Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6yxr_B.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 11.B N ASP 36.B OD2 no hydrogen 2.858 N/A GLN 15.B N GLN 11.B O no hydrogen 3.343 N/A ASP 16.B N LEU 13.B O no hydrogen 2.935 N/A SER 18.B OG ASP 16.B OD2 no hydrogen 3.300 N/A THR 19.B N LYS 697.B O no hydrogen 3.201 N/A ARG 20.B N SER 18.B OG no hydrogen 2.908 N/A ARG 20.B NH1 ASP 16.B OD2 no hydrogen 3.303 N/A ILE 22.B N THR 19.B O no hydrogen 3.013 N/A TRP 23.B N THR 19.B O no hydrogen 3.343 N/A TYR 24.B N ARG 20.B O no hydrogen 2.986 N/A TYR 24.B OH SER 702.B OG no hydrogen 2.821 N/A GLY 25.B N ARG 21.B O no hydrogen 2.936 N/A LEU 26.B N TRP 23.B O no hydrogen 3.211 N/A ALA 27.B N TRP 23.B O no hydrogen 3.404 N/A THR 28.B N TYR 24.B O no hydrogen 3.179 N/A THR 28.B OG1 TYR 24.B O no hydrogen 2.778 N/A ALA 29.B N LEU 26.B O no hydrogen 3.299 N/A SER 34.B OG ASP 31.B OD2 no hydrogen 3.524 N/A HIS 35.B N PHE 32.B O no hydrogen 3.262 N/A HIS 35.B NE2 THR 28.B O no hydrogen 3.167 N/A ASP 36.B N PHE 9.B O no hydrogen 2.835 N/A THR 39.B OG1 ASN 42.B OD1 no hydrogen 3.380 N/A LEU 43.B N THR 39.B O no hydrogen 2.930 N/A TYR 44.B N GLU 40.B O no hydrogen 3.509 N/A GLN 45.B N GLU 41.B O no hydrogen 3.439 N/A GLN 45.B NE2 PRO 164.B O no hydrogen 3.366 N/A LYS 46.B N ASN 42.B O no hydrogen 3.124 N/A ILE 47.B N LEU 43.B O no hydrogen 3.101 N/A PHE 48.B N TYR 44.B O no hydrogen 2.899 N/A ALA 49.B N GLN 45.B O no hydrogen 3.039 N/A SER 50.B N LYS 46.B O no hydrogen 3.113 N/A HIS 51.B N ILE 47.B O no hydrogen 2.823 N/A GLY 53.B N SER 50.B O no hydrogen 2.733 N/A GLN 54.B N SER 50.B O no hydrogen 3.400 N/A ALA 56.B N PHE 52.B O no hydrogen 3.226 N/A ILE 57.B N GLY 53.B O no hydrogen 3.133 N/A ILE 58.B N GLN 54.B O no hydrogen 3.217 N/A PHE 59.B N LEU 55.B O no hydrogen 3.032 N/A LEU 60.B N ALA 56.B O no hydrogen 3.273 N/A TRP 61.B N ILE 57.B O no hydrogen 2.775 N/A THR 62.B N ILE 58.B O no hydrogen 2.965 N/A THR 62.B OG1 ILE 58.B O no hydrogen 2.895 N/A SER 63.B N PHE 59.B O no hydrogen 3.169 N/A SER 63.B OG SER 140.B O no hydrogen 3.066 N/A SER 63.B OG SER 140.B OG no hydrogen 2.634 N/A GLY 64.B N LEU 60.B O no hydrogen 2.896 N/A LEU 66.B N THR 62.B O no hydrogen 3.279 N/A PHE 67.B N SER 63.B O no hydrogen 3.152 N/A HIS 68.B N GLY 64.B O no hydrogen 2.973 N/A VAL 69.B N ASN 65.B O no hydrogen 2.936 N/A ALA 70.B N LEU 66.B O no hydrogen 2.847 N/A TRP 71.B N PHE 67.B O no hydrogen 2.821 N/A GLY 73.B N VAL 69.B O no hydrogen 2.530 N/A ASN 74.B ND2 ARG 86.B O no hydrogen 3.060 N/A TRP 78.B N ASN 74.B O no hydrogen 2.887 N/A VAL 79.B N PHE 75.B O no hydrogen 3.465 N/A THR 80.B OG1 GLN 77.B O no hydrogen 2.806 N/A ASP 81.B N TRP 78.B O no hydrogen 3.171 N/A HIS 84.B ND1 ASP 81.B OD1 no hydrogen 3.018 N/A HIS 84.B ND1 ASP 81.B OD2 no hydrogen 3.034 N/A VAL 85.B N ASP 81.B O no hydrogen 3.310 N/A ARG 86.B NH1 ASP 365.B OD1 no hydrogen 2.988 N/A ILE 88.B N TYR 122.B OH no hydrogen 3.390 N/A ALA 89.B N ASN 115.B O no hydrogen 2.760 N/A HIS 90.B ND1 ALA 91.B O no hydrogen 3.116 N/A ALA 91.B N GLN 72.B OE1 no hydrogen 2.557 N/A ILE 92.B N PRO 113.B O no hydrogen 3.220 N/A HIS 96.B N ASP 94.B OD1 no hydrogen 3.205 N/A HIS 96.B ND1 ASP 94.B OD1 no hydrogen 3.053 N/A PHE 97.B N ASP 94.B O no hydrogen 3.112 N/A ALA 101.B N GLY 98.B O no hydrogen 3.173 N/A GLU 103.B N GLN 99.B O no hydrogen 3.436 N/A ALA 104.B N PRO 100.B O no hydrogen 3.209 N/A ALA 104.B N ALA 101.B O no hydrogen 3.009 N/A PHE 105.B N ALA 101.B O no hydrogen 2.721 N/A THR 106.B OG1 ALA 110.B O no hydrogen 3.370 N/A THR 106.B