Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u8c_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N ASN 377.A OD1 no hydrogen 3.264 N/A LEU 3.A N GLN 389.A OE1 no hydrogen 2.739 N/A ASP 4.A N ARG 436.A O no hydrogen 3.042 N/A ALA 9.A N LEU 434.A O no hydrogen 3.231 N/A TYR 11.A N ALA 432.A O no hydrogen 2.997 N/A TYR 11.A OH ASP 60.A O no hydrogen 3.132 N/A GLY 16.A N ASP 430.A OD2 no hydrogen 2.367 N/A SER 17.A N PRO 14.A O no hydrogen 3.024 N/A SER 17.A OG PRO 14.A O no hydrogen 2.913 N/A TYR 18.A N ASP 430.A OD1 no hydrogen 2.930 N/A GLY 20.A N GLY 39.A O no hydrogen 3.222 N/A PHE 21.A N TYR 18.A O no hydrogen 2.931 N/A ASP 24.A N LEU 37.A O no hydrogen 3.130 N/A PHE 25.A N ASP 24.A OD2 no hydrogen 2.486 N/A PHE 26.A N PHE 35.A O no hydrogen 3.200 N/A SER 29.A N ASP 103.A OD2 no hydrogen 2.803 N/A SER 29.A OG ASP 103.A OD2 no hydrogen 2.569 N/A ALA 30.A N ASP 103.A OD2 no hydrogen 3.280 N/A SER 31.A N PRO 28.A O no hydrogen 3.410 N/A ARG 33.A N SER 31.A OG no hydrogen 2.926 N/A PHE 35.A N PHE 26.A O no hydrogen 3.084 N/A LEU 36.A N CYS 59.A O no hydrogen 3.040 N/A LEU 37.A N ASP 24.A O no hydrogen 2.625 N/A VAL 38.A N LEU 57.A O no hydrogen 2.906 N/A GLY 39.A N ALA 22.A O no hydrogen 2.774 N/A ALA 40.A N GLN 55.A O no hydrogen 2.654 N/A LYS 42.A N SER 17.A O no hydrogen 2.723 N/A LYS 42.A NZ TYR 18.A OH no hydrogen 3.180 N/A ALA 43.A N ALA 40.A O no hydrogen 2.724 N/A THR 45.A OG1 GLN 47.A OE1 no hydrogen 2.908 N/A GLN 47.A NE2 THR 75.A O no hydrogen 3.172 N/A ILE 50.A N GLN 47.A O no hydrogen 2.865 N/A GLU 52.A N ASN 44.A OD1 no hydrogen 2.622 N/A GLY 54.A N ALA 43.A O no hydrogen 3.273 N/A LEU 57.A N VAL 38.A O no hydrogen 2.910 N/A LYS 58.A N GLN 68.A O no hydrogen 3.221 N/A CYS 59.A N LEU 36.A O no hydrogen 2.808 N/A ASP 60.A N ARG 66.A O no hydrogen 2.680 N/A SER 62.A OG THR 64.A OG1 no hydrogen 3.379 N/A THR 64.A N SER 62.A O no hydrogen 2.333 N/A THR 64.A OG1 SER 62.A O no hydrogen 2.600 N/A THR 64.A OG1 SER 62.A OG no hydrogen 3.379 N/A ARG 65.A NE GLU 10.A O no hydrogen 3.403 N/A ARG 65.A NH2 GLU 10.A O no hydrogen 3.525 N/A ARG 66.A NE ASP 60.A OD2 no hydrogen 3.290 N/A ARG 66.A NH2 ASP 60.A OD2 no hydrogen 3.132 N/A GLN 68.A N LYS 58.A O no hydrogen 3.075 N/A ILE 70.A N VAL 56.A O no hydrogen 2.699 N/A THR 75.A N ASP 73.A OD1 no hydrogen 2.778 N/A ARG 78.A N GLU 87.A OE2 no hydrogen 2.797 N/A ARG 78.A NE GLU 87.A OE1 no hydrogen 3.056 N/A ARG 78.A NE GLU 87.A OE2 no hydrogen 3.107 N/A ARG 78.A NH2 GLU 87.A OE1 no hydrogen 2.982 N/A ARG 78.A NH2 GLU 138.A OE2 no hydrogen 3.481 N/A TYR 80.A N ASP 84.A O no hydrogen 3.071 N/A LEU 86.A N ARG 78.A O no hydrogen 2.807 N/A PHE 88.A N HIS 113.A O no hydrogen 2.857 N/A LYS 89.A NZ ASP 73.A OD2 no hydrogen 2.929 N/A LYS 89.A NZ THR 75.A O no hydrogen 2.440 N/A LYS 89.A NZ GLY 76.A O no hydrogen 2.757 N/A HIS 91.A N VAL 51.A O no hydrogen 3.203 N/A HIS 91.A N GLU 52.A O no hydrogen 2.575 N/A PHE 94.A N GLY 53.A O no hydrogen 3.083 N/A GLY 95.A N CYS 108.A O no hydrogen 2.815 N/A ALA 96.A N TRP 93.A O no hydrogen 3.425 N/A SER 97.A OG GLY 158.A O no hydrogen 2.599 