN 254.A OE1 no hydrogen 3.082 N/A GLY 259.A N ASP 256.A O no hydrogen 3.284 N/A HIS 260.A N ASP 256.A O no hydrogen 3.065 N/A HIS 260.A ND1 GLY 399.A O no hydrogen 2.775 N/A HIS 260.A NE2 HIS 401.A NE2 no hydrogen 3.065 N/A LYS 261.A NZ TYR 262.A OH no hydrogen 3.340 N/A TYR 262.A N SER 258.A O no hydrogen 3.391 N/A GLY 263.A N GLY 259.A O no hydrogen 3.016 N/A GLY 266.A N GLY 263.A O no hydrogen 3.426 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 3.119 N/A MET 269.A N GLY 266.A O no hydrogen 3.395 N/A ARG 274.A N THR 270.A O no hydrogen 3.254 N/A ARG 274.A N ASN 271.A O no hydrogen 2.999 N/A GLU 275.A N ASN 271.A O no hydrogen 3.335 N/A ASP 277.A N LEU 273.A O no hydrogen 3.504 N/A LYS 278.A N ARG 274.A O no hydrogen 3.213 N/A THR 279.A N GLU 275.A O no hydrogen 3.158 N/A THR 279.A OG1 GLU 275.A O no hydrogen 2.950 N/A VAL 280.A N ILE 276.A O no hydrogen 3.096 N/A GLY 281.A N ASP 277.A O no hydrogen 2.861 N/A GLN 282.A N LYS 278.A O no hydrogen 3.095 N/A LEU 283.A N THR 279.A O no hydrogen 3.302 N/A MET 284.A N VAL 280.A O no hydrogen 3.118 N/A ASP 285.A N GLY 281.A O no hydrogen 3.141 N/A GLY 286.A N GLN 282.A O no hydrogen 3.080 N/A LEU 287.A N LEU 283.A O no hydrogen 2.971 N/A LYS 288.A N MET 284.A O no hydrogen 3.054 N/A LYS 288.A NZ GLU 85.A OE2 no hydrogen 3.170 N/A LYS 288.A NZ SER 86.A O no hydrogen 2.775 N/A LYS 288.A NZ ASP 91.A OD2 no hydrogen 2.792 N/A GLN 289.A N ASP 285.A O no hydrogen 2.932 N/A GLN 289.A NE2 CYS 75.A O no hydrogen 3.301 N/A LEU 290.A N GLY 286.A O no hydrogen 3.132 N/A ARG 291.A N LYS 288.A O no hydrogen 3.230 N/A LEU 292.A N LEU 287.A O no hydrogen 2.779 N/A ARG 294.A NH1 GLU 95.A O no hydrogen 3.394 N/A ARG 294.A NH1 GLU 100.A OE2 no hydrogen 2.772 N/A ARG 294.A NH2 GLU 95.A O no hydrogen 2.790 N/A CYS 295.A N LEU 292.A O no hydrogen 3.228 N/A VAL 296.A N LEU 292.A O no hydrogen 3.369 N/A ASN 297.A N PRO 109.A O no hydrogen 3.031 N/A ASN 297.A ND2 THR 420.A OG1 no hydrogen 3.275 N/A VAL 298.A N TYR 417.A O no hydrogen 2.680 N/A ILE 299.A N ILE 111.A O no hydrogen 3.191 N/A PHE 300.A N VAL 415.A O no hydrogen 2.985 N/A VAL 301.A N PHE 113.A O no hydrogen 3.065 N/A HIS 304.A ND1 GLY 305.A O no hydrogen 3.202 N/A MET 306.A N SER 409.A O no hydrogen 3.238 N/A GLU 307.A N ASP 400.A O no hydrogen 3.342 N/A ASP 308.A N GLU 307.A OE1 no hydrogen 3.415 N/A ARG 313.A NE ARG 389.A O no hydrogen 3.010 N/A ARG 313.A NH2 ASP 308.A O no hydrogen 2.924 N/A THR 314.A OG1 CYS 311.A O no hydrogen 3.069 N/A GLU 315.A N HIS 391.A O no hydrogen 2.968 N/A LEU 317.A N ALA 393.A O no hydrogen 2.962 N/A SER 318.A N ARG 394.A O no hydrogen 3.193 N/A SER 318.A OG ASN 319.A OD1 no