OG1 SER 111.B O no hydrogen 2.682 N/A THR 106.B OG1 GLY 112.B O no hydrogen 3.284 N/A VAL 114.B N PHE 105.B O no hydrogen 2.962 N/A ASN 115.B N HIS 90.B O no hydrogen 3.003 N/A ALA 117.B N PRO 87.B O no hydrogen 3.340 N/A VAL 121.B N SER 119.B OG no hydrogen 3.153 N/A TYR 122.B OH ILE 88.B O no hydrogen 2.469 N/A GLN 123.B N GLN 123.B OE1 no hydrogen 2.620 N/A GLN 123.B NE2 TYR 361.B O no hydrogen 3.662 N/A GLN 123.B NE2 ASP 365.B OD2 no hydrogen 3.137 N/A TRP 124.B N GLY 120.B O no hydrogen 3.327 N/A TRP 125.B N VAL 121.B O no hydrogen 2.798 N/A TYR 126.B N TYR 122.B O no hydrogen 3.042 N/A THR 127.B N TRP 124.B O no hydrogen 3.166 N/A THR 127.B OG1 GLN 123.B O no hydrogen 2.502 N/A ILE 128.B N TRP 124.B O no hydrogen 3.375 N/A LEU 130.B N TRP 125.B O no hydrogen 3.082 N/A ARG 131.B NE TYR 126.B O no hydrogen 3.295 N/A ARG 131.B NH1 GLU 202.B O no hydrogen 2.777 N/A ARG 131.B NH2 TYR 126.B O no hydrogen 3.081 N/A SER 132.B OG GLU 76.B OE1 no hydrogen 3.183 N/A GLN 134.B N SER 132.B OG no hydrogen 3.215 N/A LEU 136.B N ASN 133.B O no hydrogen 3.260 N/A TYR 137.B N ASN 133.B O no hydrogen 3.166 N/A VAL 138.B N GLN 134.B O no hydrogen 3.088 N/A SER 139.B N GLU 135.B O no hydrogen 3.334 N/A SER 140.B N LEU 136.B O no hydrogen 2.945 N/A SER 140.B OG SER 63.B O no hydrogen 2.890 N/A SER 140.B OG SER 63.B OG no hydrogen 2.634 N/A VAL 141.B N TYR 137.B O no hydrogen 3.419 N/A PHE 142.B N SER 139.B O no hydrogen 2.858 N/A LEU 143.B N SER 139.B O no hydrogen 3.185 N/A ALA 144.B N SER 140.B O no hydrogen 3.340 N/A LEU 145.B N VAL 141.B O no hydrogen 3.093 N/A VAL 146.B N PHE 142.B O no hydrogen 3.023 N/A SER 147.B N LEU 143.B O no hydrogen 2.581 N/A SER 147.B OG ALA 56.B O no hydrogen 2.642 N/A ALA 148.B N ALA 144.B O no hydrogen 3.122 N/A VAL 149.B N LEU 145.B O no hydrogen 3.024 N/A PHE 150.B N VAL 146.B O no hydrogen 3.306 N/A LEU 151.B N SER 147.B O no hydrogen 3.282 N/A PHE 152.B N ALA 148.B O no hydrogen 3.037 N/A ALA 153.B N VAL 149.B O no hydrogen 3.080 N/A ALA 153.B N PHE 150.B O no hydrogen 3.035 N/A GLY 154.B N PHE 150.B O no hydrogen 2.964 N/A TRP 155.B N LEU 151.B O no hydrogen 3.330 N/A LEU 156.B N PHE 152.B O no hydrogen 2.847 N/A HIS 157.B N ALA 153.B O no hydrogen 2.670 N/A HIS 157.B ND1 PHE 162.B O no hydrogen 3.158 N/A LEU 158.B N TRP 155.B O no hydrogen 3.257 N/A GLN 159.B N LEU 156.B O no hydrogen 3.185 N/A GLN 163.B NE2 GLN 45.B OE1 no hydrogen 2.774 N/A TRP 168.B N SER 165.B O no hydrogen 3.242 N/A LYS 170.B N LEU 166.B O no hydrogen 3.167 N/A LYS 170.B NZ ASN 329.B OD1 no hydrogen 3.049 N/A GLU 173.B N GLU 173.B OE2 no hydrogen 2.548 N/A ARG 175.B N ASP 171.B O no hydrogen 3.433 N/A LEU 176.B N ALA 172.B O no hydrogen 3.093 N/A ASN 177.B ND2 TYR 292.B O no hydrogen 2.814 N/A HIS 178.B N SER 174.B O no hydrogen 3.136 N/A HIS 178.B ND1 SER 174.B O no hydrogen 3.230 N/A HIS 179.B N ARG 175.B O no hydrogen 2.852 N/A LEU 180.B N LEU 176.B O no hydrogen 2.752 N/A ALA 181.B N ASN 177.B O no hydrogen 3.238 N/A GLY 182.B N HIS 178.B O no hydrogen 2.933 N/A PHE 184.B N HIS 179.B O no hydrogen 3.169 N/A VAL 186.B N ALA 181.B O no hydrogen 2.952 N/A SER 187.B OG GLY 182.B O no hydrogen 3.229 N/A SER 187.B OG LEU 183.B O no hydrogen 2.468 N/A SER 188.B N PHE 184.B O no hydrogen 3.084 N/A SER 188.B OG HIS 278.B O no hydrogen 2.400 N/A LEU 189.B N GLY 185.B O no hydrogen 2.663 N/A ALA 190.B N VAL 186.B O no hydrogen 2.824 N/A TRP 191.B N SER 187.B O no hydrogen 3.060 N/A THR 192.B N SER 188.B O no hydrogen 3.312 N/A THR 192.B OG1 SER 188.B O no hydrogen 3.053 N/A THR 192.B OG1 