N/A ARG 99.A N LEU 106.A O no hydrogen 3.209 N/A ARG 99.A NE ASP 24.A OD1 no hydrogen 2.352 N/A ARG 99.A NH2 ASP 24.A OD1 no hydrogen 2.639 N/A ARG 99.A NH2 ASP 24.A OD2 no hydrogen 2.695 N/A SER 100.A N ASP 24.A OD1 no hydrogen 3.162 N/A SER 100.A OG PHE 25.A O no hydrogen 2.837 N/A LYS 101.A N LYS 104.A O no hydrogen 3.143 N/A LYS 101.A NZ THR 164.A O no hydrogen 3.335 N/A LYS 101.A NZ LYS 165.A O no hydrogen 2.863 N/A GLN 102.A N LYS 104.A O no hydrogen 3.511 N/A LYS 104.A NZ ASP 167.A OD2 no hydrogen 3.434 N/A ILE 105.A N GLN 131.A O no hydrogen 2.896 N/A LEU 106.A N ARG 99.A O no hydrogen 2.757 N/A ALA 107.A N PHE 129.A O no hydrogen 3.199 N/A CYS 108.A N SER 97.A O no hydrogen 3.297 N/A ALA 109.A N THR 127.A O no hydrogen 2.710 N/A LEU 111.A N GLN 92.A O no hydrogen 2.793 N/A TYR 112.A N ALA 109.A O no hydrogen 3.303 N/A TYR 112.A OH GLU 87.A OE1 no hydrogen 2.914 N/A HIS 113.A N PHE 88.A O no hydrogen 3.220 N/A TRP 114.A N GLU 123.A O no hydrogen 2.898 N/A ARG 115.A N LEU 86.A O no hydrogen 3.051 N/A ARG 115.A NE ASP 84.A OD1 no hydrogen 3.230 N/A ARG 115.A NH1 THR 116.A O no hydrogen 3.053 N/A ARG 115.A NH2 ASP 84.A OD2 no hydrogen 2.950 N/A THR 116.A OG1 ARG 115.A O no hydrogen 2.165 N/A THR 116.A OG1 LYS 119.A O no hydrogen 2.776 N/A LYS 119.A NZ ASP 148.A OD1 no hydrogen 3.019 N/A LYS 119.A NZ ASP 148.A OD2 no hydrogen 3.072 N/A GLU 121.A N ARG 115.A O no hydrogen 2.906 N/A GLU 123.A N TRP 114.A O no hydrogen 2.743 N/A VAL 125.A N GLU 123.A O no hydrogen 2.868 N/A GLY 126.A N TYR 112.A O no hydrogen 3.278 N/A THR 127.A N ALA 109.A O no hydrogen 3.259 N/A THR 127.A OG1 CYS 128.A O no hydrogen 3.296 N/A THR 127.A OG1 GLU 138.A OE1 no hydrogen 3.163 N/A THR 127.A OG1 TYR 139.A O no hydrogen 3.175 N/A CYS 128.A N TYR 139.A O no hydrogen 2.814 N/A PHE 129.A N ALA 107.A O no hydrogen 2.834 N/A LEU 130.A N VAL 137.A O no hydrogen 3.170 N/A GLN 131.A N ILE 105.A O no hydrogen 3.072 N/A ASP 132.A N LYS 135.A O no hydrogen 3.310 N/A THR 136.A OG1 GLN 131.A OE1 no hydrogen 3.084 N/A THR 136.A OG1 THR 134.A O no hydrogen 3.188 N/A VAL 137.A N LEU 130.A O no hydrogen 3.233 N/A TYR 139.A N CYS 128.A O no hydrogen 3.292 N/A TYR 139.A OH ASP 186.A OD2 no hydrogen 2.453 N/A ARG 143.A N ALA 140.A O no hydrogen 2.763 N/A ARG 143.A NE TYR 200.A O no hydrogen 2.874 N/A ARG 143.A NH1 TYR 112.A OH no hydrogen 2.969 N/A ARG 143.A NH2 TYR 200.A O no hydrogen 3.175 N/A ASP 148.A N GLU 123.A OE1 no hydrogen 3.192 N/A ASP 148.A N GLU 123.A OE2 no hydrogen 3.411 N/A GLY 151.A N ASP 148.A O no hydrogen 3.207 N/A GLN 152.A N ASP 146.A O no hydrogen 3.341 N/A GLN 152.A NE2 PRO 141.A O no hydrogen 3.674 N/A GLN 152.A NE2 CYS 142.A O no hydrogen 3.465 N/A GLY 153.A N ASP 148.A O no hydrogen 2.657 N/A CYS 155.A N GLN 152.A O no hydrogen 3.480 N/A CYS 155.A SG GLN 152.A O no hydrogen 3.618 N/A CYS 155.A SG SER 176.A OG no hydrogen 3.105 N/A GLN 156.A N VAL 125.A O no hydrogen 3.216 N/A GLN 156.A NE2 PRO 110.A O no hydrogen 3.655 N/A GLY 157.A N VAL 125.A O no hydrogen 3.015 N/A GLY 158.A N GLY 172.A O no hydrogen 2.758 N/A PHE 159.A N GLN 156.A O no