hydrogen 3.250 N/A ASN 319.A N PHE 316.A O no hydrogen 3.435 N/A TYR 320.A N LEU 317.A O no hydrogen 3.056 N/A TYR 320.A OH GLU 315.A OE1 no hydrogen 2.909 N/A LEU 321.A N LEU 317.A O no hydrogen 2.787 N/A ASN 323.A ND2 ASP 326.A OD2 no hydrogen 3.493 N/A ASP 325.A N ASN 323.A O no hydrogen 2.811 N/A ILE 327.A N VAL 324.A O no hydrogen 3.504 N/A THR 328.A N ARG 338.A O no hydrogen 2.995 N/A VAL 330.A N ARG 336.A O no hydrogen 3.131 N/A GLY 332.A N VAL 392.A O no hydrogen 3.154 N/A THR 333.A OG1 HIS 401.A O no hydrogen 3.134 N/A GLY 335.A N LEU 384.A O no hydrogen 3.214 N/A ARG 336.A NE GLU 380.A OE1 no hydrogen 2.822 N/A ARG 336.A NH2 SER 176.A O no hydrogen 2.784 N/A ILE 337.A N ILE 382.A O no hydrogen 3.210 N/A ARG 338.A N THR 328.A O no hydrogen 3.200 N/A LYS 344.A N ASP 342.A OD1 no hydrogen 3.421 N/A THR 345.A OG1 ASP 342.A O no hydrogen 3.282 N/A THR 345.A OG1 ASP 342.A OD2 no hydrogen 3.214 N/A ILE 347.A N PRO 343.A O no hydrogen 3.450 N/A ALA 349.A N THR 345.A O no hydrogen 3.258 N/A LEU 350.A N ILE 347.A O no hydrogen 3.070 N/A THR 351.A OG1 ILE 347.A O no hydrogen 2.726 N/A CYS 352.A SG ASP 702.A O no hydrogen 3.926 N/A LYS 353.A N GLN 357.A OE1 no hydrogen 3.035 N/A LYS 353.A NZ ALA 348.A O no hydrogen 3.522 N/A LYS 353.A NZ THR 351.A O no hydrogen 3.361 N/A LYS 354.A N GLN 357.A OE1 no hydrogen 3.353 N/A GLN 357.A NE2 LEU 350.A O no hydrogen 3.255 N/A GLN 357.A NE2 PHE 359.A O no hydrogen 2.810 N/A HIS 358.A N GLU 315.A OE2 no hydrogen 2.902 N/A LYS 360.A N LEU 385.A O no hydrogen 3.119 N/A LYS 360.A NZ GLU 703.A O no hydrogen 2.748 N/A TYR 362.A N HIS 383.A O no hydrogen 2.733 N/A TYR 362.A OH GLU 703.A OE1 no hydrogen 3.054 N/A LYS 364.A N ASP 381.A O no hydrogen 2.934 N/A LYS 364.A NZ ALA 374.A O no hydrogen 3.066 N/A LYS 364.A NZ ILE 379.A O no hydrogen 2.871 N/A GLN 365.A N GLN 365.A OE1 no hydrogen 2.728 N/A HIS 366.A N MET 363.A O no hydrogen 2.739 N/A LYS 369.A NZ ASP 639.A OD2 no hydrogen 3.016 N/A ARG 370.A NE MET 721.A O no hydrogen 3.100 N/A ARG 370.A NH1 ASP 404.A OD1 no hydrogen 2.849 N/A ARG 370.A NH2 ASP 404.A OD1 no hydrogen 3.553 N/A ARG 370.A NH2 ASP 404.A OD2 no hydrogen 2.800 N/A LEU 371.A N PRO 368.A O no hydrogen 3.059 N/A HIS 372.A NE2 ASP 728.A OD1 no hydrogen 2.886 N/A TYR 373.A OH VAL 173.A O no hydrogen 2.817 N/A ALA 374.A N GLU 168.A OE2 no hydrogen 3.474 N/A ASN 375.A N GLU 168.A OE2 no hydrogen 2.948 N/A ASN 376.A ND2 GLU 168.A O no hydrogen 2.823 N/A ARG 377.A NH2 ASP 179.A OD1 no hydrogen 2.827 N/A ARG 377.A NH2 ASP 179.A OD2 no hydrogen 2.887 N/A ARG 378.A N ASN 376.A OD1 no hydrogen 3.020 N/A ARG 378.A NE ASP 179.A OD2 no hydrogen 2.816 N/A ARG 378.A