ALA 275.B O no hydrogen 3.409 N/A GLY 193.B N LEU 189.B O no hydrogen 3.063 N/A HIS 194.B N ALA 190.B O no hydrogen 2.789 N/A HIS 194.B N TRP 191.B O no hydrogen 3.219 N/A LEU 195.B N TRP 191.B O no hydrogen 2.990 N/A VAL 196.B N THR 192.B O no hydrogen 3.036 N/A HIS 197.B N GLY 193.B O no hydrogen 3.113 N/A VAL 198.B N HIS 194.B O no hydrogen 2.910 N/A ALA 199.B N HIS 194.B O no hydrogen 3.235 N/A ILE 200.B N LEU 195.B O no hydrogen 2.948 N/A GLU 202.B N VAL 198.B O no hydrogen 2.959 N/A SER 203.B N ALA 199.B O no hydrogen 2.861 N/A SER 203.B OG PHE 245.B O no hydrogen 3.107 N/A ARG 204.B N ILE 200.B O no hydrogen 3.099 N/A ARG 204.B NE ASP 239.B OD2 no hydrogen 2.818 N/A ARG 204.B NH1 ALA 254.B O no hydrogen 2.621 N/A ARG 204.B NH2 ASP 239.B OD1 no hydrogen 2.872 N/A ARG 204.B NH2 ALA 254.B O no hydrogen 2.714 N/A GLY 209.B N ASN 212.B OD1 no hydrogen 2.629 N/A ASN 212.B N GLY 209.B O no hydrogen 3.111 N/A ASN 212.B ND2 HIS 207.B O no hydrogen 2.637 N/A SER 215.B OG ASN 212.B O no hydrogen 3.219 N/A VAL 216.B N ASN 212.B O no hydrogen 3.106 N/A HIS 219.B ND1 THR 253.B O no hydrogen 3.059 N/A THR 224.B OG1 GLN 221.B O no hydrogen 3.109 N/A PHE 226.B N LEU 223.B O no hydrogen 2.808 N/A TRP 227.B N LEU 223.B O no hydrogen 3.276 N/A SER 228.B N THR 224.B O no hydrogen 3.131 N/A SER 228.B OG THR 224.B O no hydrogen 2.647 N/A GLY 229.B N PRO 225.B O no hydrogen 2.987 N/A TRP 231.B N GLY 229.B O no hydrogen 2.799 N/A TRP 231.B NE1 PHE 226.B O no hydrogen 2.867 N/A ALA 233.B N ASN 230.B O no hydrogen 3.415 N/A TYR 234.B OH GLY 222.B O no hydrogen 2.760 N/A ALA 235.B N ALA 232.B O no hydrogen 3.272 N/A GLN 236.B NE2 ALA 232.B O no hydrogen 3.575 N/A THR 240.B N GLY 250.B O no hydrogen 3.192 N/A THR 240.B OG1 SER 242.B O no hydrogen 3.446 N/A THR 240.B OG1 GLY 250.B O no hydrogen 2.905 N/A HIS 243.B N ALA 241.B O no hydrogen 2.802 N/A SER 251.B N ALA 248.B O no hydrogen 3.097 N/A SER 251.B OG ALA 248.B O no hydrogen 3.396 N/A THR 253.B N ASN 237.B O no hydrogen 3.113 N/A ALA 254.B N ASN 237.B O no hydrogen 3.419 N/A ILE 255.B N TYR 234.B O no hydrogen 3.159 N/A LEU 256.B N TYR 234.B O no hydrogen 3.429 N/A THR 257.B OG1 SER 272.B OG no hydrogen 3.291 N/A LEU 259.B N ASP 273.B OD1 no hydrogen 3.291 N/A GLY 260.B N ASP 273.B OD2 no hydrogen 2.983 N/A HIS 263.B N SER 268.B O no hydrogen 2.612 N/A HIS 263.B NE2 HIS 243.B ND1 no hydrogen 3.286 N/A THR 266.B N HIS 263.B ND1 no hydrogen 3.374 N/A THR 266.B OG1 THR 266.B O no hydrogen 2.353 N/A THR 266.B OG1 SER 268.B OG no hydrogen 3.051 N/A SER 268.B OG THR 266.B O no hydrogen 3.555 N/A SER 268.B OG THR 266.B OG1 no hydrogen 3.051 N/A SER 268.B OG LEU 269.B O no hydrogen 3.336 N/A LEU 269.B N PRO 357.B O no hydrogen 3.000 N/A SER 272.B OG ASP 273.B OD1 no hydrogen 3.458 N/A ASP 273.B N TRP 270.B O no hydrogen 3.143 N/A MET 274.B N TRP 270.B O no hydrogen 3.246 N/A ALA 275.B N LEU 271.B O no hydrogen 2.884 N/A HIS 276.B N SER 272.B O no hydrogen 3.124 N/A HIS 277.B N ASP 273.B O no hydrogen 2.693 N/A HIS 278.B N MET 274.B O no hydrogen 3.221 N/A HIS 278.B ND1 MET 274.B O no hydrogen 3.307 N/A ILE 281.B N HIS 277.B O no hydrogen 3.259 N/A ALA 282.B N LEU 279.B O no hydrogen 3.004 N/A VAL 283.B N LEU 279.B O no hydrogen 3.273 N/A VAL 283.B N ALA 280.B O no hydrogen 3.110 N/A LEU 284.B N ALA 280.B O no hydrogen 3.228 N/A PHE 285.B N ILE 281.B O no hydrogen 3.223 N/A ILE 286.B N ALA 282.B O no hydrogen 3.082 N/A VAL 287.B N VAL 283.B O no hydrogen 2.984 N/A ALA 288.B N LEU 284.B O no hydrogen 2.804 N/A GLY 289.B N PHE 285.B O no hydrogen 3.094 N/A