hydrogen 3.110 N/A PHE 159.A N GLY 172.A O no hydrogen 3.094 N/A SER 160.A OG GLY 223.A O no hydrogen 2.613 N/A ASP 162.A N LEU 170.A O no hydrogen 2.960 N/A PHE 163.A N ASP 162.A OD1 no hydrogen 2.866 N/A THR 164.A N ARG 168.A O no hydrogen 3.159 N/A LYS 165.A N ASP 237.A OD2 no hydrogen 2.640 N/A ASP 167.A N THR 164.A O no hydrogen 2.661 N/A ARG 168.A NH2 SER 185.A O no hydrogen 3.338 N/A VAL 169.A N ASP 186.A O no hydrogen 2.833 N/A LEU 170.A N ASP 162.A O no hydrogen 2.745 N/A LEU 171.A N ILE 184.A O no hydrogen 2.978 N/A GLY 172.A N SER 160.A O no hydrogen 2.799 N/A GLY 173.A N GLN 182.A O no hydrogen 3.014 N/A GLY 175.A N CYS 155.A O no hydrogen 2.862 N/A SER 176.A N GLY 173.A O no hydrogen 3.440 N/A PHE 177.A N GLY 151.A O no hydrogen 2.801 N/A TYR 178.A N ALA 149.A O no hydrogen 2.806 N/A TRP 179.A N GLY 175.A O no hydrogen 2.789 N/A GLN 180.A N PHE 177.A O no hydrogen 2.995 N/A GLN 180.A NE2 ALA 213.A O no hydrogen 3.203 N/A GLN 180.A NE2 ASP 218.A OD2 no hydrogen 3.040 N/A GLY 181.A N SER 176.A O no hydrogen 2.904 N/A GLN 182.A N GLY 173.A O no hydrogen 2.897 N/A GLN 182.A NE2 GLN 152.A OE1 no hydrogen 2.495 N/A LEU 183.A N THR 210.A OG1 no hydrogen 3.256 N/A ILE 184.A N LEU 171.A O no hydrogen 2.954 N/A SER 185.A N LEU 208.A O no hydrogen 2.744 N/A SER 185.A OG VAL 169.A O no hydrogen 2.992 N/A ASP 186.A N VAL 169.A O no hydrogen 3.150 N/A ILE 191.A N GLN 187.A O no hydrogen 2.914 N/A VAL 192.A N VAL 188.A O no hydrogen 3.208 N/A SER 193.A N ALA 189.A O no hydrogen 2.807 N/A SER 193.A OG ALA 189.A O no hydrogen 3.298 N/A SER 193.A OG GLU 190.A O no hydrogen 3.334 N/A LYS 194.A N GLU 190.A O no hydrogen 2.924 N/A LYS 194.A NZ GLU 190.A OE2 no hydrogen 2.766 N/A ASN 198.A N ASP 196.A OD2 no hydrogen 2.750 N/A VAL 199.A N ASP 196.A O no hydrogen 2.748 N/A SER 201.A OG ARG 143.A O no hydrogen 3.141 N/A LYS 203.A NZ SER 201.A O no hydrogen 3.526 N/A ASN 206.A N GLU 190.A OE1 no hydrogen 3.359 N/A GLN 207.A N ASN 205.A O no hydrogen 2.951 N/A LEU 208.A N SER 185.A O no hydrogen 2.845 N/A THR 210.A N LEU 183.A O no hydrogen 3.178 N/A THR 212.A OG1 ALA 213.A O no hydrogen 3.505 N/A ALA 213.A N GLN 180.A OE1 no hydrogen 2.941 N/A GLN 214.A N GLN 214.A OE1 no hydrogen 2.906 N/A ASP 218.A N ALA 215.A O no hydrogen 2.604 N/A ASP 219.A N TYR 178.A O no hydrogen 2.906 N/A SER 220.A OG PHE 217.A O no hydrogen 2.516 N/A TYR 221.A N TRP 179.A O no hydrogen 3.014 N/A LEU 222.A N GLN 180.A O no hydrogen 2.758 N/A GLY 223.A N SER 241.A OG no hydrogen 3.172 N/A TYR 224.A N TYR 221.A O no hydrogen 3.088 N/A SER 225.A OG GLY 277.A O no hydrogen 3.086 N/A ALA 227.A N VAL 240.A O no hydrogen 2.709 N/A GLY 229.A N ASP 238.A O no hydrogen 3.219 N/A PHE 231.A N ASP 238.A OD2 no hydrogen 2.572 N/A ASN 232.A N ASP 230.A OD2 no hydrogen 3.475 N/A ASP 238.A N GLY 229.A O no hydrogen 2.433 N/A PHE 239.A N TYR 256.A O no hydrogen 2.552 N/A VAL 240.A N ALA 227.A O no hydrogen 2.824 N/A SER 241.A N TYR 254.A O no hydrogen 2.690 N/A SER 241.A OG SER 225.A O no hydrogen 2.871 N/A GLY 242.A N SER 225.A O no hydrogen 3.301 N/A VAL 243.A N MET 252.A O no hydrogen 