NH1 GLY 171.A O no hydrogen 2.923 N/A ARG 378.A NH1 TRP 198.A O no hydrogen 3.086 N/A ILE 379.A N ASN 376.A O no hydrogen 3.299 N/A HIS 383.A N TYR 362.A O no hydrogen 2.802 N/A HIS 383.A NE2 TYR 150.A OH no hydrogen 2.840 N/A LEU 384.A N GLY 335.A O no hydrogen 2.939 N/A LEU 385.A N LYS 360.A O no hydrogen 3.127 N/A ASP 387.A N HIS 358.A O no hydrogen 3.213 N/A TRP 390.A N ASP 387.A O no hydrogen 3.318 N/A HIS 391.A NE2 ASP 400.A OD2 no hydrogen 2.701 N/A VAL 392.A N GLY 332.A O no hydrogen 3.152 N/A ALA 393.A N GLU 315.A O no hydrogen 2.810 N/A ARG 394.A NE VAL 324.A O no hydrogen 2.955 N/A ARG 394.A NH2 VAL 324.A O no hydrogen 3.246 N/A GLN 398.A N HIS 260.A O no hydrogen 2.927 N/A GLY 399.A N HIS 260.A O no hydrogen 3.117 N/A ASP 400.A N GLU 307.A O no hydrogen 3.231 N/A HIS 401.A N ASP 400.A OD1 no hydrogen 2.803 N/A HIS 401.A ND1 THR 152.A O no hydrogen 3.135 N/A ASN 405.A ND2 PRO 148.A O no hydrogen 3.169 N/A LYS 406.A N ASP 404.A OD1 no hydrogen 3.253 N/A LYS 406.A NZ LYS 720.A O no hydrogen 3.129 N/A VAL 407.A N ASP 404.A O no hydrogen 3.350 N/A SER 409.A OG GLU 307.A OE2 no hydrogen 3.012 N/A MET 410.A N VAL 407.A O no hydrogen 3.177 N/A GLN 411.A NE2 ASN 405.A O no hydrogen 3.002 N/A GLN 411.A NE2 VAL 407.A O no hydrogen 2.908 N/A THR 412.A N MET 146.A O no hydrogen 3.071 N/A THR 412.A OG1 PHE 118.A O no hydrogen 2.975 N/A VAL 413.A N THR 412.A OG1 no hydrogen 2.808 N/A VAL 415.A N PHE 300.A O no hydrogen 3.096 N/A GLY 416.A N THR 141.A O no hydrogen 2.790 N/A TYR 417.A N VAL 298.A O no hydrogen 2.958 N/A THR 420.A N ASN 297.A OD1 no hydrogen 3.415 N/A LYS 422.A N LEU 460.A O no hydrogen 3.288 N/A LYS 422.A NZ HIS 459.A O no hydrogen 3.457 N/A ARG 424.A N CYS 139.A O no hydrogen 2.907 N/A ARG 424.A NH2 TYR 423.A OH no hydrogen 3.103 N/A VAL 427.A N HIS 142.A O no hydrogen 2.986 N/A ASN 432.A N ARG 147.A O no hydrogen 3.140 N/A ASN 432.A ND2 ASN 157.A OD1 no hydrogen 3.476 N/A GLU 434.A N GLU 431.A O no hydrogen 3.312 N/A LEU 435.A N ASN 432.A O no hydrogen 3.486 N/A TYR 436.A OH THR 207.A OG1 no hydrogen 2.971 N/A ASN 437.A ND2 ASN 450.A OD1 no hydrogen 3.183 N/A VAL 438.A N LEU 435.A O no hydrogen 2.966 N/A MET 439.A N LEU 435.A O no hydrogen 3.025 N/A CYS 440.A N TYR 436.A O no hydrogen 3.106 N/A CYS 440.A SG TYR 436.A O no hydrogen 3.351 N/A ASP 441.A N ASN 437.A O no hydrogen 3.200 N/A LEU 442.A N VAL 438.A O no hydrogen 2.856 N/A LEU 443.A N MET 439.A O no hydrogen 3.286 N/A LEU 445.A N CYS 440.A O no hydrogen 2.737 N/A LYS 446.A N GLN 211.A OE1 no hydrogen 3.159 N/A ALA 448.A N TYR 436.A OH no hydrogen 3.509 N/A ASN 450.A ND2 ASN 437.A OD1 no hydrogen 3.085 N/A ASN 450.A ND2 ALA 