GLY 289.B N ILE 286.B O no hydrogen 3.142 N/A HIS 290.B N VAL 287.B O no hydrogen 3.265 N/A HIS 290.B ND1 ILE 286.B O no hydrogen 2.924 N/A MET 291.B N ALA 288.B O no hydrogen 3.327 N/A ARG 293.B N HIS 300.B O no hydrogen 2.657 N/A HIS 300.B N MET 291.B O no hydrogen 2.937 N/A ILE 305.B N LEU 302.B O no hydrogen 3.317 N/A LEU 306.B N LEU 302.B O no hydrogen 3.384 N/A GLU 307.B N GLU 303.B O no hydrogen 3.190 N/A ALA 308.B N ILE 305.B O no hydrogen 3.080 N/A HIS 309.B N ILE 305.B O no hydrogen 3.152 N/A HIS 309.B ND1 ILE 305.B O no hydrogen 3.172 N/A THR 310.B N ALA 308.B O no hydrogen 2.640 N/A THR 310.B OG1 GLU 307.B O no hydrogen 3.522 N/A THR 310.B OG1 ALA 318.B O no hydrogen 2.650 N/A GLY 317.B N GLY 314.B O no hydrogen 3.338 N/A ALA 318.B N GLY 406.B O no hydrogen 3.111 N/A GLY 319.B N LEU 316.B O no hydrogen 3.088 N/A THR 326.B OG1 GLY 322.B O no hydrogen 2.979 N/A VAL 327.B N LEU 323.B O no hydrogen 2.816 N/A ASN 328.B N PHE 324.B O no hydrogen 2.895 N/A ASN 329.B N HIS 325.B O no hydrogen 3.352 N/A SER 330.B N THR 326.B O no hydrogen 3.180 N/A SER 330.B N VAL 327.B O no hydrogen 3.271 N/A SER 330.B OG THR 326.B O no hydrogen 2.753 N/A SER 330.B OG ASP 398.B O no hydrogen 3.262 N/A HIS 332.B NE2 GLU 33.B OE1 no hydrogen 2.945 N/A GLN 334.B N SER 330.B O no hydrogen 3.502 N/A LEU 335.B N LEU 331.B O no hydrogen 2.959 N/A GLY 336.B N HIS 332.B O no hydrogen 2.947 N/A LEU 337.B N PHE 333.B O no hydrogen 3.281 N/A ALA 338.B N GLN 334.B O no hydrogen 3.283 N/A LEU 339.B N LEU 335.B O no hydrogen 3.060 N/A ALA 340.B N GLY 336.B O no hydrogen 2.830 N/A SER 341.B N LEU 337.B O no hydrogen 2.872 N/A SER 341.B OG LEU 337.B O no hydrogen 2.659 N/A VAL 342.B N ALA 338.B O no hydrogen 2.750 N/A GLY 343.B N LEU 339.B O no hydrogen 2.572 N/A THR 344.B N ALA 340.B O no hydrogen 3.216 N/A THR 344.B OG1 ALA 340.B O no hydrogen 2.992 N/A ILE 345.B N SER 341.B O no hydrogen 3.024 N/A THR 346.B N VAL 342.B O no hydrogen 2.899 N/A THR 346.B OG1 VAL 342.B O no hydrogen 2.531 N/A SER 347.B N THR 344.B O no hydrogen 2.884 N/A SER 347.B OG GLY 343.B O no hydrogen 3.558 N/A SER 347.B OG GLN 377.B OE1 no hydrogen 3.467 N/A LEU 348.B N THR 344.B O no hydrogen 3.146 N/A VAL 349.B N ILE 345.B O no hydrogen 2.982 N/A GLN 351.B N SER 347.B O no hydrogen 2.853 N/A HIS 352.B N LEU 348.B O no hydrogen 2.770 N/A SER 355.B OG GLN 351.B O no hydrogen 3.099 N/A LEU 356.B N HIS 352.B O no hydrogen 3.199 N/A ALA 360.B N THR 127.B OG1 no hydrogen 3.256 N/A THR 368.B OG1 ASP 365.B OD2 no hydrogen 2.361 N/A GLN 369.B N ASP 365.B O no hydrogen 3.326 N/A SER 371.B N THR 367.B O no hydrogen 3.467 N/A SER 371.B OG THR 118.B O no hydrogen 2.882 N/A SER 371.B OG THR 367.B O no hydrogen 3.318 N/A SER 371.B OG THR 368.B O no hydrogen 3.032 N/A LEU 372.B N THR 368.B O no hydrogen 3.315 N/A TYR 373.B N GLN 369.B O no hydrogen 3.143 N/A TYR 373.B OH GLN 351.B OE1 no hydrogen 2.776 N/A THR 374.B N ALA 370.B O no hydrogen 2.816 N/A THR 374.B OG1 ALA 370.B O no hydrogen 2.539 N/A THR 374.B OG1 SER 371.B O no hydrogen 2.874 N/A HIS 375.B N SER 371.B O no hydrogen 2.699 N/A HIS 376.B N LEU 372.B O no hydrogen 3.060 N/A GLN 377.B N TYR 373.B O no hydrogen 3.035 N/A GLN 377.B NE2 TYR 373.B OH no hydrogen 3.427 N/A TYR 378.B N THR 374.B O no hydrogen 2.887 N/A ILE 379.B N HIS 375.B O no hydrogen 3.154 N/A ALA 380.B N HIS 376.B O no hydrogen 2.882 N/A GLY 381.B N GLN 377.B O no hydrogen 3.296 N/A PHE 382.B N TYR 378.B O no hydrogen 3.261 N/A ILE 383.B N ILE 379.B O no hydrogen 2.801 N/A MET 384.B N ALA 380.B O no hydrogen 2.863 N/A