2.630 N/A ARG 245.A NE ASP 219.A O no hydrogen 3.276 N/A ALA 246.A N VAL 243.A O no hydrogen 2.767 N/A THR 249.A N ALA 246.A O no hydrogen 2.968 N/A THR 249.A OG1 ARG 248.A O no hydrogen 2.506 N/A GLY 251.A N ALA 246.A O no hydrogen 2.872 N/A MET 252.A N VAL 243.A O no hydrogen 3.091 N/A VAL 253.A N PHE 267.A O no hydrogen 2.810 N/A TYR 254.A N SER 241.A O no hydrogen 2.698 N/A ILE 255.A N TYR 265.A O no hydrogen 3.122 N/A TYR 256.A N PHE 239.A O no hydrogen 2.427 N/A ASP 257.A N SER 262.A O no hydrogen 2.726 N/A GLY 258.A N ASP 238.A OD1 no hydrogen 3.267 N/A LYS 259.A N ASP 257.A OD2 no hydrogen 2.717 N/A ASN 260.A N ASP 257.A OD2 no hydrogen 2.846 N/A MET 261.A N ASP 257.A O no hydrogen 2.770 N/A SER 262.A N ASN 260.A OD1 no hydrogen 3.109 N/A SER 262.A OG ASN 260.A OD1 no hydrogen 2.675 N/A LEU 264.A N ILE 255.A O no hydrogen 3.056 N/A TYR 265.A N ILE 255.A O no hydrogen 3.338 N/A PHE 267.A N VAL 253.A O no hydrogen 2.949 N/A GLY 269.A N GLY 251.A O no hydrogen 2.713 N/A ALA 273.A N THR 249.A O no hydrogen 2.923 N/A ALA 273.A N THR 249.A OG1 no hydrogen 3.192 N/A ALA 274.A N GLN 271.A O no hydrogen 3.186 N/A PHE 278.A N TYR 275.A O no hydrogen 3.105 N/A SER 279.A OG GLY 341.A O no hydrogen 2.788 N/A ALA 281.A N PHE 294.A O no hydrogen 2.828 N/A THR 283.A N ASP 292.A O no hydrogen 3.004 N/A ILE 285.A N ASP 292.A OD1 no hydrogen 2.424 N/A TYR 290.A N ASP 288.A OD1 no hydrogen 3.295 N/A ASP 292.A N THR 283.A O no hydrogen 2.877 N/A VAL 293.A N SER 318.A O no hydrogen 3.161 N/A PHE 294.A N ALA 281.A O no hydrogen 2.760 N/A ILE 295.A N SER 316.A O no hydrogen 2.952 N/A GLY 296.A N SER 279.A O no hydrogen 3.023 N/A ALA 297.A N GLN 314.A O no hydrogen 2.925 N/A LEU 299.A N ALA 274.A O no hydrogen 2.964 N/A PHE 300.A N ALA 297.A O no hydrogen 3.187 N/A MET 301.A N GLN 271.A OE1 no hydrogen 3.014 N/A ASP 302.A N GLN 310.A O no hydrogen 2.632 N/A ARG 303.A NH1 GLY 307.A O no hydrogen 2.486 N/A GLY 304.A N LYS 308.A O no hydrogen 3.044 N/A GLY 307.A N GLY 304.A O no hydrogen 2.738 N/A LYS 308.A N ASP 306.A OD2 no hydrogen 2.962 N/A GLN 310.A N ASP 302.A O no hydrogen 2.571 N/A GLN 310.A NE2 ASP 302.A OD2 no hydrogen 2.889 N/A VAL 312.A N PHE 300.A O no hydrogen 2.960 N/A GLY 313.A N PHE 300.A O no hydrogen 2.882 N/A GLN 314.A N ALA 297.A O no hydrogen 3.258 N/A VAL 315.A N LEU 331.A O no hydrogen 2.801 N/A SER 316.A N ILE 295.A O no hydrogen 2.650 N/A VAL 317.A N THR 329.A O no hydrogen 3.211 N/A SER 318.A N VAL 293.A O no hydrogen 3.021 N/A LEU 319.A N GLN 327.A O no hydrogen 3.083 N/A ARG 321.A N ASP 325.A O no hydrogen 3.399 N/A GLY 324.A N ARG 321.A O no hydrogen 2.912 N/A GLN 327.A N LEU 319.A O no hydrogen 2.753 N/A THR 329.A N VAL 317.A O no hydrogen 3.104 N/A THR 329.A OG1 VAL 317.A O no hydrogen 3.570 N/A GLY 333.A N GLY 313.A O no hydrogen 2.740 N/A PHE 337.A N GLU 311.A O no hydrogen 2.774 N/A ALA 345.A N ALA 359.A O no hydrogen 2.787 N/A LEU 347.A N ASP 357.A O no hydrogen 3.080 N/A GLN 352.A N ASP 349.A O no hydrogen 2.858 N/A GLN 352.A NE2 ASP 349.A O no hydrogen 3.466 N/A ASP 353.A N ASP 349.A OD2 no hydrogen 2.970 N/A