448.A O no hydrogen 2.810 N/A ASN 451.A N GLY 164.A O no hydrogen 2.905 N/A GLY 452.A N ASN 450.A OD1 no hydrogen 3.217 N/A THR 453.A N GLU 434.A OE1 no hydrogen 3.115 N/A THR 453.A N GLU 434.A OE2 no hydrogen 2.965 N/A HIS 454.A NE2 ASP 441.A OD2 no hydrogen 2.937 N/A SER 456.A N THR 453.A O no hydrogen 3.143 N/A SER 456.A OG THR 453.A O no hydrogen 2.723 N/A ASN 458.A ND2 PHE 466.A O no hydrogen 2.959 N/A LEU 460.A N LEU 457.A O no hydrogen 3.370 N/A ARG 462.A N THR 420.A O no hydrogen 2.865 N/A ARG 462.A NE PHE 421.A O no hydrogen 3.430 N/A ARG 462.A NH1 GLU 95.A OE2 no hydrogen 2.857 N/A ARG 462.A NH2 GLU 95.A OE2 no hydrogen 3.200 N/A ASN 464.A ND2 ASN 458.A O no hydrogen 2.843 N/A VAL 474.A N VAL 503.A O no hydrogen 3.089 N/A SER 475.A N VAL 503.A O no hydrogen 3.507 N/A SER 475.A OG TYR 505.A O no hydrogen 2.681 N/A SER 475.A OG THR 507.A O no hydrogen 3.537 N/A ASN 478.A N TYR 509.A O no hydrogen 3.366 N/A MET 483.A N VAL 556.A O no hydrogen 3.199 N/A HIS 495.A NE2 THR 515.A O no hydrogen 3.214 N/A ARG 500.A NH1 GLU 473.A OE2 no hydrogen 2.814 N/A ARG 500.A NH2 GLU 473.A OE1 no hydrogen 3.275 N/A ALA 502.A N ASP 736.A O no hydrogen 3.288 N/A LEU 504.A N GLY 734.A O no hydrogen 3.141 N/A THR 507.A N SER 475.A OG no hydrogen 3.253 N/A TYR 509.A OH GLU 473.A OE2 no hydrogen 3.298 N/A ASP 510.A N TYR 521.A O no hydrogen 3.018 N/A ILE 511.A N ASN 478.A O no hydrogen 3.102 N/A LEU 512.A N SER 519.A O no hydrogen 3.264 N/A HIS 514.A N PHE 517.A O no hydrogen 3.051 N/A GLU 518.A N SER 532.A O no hydrogen 3.148 N/A SER 519.A N LEU 512.A O no hydrogen 3.318 N/A GLY 520.A N TRP 530.A O no hydrogen 3.266 N/A TYR 521.A N ASP 510.A O no hydrogen 3.032 N/A TYR 521.A OH LEU 526.A O no hydrogen 2.963 N/A TYR 521.A OH PHE 562.A O no hydrogen 3.272 N/A SER 522.A N MET 527.A O no hydrogen 3.074 N/A GLU 523.A N SER 508.A O no hydrogen 3.318 N/A PHE 525.A N SER 522.A OG no hydrogen 3.385 N/A LEU 529.A N GLY 520.A O no hydrogen 3.000 N/A SER 532.A N GLU 518.A O no hydrogen 2.770 N/A SER 532.A OG HIS 495.A O no hydrogen 2.637 N/A TYR 533.A N VAL 632.A O no hydrogen 3.096 N/A THR 534.A OG1 ARG 494.A O no hydrogen 2.935 N/A ILE 535.A N VAL 630.A O no hydrogen 3.123 N/A SER 536.A OG GLN 538.A OE1 no hydrogen 3.503 N/A SER 542.A N TYR 584.A O no hydrogen 2.769 N/A THR 549.A OG1 PRO 545.A O no hydrogen 3.233 N/A THR 549.A OG1 GLU 546.A O no hydrogen 2.697 N/A VAL 552.A N THR 488.A O no hydrogen 3.212 N/A ARG 553.A N PHE 596.A O no hydrogen 3.089 N/A ARG 557.A N ASP 555.A OD1 no hydrogen 2.940 N/A ARG 557.A NH2 HIS 514.A NE2 no hydrogen 3.416 N/A PHE 562.A N SER 559.A O no hydrogen 3.083 N/A SER 563.A OG SER 559.A