CYS 385.B N GLY 381.B O no hydrogen 2.903 N/A CYS 385.B SG GLY 381.B O no hydrogen 3.175 N/A GLY 386.B N PHE 382.B O no hydrogen 3.231 N/A ALA 387.B N ILE 383.B O no hydrogen 3.228 N/A PHE 388.B N MET 384.B O no hydrogen 3.476 N/A ALA 389.B N CYS 385.B O no hydrogen 3.067 N/A HIS 390.B N GLY 386.B O no hydrogen 2.653 N/A HIS 390.B ND1 HIS 332.B ND1 no hydrogen 3.313 N/A ALA 392.B N PHE 388.B O no hydrogen 2.645 N/A ALA 392.B N ALA 389.B O no hydrogen 3.001 N/A ILE 393.B N ALA 389.B O no hydrogen 3.203 N/A PHE 395.B N ALA 392.B O no hydrogen 3.176 N/A ILE 396.B N ILE 393.B O no hydrogen 3.251 N/A ARG 397.B N ILE 393.B O no hydrogen 3.002 N/A ASP 398.B N PHE 394.B O no hydrogen 2.988 N/A ASN 404.B N ASP 400.B O no hydrogen 3.164 N/A ASN 404.B ND2 THR 326.B OG1 no hydrogen 2.692 N/A VAL 408.B N GLY 319.B O no hydrogen 3.083 N/A ALA 410.B N ASN 407.B OD1 no hydrogen 3.097 N/A ARG 411.B N ASN 407.B O no hydrogen 3.077 N/A VAL 412.B N VAL 408.B O no hydrogen 3.039 N/A LEU 413.B N LEU 409.B O no hydrogen 3.453 N/A HIS 415.B ND1 ARG 411.B O no hydrogen 2.688 N/A LYS 416.B NZ LEU 540.B O no hydrogen 3.354 N/A GLU 417.B N GLU 417.B OE1 no hydrogen 2.800 N/A ALA 418.B N HIS 415.B O no hydrogen 2.874 N/A ILE 420.B N LYS 416.B O no hydrogen 3.062 N/A SER 421.B OG GLU 417.B O no hydrogen 2.870 N/A SER 421.B OG ALA 418.B O no hydrogen 2.420 N/A SER 421.B OG HIS 422.B ND1 no hydrogen 3.398 N/A HIS 422.B N ALA 418.B O no hydrogen 3.008 N/A HIS 422.B ND1 ALA 418.B O no hydrogen 2.665 N/A LEU 423.B N ILE 419.B O no hydrogen 2.969 N/A SER 424.B N ILE 420.B O no hydrogen 3.156 N/A TRP 425.B N SER 421.B O no hydrogen 3.029 N/A VAL 426.B N HIS 422.B O no hydrogen 3.062 N/A SER 427.B N LEU 423.B O no hydrogen 3.093 N/A SER 427.B OG LEU 423.B O no hydrogen 3.223 N/A LEU 428.B N SER 424.B O no hydrogen 2.893 N/A PHE 429.B N TRP 425.B O no hydrogen 2.822 N/A LEU 430.B N VAL 426.B O no hydrogen 2.761 N/A GLY 431.B N SER 427.B O no hydrogen 2.758 N/A PHE 432.B N LEU 428.B O no hydrogen 2.817 N/A HIS 433.B N PHE 429.B O no hydrogen 3.152 N/A THR 434.B N LEU 430.B O no hydrogen 2.987 N/A THR 434.B OG1 LEU 430.B O no hydrogen 2.876 N/A LEU 435.B N GLY 431.B O no hydrogen 3.077 N/A GLY 436.B N PHE 432.B O no hydrogen 2.990 N/A LEU 437.B N HIS 433.B O no hydrogen 3.004 N/A TYR 438.B N THR 434.B O no hydrogen 3.240 N/A VAL 439.B N LEU 435.B O no hydrogen 2.898 N/A HIS 440.B N GLY 436.B O no hydrogen 2.738 N/A ASN 441.B N LEU 437.B O no hydrogen 3.154 N/A ASN 441.B ND2 THR 615.B O no hydrogen 3.180 N/A ASP 442.B N TYR 438.B O no hydrogen 2.974 N/A VAL 443.B N VAL 439.B O no hydrogen 2.946 N/A VAL 444.B N HIS 440.B O no hydrogen 3.307 N/A GLN 445.B N ASN 441.B O no hydrogen 3.044 N/A ALA 446.B N ASP 442.B O no hydrogen 3.297 N/A PHE 447.B N VAL 443.B O no hydrogen 3.058 N/A GLY 448.B N GLN 445.B O no hydrogen 3.009 N/A THR 449.B N VAL 444.B O no hydrogen 3.168 N/A THR 449.B OG1 VAL 444.B O no hydrogen 2.906 N/A GLN 453.B NE2 THR 615.B OG1 no hydrogen 3.421 N/A ILE 454.B N ASN 441.B OD1 no hydrogen 3.352 N/A GLN 462.B N PRO 458.B O no hydrogen 3.332 N/A TRP 463.B N VAL 459.B O no hydrogen 2.889 N/A ILE 464.B N ALA 461.B O no hydrogen 2.970 N/A GLN 465.B N ALA 461.B O no hydrogen 3.168 N/A GLN 465.B NE2 LEU 511.B O no hydrogen 3.199 N/A ALA 466.B N GLN 462.B O no hydrogen 3.098 N/A ALA 467.B N TRP 463.B O no hydrogen 3.064 N/A GLN 468.B N GLN 465.B O no hydrogen 3.226 N/A LYS 470.B N GLN 465.B O no hydrogen 2.671 N/A LYS 470.B NZ ILE 502.B O no hydrogen 3.286 N/A LYS 470.B NZ ASN 505.B OD1 no hydrogen 3.185 N/A LYS 