GLY 354.A N ASP 349.A OD1 no hydrogen 2.335 N/A ASN 356.A ND2 ASP 284.A O no hydrogen 2.791 N/A ASP 357.A N GLY 348.A O no hydrogen 2.722 N/A ILE 358.A N PHE 376.A O no hydrogen 2.842 N/A ALA 359.A N ALA 345.A O no hydrogen 2.907 N/A ILE 360.A N TYR 374.A O no hydrogen 2.798 N/A ALA 361.A N ALA 343.A O no hydrogen 2.971 N/A ALA 362.A N ILE 372.A O no hydrogen 2.637 N/A TYR 364.A N ALA 338.A O no hydrogen 3.033 N/A GLY 365.A N ALA 362.A O no hydrogen 3.138 N/A GLY 366.A N GLU 335.A OE1 no hydrogen 3.034 N/A LYS 370.A N GLY 366.A O no hydrogen 3.355 N/A GLY 371.A N GLY 365.A O no hydrogen 3.084 N/A ILE 372.A N ALA 362.A O no hydrogen 3.119 N/A VAL 373.A N LEU 391.A O no hydrogen 2.795 N/A TYR 374.A N ILE 360.A O no hydrogen 2.668 N/A ILE 375.A N GLN 389.A O no hydrogen 3.025 N/A PHE 376.A N ILE 358.A O no hydrogen 2.696 N/A GLY 378.A N ASP 357.A OD1 no hydrogen 3.009 N/A ARG 379.A N GLY 382.A O no hydrogen 2.831 N/A ARG 379.A NH1 THR 381.A OG1 no hydrogen 3.132 N/A GLY 382.A N ARG 379.A O no hydrogen 2.489 N/A ASN 384.A N ASN 377.A O no hydrogen 3.105 N/A SER 388.A N ILE 375.A O no hydrogen 3.038 N/A GLN 389.A N ILE 375.A O no hydrogen 3.428 N/A GLN 389.A NE2 LEU 3.A O no hydrogen 3.085 N/A LEU 391.A N VAL 373.A O no hydrogen 2.690 N/A GLY 393.A N GLY 371.A O no hydrogen 2.765 N/A ARG 398.A NH2 ALA 396.A O no hydrogen 3.480 N/A SER 403.A OG PRO 401.A O no hydrogen 2.824 N/A TYR 406.A N SER 403.A O no hydrogen 2.991 N/A SER 407.A OG GLY 20.A O no hydrogen 2.603 N/A SER 407.A OG PHE 21.A O no hydrogen 3.264 N/A SER 407.A OG GLY 425.A O no hydrogen 3.548 N/A LYS 409.A N ILE 423.A O no hydrogen 3.163 N/A LYS 409.A NZ GLY 410.A O no hydrogen 3.320 N/A ASP 415.A N ASP 413.A O no hydrogen 2.440 N/A ASP 415.A N ASP 413.A OD1 no hydrogen 3.127 N/A TYR 419.A N ASN 417.A O no hydrogen 2.454 N/A TYR 419.A OH LYS 484.A O no hydrogen 2.518 N/A LEU 422.A N TYR 435.A O no hydrogen 3.001 N/A ILE 423.A N LYS 409.A O no hydrogen 2.831 N/A VAL 424.A N ILE 433.A O no hydrogen 2.941 N/A GLY 425.A N SER 407.A O no hydrogen 3.077 N/A ALA 426.A N ARG 431.A O no hydrogen 2.757 N/A GLY 428.A N PRO 402.A O no hydrogen 2.566 N/A ARG 431.A N ALA 426.A O no hydrogen 3.216 N/A ALA 432.A N TYR 11.A O no hydrogen 3.241 N/A ILE 433.A N VAL 424.A O no hydrogen 2.676 N/A LEU 434.A N ALA 9.A O no hydrogen 2.981 N/A TYR 435.A N LEU 422.A O no hydrogen 2.790 N/A ARG 436.A NH1 ASP 415.A OD1 no hydrogen 3.193 N/A ALA 437.A N ASP 421.A OD2 no hydrogen 3.247 N/A ARG 438.A N ASN 2.A O no hydrogen 3.333 N/A ILE 441.A N ILE 577.A O no hydrogen 2.749 N/A ASN 444.A N LYS 480.A O no hydrogen 2.499 N/A GLY 446.A N CYS 478.A O no hydrogen 2.639 N/A GLU 448.A N ARG 476.A O no hydrogen 3.205 N/A TYR 450.A N ASN 474.A O no hydrogen 2.448 N/A LEU 463.A N LEU 468.A O no hydrogen 2.869 N/A VAL 470.A N CYS 461.A O no hydrogen 2.889 N/A SER 471.A OG ASN 455.A O no hydrogen 3.172 N/A SER 471.A OG ASN 458.A O no hydrogen 3.414 N/A CYS 472.A SG CYS 461.A O no hydrogen 3.949 N/A CYS 472.A SG VAL 470.A O no hydrogen 3.770 N/A ASN 474.A ND2 GLU 537.A OE2 no hydrogen 3.525 N/A VAL 475.A N LEU 