O no hydrogen 2.913 N/A GLN 564.A NE2 LEU 526.A O no hydrogen 2.802 N/A GLN 564.A NE2 MET 601.A O no hydrogen 2.999 N/A ALA 568.A N ASN 565.A OD1 no hydrogen 2.813 N/A TYR 569.A OH GLN 564.A OE1 no hydrogen 2.708 N/A LYS 570.A N CYS 566.A O no hydrogen 3.375 N/A ASN 571.A N LEU 567.A O no hydrogen 3.053 N/A ASP 572.A N ALA 568.A O no hydrogen 3.174 N/A GLN 574.A N ASP 572.A OD2 no hydrogen 3.024 N/A MET 575.A N ASP 572.A OD2 no hydrogen 2.860 N/A SER 576.A N MET 604.A O no hydrogen 3.143 N/A GLY 578.A N VAL 602.A O no hydrogen 2.927 N/A LEU 580.A N ASN 600.A O no hydrogen 3.413 N/A PHE 581.A N ASN 600.A OD1 no hydrogen 3.417 N/A SER 586.A OG PRO 583.A O no hydrogen 3.443 N/A SER 587.A OG ASP 516.A OD1 no hydrogen 2.921 N/A GLU 590.A N GLU 590.A OE1 no hydrogen 2.939 N/A ALA 591.A N SER 588.A OG no hydrogen 3.379 N/A LYS 592.A NZ SER 543.A O no hydrogen 3.172 N/A LYS 592.A NZ PRO 583.A O no hydrogen 3.029 N/A TYR 593.A N GLU 590.A O no hydrogen 3.401 N/A ASP 594.A N ALA 591.A O no hydrogen 3.338 N/A ALA 595.A N LYS 592.A O no hydrogen 3.323 N/A LEU 597.A N ASP 594.A O no hydrogen 3.453 N/A VAL 598.A N ARG 553.A O no hydrogen 3.037 N/A THR 599.A OG1 ASP 555.A OD2 no hydrogen 3.161 N/A ASN 600.A N LEU 597.A O no hydrogen 3.019 N/A ASN 600.A ND2 ALA 595.A O no hydrogen 3.018 N/A MET 601.A N VAL 598.A O no hydrogen 3.457 N/A VAL 602.A N GLY 578.A O no hydrogen 3.108 N/A MET 604.A N SER 576.A O no hydrogen 2.979 N/A TYR 605.A N HIS 697.A NE2 no hydrogen 3.194 N/A PHE 608.A N TYR 605.A O no hydrogen 3.208 N/A LYS 609.A N TYR 605.A O no hydrogen 3.253 N/A ARG 610.A NE GLU 711.A OE2 no hydrogen 2.891 N/A ARG 610.A NH1 SER 707.A O no hydrogen 2.771 N/A ARG 610.A NH1 GLU 711.A OE2 no hydrogen 3.324 N/A ARG 610.A NH2 SER 707.A O no hydrogen 3.078 N/A VAL 611.A N PHE 608.A O no hydrogen 3.073 N/A TRP 612.A N PHE 608.A O no hydrogen 3.169 N/A ALA 613.A N LYS 609.A O no hydrogen 2.945 N/A PHE 615.A N VAL 611.A O no hydrogen 3.333 N/A GLN 616.A N TRP 612.A O no hydrogen 3.230 N/A GLN 616.A NE2 PHE 579.A O no hydrogen 3.194 N/A ARG 617.A N ALA 613.A O no hydrogen 2.913 N/A VAL 618.A N TYR 614.A O no hydrogen 2.894 N/A LEU 619.A N TYR 614.A O no hydrogen 3.380 N/A VAL 620.A N PHE 615.A O no hydrogen 3.033 N/A LYS 621.A NZ SER 536.A O no hydrogen 2.909 N/A LYS 621.A NZ LYS 537.A O no hydrogen 2.995 N/A LYS 621.A NZ ALA 539.A O no hydrogen 2.793 N/A LYS 622.A NZ GLU 716.A OE1 no hydrogen 2.918 N/A TYR 623.A N LEU 619.A O no hydrogen 3.207 N/A ALA 624.A N VAL 620.A O no hydrogen 3.291 N/A SER 625.A N LYS 621.A O no hydrogen 3.208 N/A SER 625.A OG LYS 621.A O no hydrogen 3.205 N/A GLU 626.A N LYS 622.A O no hydrogen 