470.B NZ PHE 510.B O no hydrogen 3.363 N/A SER 471.B N ASN 503.B OD1 no hydrogen 3.247 N/A TYR 473.B OH GLN 465.B OE1 no hydrogen 2.539 N/A SER 481.B N LEU 478.B O no hydrogen 3.136 N/A SER 481.B OG SER 483.B OG no hydrogen 3.354 N/A SER 483.B OG SER 481.B OG no hydrogen 3.354 N/A SER 484.B OG LEU 478.B O no hydrogen 3.154 N/A SER 488.B N SER 484.B O no hydrogen 3.295 N/A ALA 489.B N PRO 485.B O no hydrogen 2.580 N/A GLN 491.B N SER 488.B O no hydrogen 3.341 N/A TRP 494.B N GLY 490.B O no hydrogen 3.312 N/A LEU 495.B N GLY 490.B O no hydrogen 3.116 N/A TRP 498.B N TRP 494.B O no hydrogen 2.963 N/A TRP 498.B NE1 GLN 468.B O no hydrogen 2.950 N/A LEU 499.B N LEU 495.B O no hydrogen 2.691 N/A ALA 501.B N TRP 498.B O no hydrogen 3.206 N/A ILE 502.B N TRP 498.B O no hydrogen 3.112 N/A ASN 503.B N LEU 499.B O no hydrogen 3.323 N/A ASN 503.B ND2 GLY 469.B O no hydrogen 3.320 N/A ASN 503.B ND2 LEU 499.B O no hydrogen 3.111 N/A ASN 504.B N GLU 500.B O no hydrogen 3.345 N/A ASN 504.B N ALA 501.B O no hydrogen 3.048 N/A GLN 506.B N ASN 504.B OD1 no hydrogen 3.308 N/A ASN 507.B ND2 ALA 501.B O no hydrogen 2.844 N/A SER 508.B OG HIS 599.B NE2 no hydrogen 3.034 N/A ILE 513.B N TYR 473.B OH no hydrogen 3.348 N/A VAL 520.B N GLY 516.B O no hydrogen 3.434 N/A HIS 521.B N ASP 517.B O no hydrogen 3.219 N/A HIS 521.B ND1 ASP 517.B O no hydrogen 3.068 N/A HIS 522.B N PHE 518.B O no hydrogen 3.142 N/A HIS 522.B ND1 PHE 518.B O no hydrogen 3.132 N/A ALA 523.B N LEU 519.B O no hydrogen 2.887 N/A ILE 524.B N VAL 520.B O no hydrogen 3.036 N/A ALA 525.B N HIS 521.B O no hydrogen 3.096 N/A LEU 526.B N HIS 522.B O no hydrogen 3.184 N/A GLY 527.B N ALA 523.B O no hydrogen 3.194 N/A LEU 528.B N ILE 524.B O no hydrogen 2.872 N/A HIS 529.B N ALA 525.B O no hydrogen 2.904 N/A HIS 529.B ND1 ALA 525.B O no hydrogen 3.069 N/A THR 530.B N LEU 526.B O no hydrogen 3.048 N/A THR 531.B N GLY 527.B O no hydrogen 2.946 N/A THR 531.B OG1 GLY 527.B O no hydrogen 2.542 N/A THR 532.B N LEU 528.B O no hydrogen 3.162 N/A THR 532.B OG1 LEU 528.B O no hydrogen 2.910 N/A LEU 533.B N HIS 529.B O no hydrogen 3.087 N/A ILE 534.B N THR 530.B O no hydrogen 3.020 N/A LEU 535.B N THR 531.B O no hydrogen 3.189 N/A VAL 536.B N THR 532.B O no hydrogen 2.576 N/A LYS 537.B N LEU 533.B O no hydrogen 3.057 N/A LYS 537.B NZ ASP 541.B OD2 no hydrogen 2.793 N/A GLY 538.B N ILE 534.B O no hydrogen 3.473 N/A ALA 539.B N LEU 535.B O no hydrogen 3.074 N/A ALA 539.B N VAL 536.B O no hydrogen 3.136 N/A LEU 540.B N VAL 536.B O no hydrogen 2.967 N/A ASP 541.B N LYS 537.B O no hydrogen 2.963 N/A ALA 542.B N ALA 539.B O no hydrogen 3.029 N/A ARG 543.B NH2 PHE 395.B O no hydrogen 2.724 N/A SER 545.B N MET 548.B O no hydrogen 2.840 N/A LEU 547.B N SER 545.B OG no hydrogen 3.057 N/A LYS 551.B N ARG 543.B O no hydrogen 3.167 N/A LYS 551.B NZ ASP 541.B O no hydrogen 2.998 N/A LYS 552.B N ARG 543.B O no hydrogen 3.265 N/A PHE 554.B N LYS 551.B O no hydrogen 3.068 N/A GLY 555.B N LYS 551.B O no hydrogen 3.309 N/A ASP 561.B N THR 568.B OG1 no hydrogen 2.989 N/A ARG 565.B NE LEU 547.B O no hydrogen 3.385 N/A ARG 565.B NH1 ASP 561.B OD2 no hydrogen 2.747 N/A ARG 565.B NH2 LEU 547.B O no hydrogen 2.558 N/A ARG 565.B NH2 ASP 561.B OD2 no hydrogen 2.567 N/A GLY 567.B N GLY 564.B O no hydrogen 3.121 N/A THR 568.B N GLY 562.B O no hydrogen 3.299 N/A THR 568.B OG1 GLY 562.B O no hydrogen 2.777 N/A SER 572.B OG PHE 558.B O no hydrogen 3.114 N/A SER 572.B OG ASP 575.B OD2 no hydrogen 2.361 N/A TYR 574.B N TYR 556.B O no hydrogen 3.387 N/A ASP 575.B N SER 572.B O no hydrogen 