538.A O no hydrogen 3.033 N/A ARG 476.A N GLU 448.A O no hydrogen 2.801 N/A CYS 478.A SG MET 533.A O no hydrogen 2.873 N/A LYS 480.A N ASN 444.A O no hydrogen 2.746 N/A GLN 494.A N ARG 562.A O no hydrogen 2.970 N/A VAL 495.A N LYS 523.A O no hydrogen 3.017 N/A LEU 497.A N HIS 521.A O no hydrogen 2.793 N/A LEU 498.A N PHE 558.A O no hydrogen 2.846 N/A LEU 499.A N PRO 519.A O no hydrogen 3.203 N/A ASP 500.A N THR 556.A O no hydrogen 2.987 N/A LYS 503.A N ASP 500.A O no hydrogen 2.762 N/A LYS 503.A NZ ILE 508.A O no hydrogen 2.802 N/A GLN 504.A N ASP 500.A O no hydrogen 3.085 N/A ARG 509.A NE ASP 500.A O no hydrogen 3.592 N/A ARG 510.A N ASP 500.A OD2 no hydrogen 2.809 N/A ARG 510.A NE ASP 500.A OD2 no hydrogen 3.095 N/A ARG 510.A NH1 ASP 550.A O no hydrogen 3.497 N/A ARG 510.A NH1 THR 553.A O no hydrogen 2.695 N/A ARG 510.A NH2 ASP 500.A OD1 no hydrogen 2.726 N/A ARG 510.A NH2 THR 553.A O no hydrogen 2.945 N/A ARG 510.A NH2 PRO 554.A O no hydrogen 3.171 N/A LEU 512.A N TYR 541.A O no hydrogen 3.042 N/A PHE 513.A N SER 518.A O no hydrogen 2.887 N/A LEU 514.A N ILE 539.A O no hydrogen 2.476 N/A ARG 517.A N PHE 513.A O no hydrogen 2.571 N/A SER 518.A OG SER 520.A O no hydrogen 2.945 N/A SER 520.A N SER 518.A OG no hydrogen 3.068 N/A ILE 527.A N LEU 491.A O no hydrogen 3.177 N/A SER 528.A OG ARG 489.A O no hydrogen 2.996 N/A LEU 532.A N ARG 529.A O no hydrogen 3.082 N/A CYS 535.A SG MET 533.A O no hydrogen 3.649 N/A LEU 538.A N VAL 475.A O no hydrogen 3.028 N/A ALA 540.A N PHE 473.A O no hydrogen 2.705 N/A TYR 541.A N LEU 512.A O no hydrogen 2.790 N/A LEU 542.A N SER 471.A O no hydrogen 3.041 N/A ARG 543.A N ARG 510.A O no hydrogen 2.933 N/A GLU 545.A N ASP 544.A OD2 no hydrogen 3.030 N/A GLU 547.A N ASP 544.A O no hydrogen 2.785 N/A THR 553.A OG1 ASP 550.A OD1 no hydrogen 3.063 N/A THR 553.A OG1 ASP 550.A OD2 no hydrogen 2.914 N/A ILE 555.A N ALA 590.A O no hydrogen 2.623 N/A ILE 557.A N ARG 588.A O no hydrogen 2.651 N/A PHE 558.A N LEU 498.A O no hydrogen 2.815 N/A MET 559.A N ILE 586.A O no hydrogen 3.194 N/A GLU 560.A N GLU 496.A O no hydrogen 3.187 N/A TYR 561.A N ALA 584.A O no hydrogen 2.864 N/A ARG 562.A N GLN 494.A O no hydrogen 3.291 N/A ARG 562.A NE LEU 563.A O no hydrogen 2.664 N/A ARG 566.A N ASP 564.A O no hydrogen 2.735 N/A ARG 566.A NH2 ALA 568.A O no hydrogen 3.224 N/A THR 567.A OG1 ARG 566.A O no hydrogen 2.614 N/A THR 571.A OG1 ALA 569.A O no hydrogen 3.550 N/A ILE 577.A N PRO 439.A O no hydrogen 3.405 N/A ASN 579.A N ILE 441.A O no hydrogen 3.121 N/A THR 582.A OG1 PHE 581.A O no hydrogen 2.985 N/A ILE 586.A N MET 559.A O no hydrogen 3.104 N/A ARG 588.A N ILE 557.A O no hydrogen 3.278 N/A ARG 588.A NE LEU 447.A O no hydrogen 3.329 N/A ALA 590.A N ILE 555.A O no hydrogen 2.500 N/A LEU 593.A N LEU 454.A O no hydrogen 2.651 N/A CYS 596.A SG LEU 594.A O no hydrogen 3.825 N/A CYS 596.A SG TYR 639.A OH no hydrogen 3.283 N/A VAL 601.A N ASP 599.A OD2 no hydrogen 2.821 N/A CYS 602.A SG ASP 595.A O no hydrogen 3.769 N/A CYS 602.A SG GLU 636.A OE2 no hydrogen 3.551 N/A CYS 602.A SG TYR 639.A OH no hydrogen 3.726 N/A LYS 605.A