3.386 N/A ARG 627.A N TYR 623.A O no hydrogen 2.867 N/A ARG 627.A NE SER 673.A OG no hydrogen 2.825 N/A ARG 627.A NH1 ILE 671.A O no hydrogen 3.445 N/A ARG 627.A NH1 SER 673.A OG no hydrogen 2.928 N/A ARG 627.A NH2 ILE 671.A O no hydrogen 3.570 N/A ARG 627.A NH2 SER 691.A OG no hydrogen 3.145 N/A ASN 628.A ND2 PHE 677.A O no hydrogen 3.341 N/A GLY 629.A N ALA 624.A O no hydrogen 2.861 N/A VAL 630.A N ILE 535.A O no hydrogen 3.041 N/A ASN 631.A N THR 672.A O no hydrogen 2.786 N/A ASN 631.A ND2 HIS 495.A O no hydrogen 3.255 N/A ASN 631.A ND2 THR 534.A OG1 no hydrogen 2.866 N/A VAL 632.A N TYR 533.A O no hydrogen 2.956 N/A ILE 633.A N ILE 670.A O no hydrogen 3.167 N/A SER 634.A N THR 531.A O no hydrogen 3.270 N/A GLY 635.A N TYR 668.A O no hydrogen 3.374 N/A ILE 637.A N HIS 666.A O no hydrogen 2.982 N/A ASP 639.A N THR 665.A OG1 no hydrogen 2.826 N/A TYR 640.A N ASP 647.A OD2 no hydrogen 2.809 N/A TYR 640.A OH VAL 663.A O no hydrogen 2.679 N/A GLY 644.A N ASP 639.A OD2 no hydrogen 3.160 N/A LEU 645.A N ASP 643.A OD1 no hydrogen 3.308 N/A ARG 646.A N HIS 731.A O no hydrogen 3.151 N/A THR 648.A N GLU 651.A OE2 no hydrogen 2.952 N/A THR 648.A OG1 GLU 651.A OE2 no hydrogen 2.993 N/A GLU 651.A N THR 648.A O no hydrogen 2.865 N/A GLN 654.A NE2 TYR 605.A OH no hydrogen 3.132 N/A VAL 656.A N ILE 661.A O no hydrogen 3.046 N/A GLU 657.A N ASP 572.A OD1 no hydrogen 3.080 N/A SER 659.A N VAL 656.A O no hydrogen 2.830 N/A SER 659.A OG VAL 656.A O no hydrogen 2.706 N/A VAL 663.A N GLN 654.A O no hydrogen 3.233 N/A THR 665.A N ILE 637.A O no hydrogen 2.770 N/A THR 665.A OG1 ILE 637.A O no hydrogen 3.219 N/A HIS 666.A N ILE 637.A O no hydrogen 3.067 N/A TYR 667.A N LEU 695.A O no hydrogen 2.777 N/A TYR 667.A OH PRO 603.A O no hydrogen 2.763 N/A TYR 668.A N GLY 635.A O no hydrogen 3.231 N/A TYR 668.A OH LEU 529.A O no hydrogen 2.852 N/A SER 669.A N PHE 693.A O no hydrogen 3.311 N/A ILE 670.A N ILE 633.A O no hydrogen 2.875 N/A ILE 671.A N SER 691.A O no hydrogen 3.104 N/A THR 672.A N ASN 631.A O no hydrogen 3.017 N/A THR 672.A OG1 TYR 738.A OH no hydrogen 2.851 N/A SER 673.A N SER 689.A O no hydrogen 3.084 N/A CYS 674.A SG ASP 676.A O no hydrogen 3.928 N/A CYS 674.A SG PRO 687.A O no hydrogen 4.021 N/A LEU 675.A N PRO 687.A O no hydrogen 3.232 N/A THR 678.A OG1 ASP 676.A OD1 no hydrogen 2.787 N/A GLN 679.A N ASP 676.A O no hydrogen 3.042 N/A ALA 681.A N ASN 628.A O no hydrogen 3.251 N/A LYS 683.A N PRO 680.A O no hydrogen 3.087 N/A CYS 684.A SG GLY 686.A O no hydrogen 3.784 N/A CYS 684.A SG PRO 687.A O no hydrogen 3.525 N/A SER 689.A N SER 673.A O no hydrogen 2.954 N/A SER 691.A N ILE 671.A O no hydrogen 3.179 N/A