2.912 N/A ALA 576.B N ALA 573.B O no hydrogen 3.222 N/A PHE 577.B N ALA 573.B O no hydrogen 3.240 N/A TYR 578.B N TYR 574.B O no hydrogen 2.928 N/A LEU 579.B N ASP 575.B O no hydrogen 3.322 N/A LEU 579.B N ALA 576.B O no hydrogen 3.173 N/A ALA 580.B N ALA 576.B O no hydrogen 3.054 N/A ALA 580.B N PHE 577.B O no hydrogen 3.221 N/A VAL 581.B N PHE 577.B O no hydrogen 3.341 N/A MET 584.B N ALA 580.B O no hydrogen 2.646 N/A LEU 585.B N VAL 581.B O no hydrogen 3.006 N/A ASN 586.B N PHE 582.B O no hydrogen 3.045 N/A THR 587.B N TRP 583.B O no hydrogen 2.707 N/A THR 587.B OG1 TRP 583.B O no hydrogen 2.912 N/A ILE 588.B N MET 584.B O no hydrogen 2.876 N/A GLY 589.B N LEU 585.B O no hydrogen 2.863 N/A TRP 590.B N ASN 586.B O no hydrogen 3.178 N/A VAL 591.B N THR 587.B O no hydrogen 3.049 N/A THR 592.B N ILE 588.B O no hydrogen 2.885 N/A THR 592.B N GLY 589.B O no hydrogen 3.045 N/A THR 592.B OG1 ILE 588.B O no hydrogen 2.927 N/A PHE 593.B N GLY 589.B O no hydrogen 2.700 N/A TYR 594.B N TRP 590.B O no hydrogen 3.001 N/A HIS 596.B N THR 592.B O no hydrogen 3.110 N/A HIS 596.B ND1 TYR 624.B OH no hydrogen 3.295 N/A HIS 596.B NE2 THR 730.B OG1 no hydrogen 2.917 N/A TRP 597.B N PHE 593.B O no hydrogen 3.338 N/A LYS 598.B N TYR 594.B O no hydrogen 3.462 N/A LYS 598.B NZ THR 512.B O no hydrogen 3.086 N/A LYS 598.B NZ ASP 517.B OD2 no hydrogen 3.387 N/A HIS 599.B N TRP 595.B O no hydrogen 3.214 N/A HIS 599.B N HIS 596.B O no hydrogen 3.177 N/A HIS 599.B ND1 TRP 595.B O no hydrogen 3.061 N/A HIS 599.B NE2 SER 508.B OG no hydrogen 3.034 N/A LEU 600.B N HIS 596.B O no hydrogen 2.837 N/A THR 601.B N TRP 597.B O no hydrogen 3.116 N/A THR 601.B OG1 TRP 597.B O no hydrogen 3.224 N/A THR 601.B OG1 LYS 598.B O no hydrogen 2.979 N/A TRP 603.B N HIS 599.B O no hydrogen 2.823 N/A GLN 604.B N LEU 600.B O no hydrogen 2.710 N/A GLN 604.B NE2 GLN 609.B OE1 no hydrogen 3.612 N/A GLY 605.B N LEU 602.B O no hydrogen 3.173 N/A GLN 609.B N ASN 606.B O no hydrogen 3.332 N/A PHE 610.B N VAL 607.B O no hydrogen 3.257 N/A GLU 612.B N SER 608.B O no hydrogen 3.321 N/A SER 613.B N GLN 609.B O no hydrogen 3.320 N/A SER 613.B OG GLN 609.B O no hydrogen 3.303 N/A SER 613.B OG ASP 623.B OD2 no hydrogen 3.137 N/A SER 614.B N PHE 610.B O no hydrogen 2.975 N/A SER 614.B OG PHE 610.B O no hydrogen 2.413 N/A THR 615.B OG1 GLU 612.B O no hydrogen 3.103 N/A MET 618.B N ASP 442.B OD1 no hydrogen 3.424 N/A GLY 619.B N TYR 616.B O no hydrogen 3.114 N/A TRP 620.B N LEU 617.B O no hydrogen 3.014 N/A LEU 621.B N LEU 617.B O no hydrogen 3.322 N/A ARG 622.B N MET 618.B O no hydrogen 2.778 N/A ARG 622.B NE ASP 623.B OD1 no hydrogen 3.511 N/A ASP 623.B N GLY 619.B O no hydrogen 2.760 N/A TYR 624.B OH HIS 596.B ND1 no hydrogen 3.295 N/A LEU 625.B N TRP 620.B O no hydrogen 3.172 N/A TRP 626.B N LEU 621.B O no hydrogen 3.053 N/A ASN 628.B ND2 TYR 624.B O no hydrogen 2.639 N/A SER 629.B OG LEU 625.B O no hydrogen 2.889 N/A SER 629.B OG TRP 626.B O no hydrogen 2.984 N/A SER 630.B OG LEU 627.B O no hydrogen 3.544 N/A ASN 634.B N SER 630.B O no hydrogen 3.334 N/A ASN 634.B ND2 SER 630.B O no hydrogen 2.885 N/A GLY 635.B N LEU 632.B O no hydrogen 2.975 N/A ASN 637.B N GLY 640.B O no hydrogen 2.726 N/A ASN 642.B N GLY 635.B O no hydrogen 3.003 N/A SER 645.B OG ASN 642.B O no hydrogen 3.231 N/A TRP 647.B N LEU 644.B O no hydrogen 3.218 N/A ALA 648.B N LEU 644.B O no hydrogen 3.199 N/A TRP 649.B N SER 645.B O no hydrogen 3.007 N/A THR 650.B N VAL 646.B O no hydrogen 3.125 N/A THR 650.B OG1 VAL 646.B O no hydrogen 2.960 N/A PHE 651.B N TRP 647.B O no