NZ GLU 607.A OE1 no hydrogen 2.481 N/A SER 609.A N LYS 630.A O no hydrogen 3.355 N/A SER 612.A OG HIS 732.A NE2 no hydrogen 2.850 N/A ASP 613.A N ASP 611.A O no hydrogen 2.998 N/A ILE 617.A N ASP 735.A O no hydrogen 3.294 N/A ILE 619.A N ALA 737.A O no hydrogen 2.826 N/A LEU 625.A N PHE 699.A O no hydrogen 2.869 N/A THR 626.A N GLN 614.A OE1 no hydrogen 2.420 N/A LEU 627.A N LEU 697.A O no hydrogen 2.873 N/A VAL 629.A N ALA 695.A O no hydrogen 2.983 N/A LYS 630.A N SER 609.A O no hydrogen 2.914 N/A ALA 631.A N LEU 693.A O no hydrogen 2.984 N/A GLN 632.A N GLU 607.A O no hydrogen 3.106 N/A ASN 633.A ND2 LYS 605.A O no hydrogen 3.553 N/A GLN 634.A N LYS 605.A O no hydrogen 2.871 N/A GLU 636.A N LYS 603.A O no hydrogen 3.482 N/A ALA 638.A N MET 687.A O no hydrogen 3.412 N/A TYR 639.A N ASN 721.A OD1 no hydrogen 2.566 N/A ALA 641.A N GLY 684.A O no hydrogen 3.210 N/A GLU 642.A N GLN 718.A O no hydrogen 3.177 N/A LEU 643.A N CYS 681.A O no hydrogen 2.724 N/A ILE 644.A N GLN 716.A O no hydrogen 2.779 N/A VAL 645.A N VAL 679.A O no hydrogen 3.160 N/A SER 646.A N ASP 714.A O no hydrogen 2.670 N/A ILE 647.A N ARG 677.A O no hydrogen 2.910 N/A ALA 651.A N PRO 648.A O no hydrogen 2.714 N/A ASP 652.A N SER 700.A O no hydrogen 3.143 N/A ILE 654.A N ARG 698.A O no hydrogen 3.238 N/A VAL 657.A N GLY 696.A O no hydrogen 2.778 N/A ARG 658.A NE VAL 656.A O no hydrogen 3.156 N/A ARG 658.A NH2 VAL 656.A O no hydrogen 3.210 N/A ASN 660.A N ARG 658.A O no hydrogen 2.468 N/A ALA 662.A N ASN 660.A OD1 no hydrogen 2.307 N/A ALA 664.A N LEU 694.A O no hydrogen 2.857 N/A SER 667.A OG ASP 682.A OD2 no hydrogen 3.397 N/A ALA 669.A N VAL 680.A O no hydrogen 2.791 N/A LYS 671.A N GLN 678.A O no hydrogen 2.638 N/A THR 672.A OG1 LYS 671.A O no hydrogen 2.627 N/A THR 676.A OG1 ASN 674.A O no hydrogen 2.636 N/A ARG 677.A NH2 ASP 652.A OD2 no hydrogen 3.074 N/A GLN 678.A N LYS 671.A O no hydrogen 2.810 N/A VAL 679.A N VAL 645.A O no hydrogen 3.049 N/A VAL 680.A N ALA 669.A O no hydrogen 2.577 N/A CYS 681.A N LEU 643.A O no hydrogen 2.923 N/A LEU 683.A N ALA 641.A O no hydrogen 3.063 N/A THR 691.A OG1 LYS 688.A O no hydrogen 2.423 N/A THR 691.A OG1 ALA 689.A O no hydrogen 2.955 N/A ALA 695.A N VAL 629.A O no hydrogen 3.137 N/A LEU 697.A N LEU 627.A O no hydrogen 3.100 N/A ARG 698.A N GLY 655.A O no hydrogen 3.387 N/A ARG 698.A NH2 ASN 659.A OD1 no hydrogen 3.383 N/A PHE 699.A N LEU 625.A O no hydrogen 2.662 N/A SER 700.A N ASP 652.A O no hydrogen 3.183 N/A SER 700.A OG HIS 702.A NE2 no hydrogen 3.187 N/A VAL 701.A N ASN 623.A O no hydrogen 3.307 N/A HIS 702.A N GLN 650.A O no hydrogen 2.434 N/A VAL 711.A N VAL 734.A O no hydrogen 3.135 N/A PHE 713.A N HIS 732.A O no hydrogen 2.703 N/A ASP 714.A N SER 646.A O no hydrogen 3.269 N/A LEU 715.A N VAL 730.A O no hydrogen 2.845 N/A GLN 716.A N ILE 644.A O no hydrogen 3.057 N/A GLN 716.A NE2 SER 727.A O no hydrogen 2.867 N/A ILE 717.A N SER 727.A OG no hydrogen 2.811 N/A GLN 718.A N GLU 642.A O no hydrogen 3.073 N/A SER 719.A N LYS 725.A O no hydrogen 2.605 N/A SER 719.A OG LYS 725.A O no hydrogen 2.583 N/A SER 720.A N TYR 