PHE 693.A N SER 669.A O no hydrogen 3.255 N/A ILE 694.A N HIS 722.A O no hydrogen 3.106 N/A LEU 695.A N TYR 667.A O no hydrogen 2.827 N/A HIS 697.A N THR 665.A O no hydrogen 3.002 N/A HIS 697.A ND1 PRO 664.A O no hydrogen 2.816 N/A ASN 701.A ND2 ALA 607.A O no hydrogen 3.022 N/A SER 707.A OG ASN 701.A O no hydrogen 3.151 N/A SER 707.A OG SER 704.A O no hydrogen 2.944 N/A GLU 709.A N ASN 706.A O no hydrogen 3.017 N/A SER 712.A OG ASP 710.A OD1 no hydrogen 3.111 N/A LYS 713.A N ASP 710.A O no hydrogen 3.016 N/A TRP 714.A N GLU 711.A O no hydrogen 3.397 N/A TRP 714.A NE1 GLU 709.A O no hydrogen 2.827 N/A VAL 715.A N GLU 711.A O no hydrogen 3.127 N/A LEU 718.A N VAL 715.A O no hydrogen 3.155 N/A MET 719.A N VAL 715.A O no hydrogen 3.383 N/A LYS 720.A N GLU 716.A O no hydrogen 3.315 N/A HIS 722.A N LEU 718.A O no hydrogen 3.243 N/A HIS 722.A NE2 GLU 703.A OE1 no hydrogen 2.923 N/A THR 723.A OG1 SER 692.A O no hydrogen 3.374 N/A THR 723.A OG1 HIS 756.A O no hydrogen 3.078 N/A ALA 724.A N SER 692.A O no hydrogen 3.166 N/A ARG 725.A N ASP 728.A OD2 no hydrogen 3.104 N/A ARG 725.A NE ASP 728.A OD2 no hydrogen 3.295 N/A ARG 725.A NH2 ASP 728.A OD1 no hydrogen 3.159 N/A ARG 727.A N LYS 752.A O no hydrogen 3.130 N/A ARG 727.A NE THR 453.A OG1 no hydrogen 3.161 N/A GLU 730.A N VAL 726.A O no hydrogen 3.198 N/A HIS 731.A N ARG 727.A O no hydrogen 3.341 N/A THR 733.A N ILE 729.A O no hydrogen 3.003 N/A THR 733.A OG1 ILE 729.A O no hydrogen 2.654 N/A GLY 734.A N GLU 730.A O no hydrogen 2.954 N/A ASP 736.A N ALA 502.A O no hydrogen 3.153 N/A PHE 737.A N GLU 730.A OE2 no hydrogen 3.132 N/A TYR 738.A OH THR 672.A OG1 no hydrogen 2.851 N/A ARG 739.A NE ASP 736.A OD2 no hydrogen 3.370 N/A ARG 739.A NH1 PRO 471.A O no hydrogen 3.042 N/A ARG 739.A NH2 PRO 471.A O no hydrogen 2.724 N/A ARG 739.A NH2 ASP 736.A OD2 no hydrogen 3.135 N/A LYS 740.A N TYR 498.A O no hydrogen 2.996 N/A ARG 743.A NH1 GLU 747.A OE1 no hydrogen 3.327 N/A SER 744.A OG GLU 747.A OE2 no hydrogen 3.472 N/A SER 746.A OG GLY 455.A O no hydrogen 3.460 N/A ILE 748.A N SER 744.A O no hydrogen 3.318 N/A LEU 749.A N TYR 745.A O no hydrogen 3.125 N/A THR 750.A N SER 746.A O no hydrogen 3.167 N/A THR 750.A OG1 SER 746.A O no hydrogen 3.465 N/A THR 750.A OG1 GLU 747.A O no hydrogen 2.670 N/A LEU 751.A N GLU 747.A O no hydrogen 3.257 N/A LYS 752.A N ILE 748.A O no hydrogen 2.929 N/A LYS 752.A NZ GLU 730.A OE2 no hydrogen 3.074 N/A LYS 752.A NZ PHE 737.A O no hydrogen 2.922 N/A THR 753.A N THR 750.A O no hydrogen 3.354 N/A THR 753.A OG1 LEU 749.A O no hydrogen 3.131 N/A THR 753.A OG1 THR 750.A O no hydrogen 2.845 N/A TYR 754.A N LEU 751.A O no hydrogen 3.397 N/A