hydrogen 2.624 N/A LEU 652.B N ALA 648.B O no hydrogen 3.101 N/A PHE 653.B N TRP 649.B O no hydrogen 2.937 N/A GLY 654.B N THR 650.B O no hydrogen 3.005 N/A HIS 655.B N PHE 651.B O no hydrogen 3.342 N/A HIS 655.B ND1 PHE 651.B O no hydrogen 3.063 N/A LEU 656.B N LEU 652.B O no hydrogen 2.817 N/A VAL 657.B N PHE 653.B O no hydrogen 3.122 N/A TYR 658.B N GLY 654.B O no hydrogen 2.907 N/A ALA 659.B N LEU 656.B O no hydrogen 2.904 N/A THR 660.B N LEU 656.B O no hydrogen 2.980 N/A THR 660.B N VAL 657.B O no hydrogen 3.244 N/A THR 660.B OG1 LEU 656.B O no hydrogen 3.059 N/A GLY 661.B N VAL 657.B O no hydrogen 3.398 N/A PHE 662.B N ALA 659.B O no hydrogen 3.133 N/A MET 663.B N THR 660.B O no hydrogen 3.233 N/A LEU 665.B N GLY 661.B O no hydrogen 3.082 N/A ILE 666.B N PHE 662.B O no hydrogen 2.810 N/A SER 667.B N MET 663.B O no hydrogen 2.872 N/A SER 667.B OG MET 663.B O no hydrogen 2.578 N/A TRP 672.B N ARG 669.B O no hydrogen 2.734 N/A TRP 672.B NE1 SER 667.B OG no hydrogen 3.229 N/A GLN 673.B N ARG 669.B O no hydrogen 3.157 N/A ILE 676.B N TRP 672.B O no hydrogen 2.826 N/A GLU 677.B N GLN 673.B O no hydrogen 3.127 N/A THR 678.B N LEU 675.B O no hydrogen 3.016 N/A THR 678.B OG1 GLU 674.B O no hydrogen 3.232 N/A LEU 679.B N LEU 675.B O no hydrogen 3.251 N/A VAL 680.B N ILE 676.B O no hydrogen 3.021 N/A TRP 681.B N GLU 677.B O no hydrogen 3.358 N/A ALA 682.B N THR 678.B O no hydrogen 3.302 N/A HIS 683.B N LEU 679.B O no hydrogen 2.980 N/A GLU 684.B N VAL 680.B O no hydrogen 3.293 N/A LYS 685.B N TRP 681.B O no hydrogen 3.104 N/A THR 686.B N ALA 682.B O no hydrogen 3.008 N/A THR 686.B OG1 ALA 682.B O no hydrogen 2.343 N/A ASN 690.B ND2 GLU 684.B O no hydrogen 3.501 N/A LEU 691.B N LEU 688.B O no hydrogen 3.339 N/A VAL 692.B N ALA 689.B O no hydrogen 3.030 N/A LYS 697.B N PRO 17.B O no hydrogen 3.058 N/A ALA 700.B N GLN 673.B OE1 no hydrogen 2.809 N/A SER 702.B OG TYR 24.B OH no hydrogen 2.821 N/A GLN 705.B N SER 702.B OG no hydrogen 3.162 N/A ALA 706.B N SER 702.B O no hydrogen 3.325 N/A ALA 706.B N ILE 703.B O no hydrogen 3.264 N/A ARG 707.B N ILE 703.B O no hydrogen 3.365 N/A ARG 707.B NH2 PRO 559.B O no hydrogen 3.075 N/A LEU 708.B N VAL 704.B O no hydrogen 3.210 N/A VAL 709.B N GLN 705.B O no hydrogen 2.778 N/A GLY 710.B N ALA 706.B O no hydrogen 2.787 N/A LEU 711.B N ARG 707.B O no hydrogen 3.216 N/A ALA 712.B N LEU 708.B O no hydrogen 3.053 N/A HIS 713.B N VAL 709.B O no hydrogen 3.035 N/A PHE 714.B N GLY 710.B O no hydrogen 2.953 N/A SER 715.B N LEU 711.B O no hydrogen 2.812 N/A SER 715.B OG LEU 711.B O no hydrogen 3.130 N/A VAL 716.B N ALA 712.B O no hydrogen 2.995 N/A TYR 718.B N PHE 714.B O no hydrogen 3.261 N/A TYR 718.B OH LEU 585.B O no hydrogen 2.911 N/A ILE 719.B N VAL 716.B O no hydrogen 3.301 N/A PHE 720.B N VAL 716.B O no hydrogen 2.849 N/A THR 721.B N GLY 717.B O no hydrogen 3.262 N/A THR 721.B OG1 GLY 717.B O no hydrogen 2.535 N/A TYR 722.B OH TYR 624.B OH no hydrogen 3.210 N/A ALA 723.B N ILE 719.B O no hydrogen 2.953 N/A ALA 724.B N PHE 720.B O no hydrogen 3.475 N/A PHE 725.B N THR 721.B O no hydrogen 3.199 N/A LEU 726.B N TYR 722.B O no hydrogen 2.629 N/A ILE 727.B N ALA 723.B O no hydrogen 3.101 N/A ALA 728.B N ALA 724.B O no hydrogen 2.865 N/A SER 729.B N PHE 725.B O no hydrogen 3.049 N/A SER 729.B OG PHE 725.B O no hydrogen 2.751 N/A SER 729.B OG LEU 726.B O no hydrogen 3.362 N/A THR 730.B OG1 LEU 726.B O no hydrogen 2.948 N/A ALA 731.B N ILE 727.B O no hydrogen 2.869 N/A GLY 732.B N ALA 728.B O no hydrogen 3.027 N/A PHE 734.B N THR 730.B O no hydrogen 3.091 N/A