639.A O no hydrogen 2.937 N/A SER 720.A OG GLU 640.A OE2 no hydrogen 3.104 N/A ASN 721.A ND2 CYS 602.A O no hydrogen 3.088 N/A ASN 721.A ND2 GLY 637.A O no hydrogen 2.709 N/A VAL 730.A N LEU 715.A O no hydrogen 2.874 N/A SER 731.A OG PHE 713.A O no hydrogen 3.044 N/A HIS 732.A N PHE 713.A O no hydrogen 2.891 N/A LYS 733.A NZ ASP 735.A OD2 no hydrogen 3.222 N/A VAL 734.A N VAL 711.A O no hydrogen 2.894 N/A LEU 736.A N THR 709.A O no hydrogen 3.143 N/A ALA 737.A N ILE 617.A O no hydrogen 3.097 N/A LEU 739.A N SER 788.A OG no hydrogen 2.576 N/A GLU 743.A N ARG 783.A O no hydrogen 2.796 N/A ARG 745.A N GLU 781.A O no hydrogen 2.811 N/A ARG 745.A NH2 GLY 746.A O no hydrogen 3.219 N/A VAL 747.A N ILE 779.A O no hydrogen 2.926 N/A SER 748.A OG SER 748.A O no hydrogen 2.498 N/A SER 748.A OG HIS 778.A NE2 no hydrogen 3.030 N/A SER 748.A OG THR 919.A O no hydrogen 3.066 N/A SER 748.A OG THR 920.A OG1 no hydrogen 2.496 N/A VAL 753.A N ASN 921.A O no hydrogen 2.895 N/A LEU 755.A N THR 923.A O no hydrogen 2.499 N/A ILE 757.A N PHE 754.A O no hydrogen 3.303 N/A TRP 760.A NE1 VAL 772.A O no hydrogen 3.000 N/A THR 768.A OG1 ASP 771.A OD1 no hydrogen 2.968 N/A THR 768.A OG1 ASP 771.A OD2 no hydrogen 2.961 N/A ASP 771.A N THR 768.A O no hydrogen 2.835 N/A VAL 772.A N GLU 769.A O no hydrogen 2.730 N/A GLY 773.A N GLU 769.A O no hydrogen 3.113 N/A HIS 778.A N VAL 870.A O no hydrogen 3.229 N/A HIS 778.A ND1 SER 893.A OG no hydrogen 3.136 N/A HIS 778.A NE2 THR 920.A OG1 no hydrogen 2.731 N/A ILE 779.A N VAL 747.A O no hydrogen 2.917 N/A TYR 780.A N LEU 868.A O no hydrogen 3.010 N/A TYR 780.A OH SER 893.A O no hydrogen 3.083 N/A TYR 780.A OH SER 893.A OG no hydrogen 2.175 N/A GLU 781.A N ARG 745.A O no hydrogen 2.714 N/A LEU 782.A N ALA 866.A O no hydrogen 3.100 N/A ARG 783.A N GLU 743.A O no hydrogen 2.938 N/A ARG 783.A NE SER 865.A OG no hydrogen 3.364 N/A ASN 784.A N LYS 864.A O no hydrogen 3.137 N/A ASN 784.A ND2 ALA 741.A O no hydrogen 3.230 N/A ASN 785.A N ALA 741.A O no hydrogen 2.485 N/A ASN 785.A ND2 ALA 741.A O no hydrogen 3.588 N/A ASN 785.A ND2 GLU 743.A OE1 no hydrogen 2.901 N/A GLY 786.A N ALA 741.A O no hydrogen 2.933 N/A SER 788.A N LEU 739.A O no hydrogen 2.945 N/A SER 788.A OG LEU 739.A O no hydrogen 2.268 N/A SER 789.A OG ASP 861.A OD1 no hydrogen 3.559 N/A PHE 790.A N LEU 860.A O no hydrogen 3.217 N/A SER 791.A N GLU 901.A O no hydrogen 2.600 N/A SER 791.A OG GLU 901.A O no hydrogen 2.898 N/A LYS 792.A N GLU 901.A O no hydrogen 2.773 N/A ALA 793.A N VAL 857.A O no hydrogen 3.321 N/A MET 794.A N ASN 898.A O no hydrogen 2.655 N/A LEU 795.A N CYS 855.A O no hydrogen 2.723 N/A HIS 796.A N SER 896.A O no hydrogen 2.825 N/A LEU 797.A N ILE 853.A O no hydrogen 3.056 N/A GLN 798.A N SER 894.A O no hydrogen 2.834 N/A TRP 799.A N LEU 851.A O no hydrogen 2.883 N/A TRP 799.A NE1 LEU 809.A O no hydrogen 3.054 N/A LYS 802.A N GLN 849.A O no hydrogen 3.219 N/A TYR 803.A N ASN 806.A O no hydrogen 2.898 N/A ASN 805.A N GLN 849.A OE1 no hydrogen 3.266 N/A LEU 808.A N TYR 801.A O no hydrogen 3.199 N/A TYR 810.A N LEU 873.A O no hydrogen 2.631 N/A TYR 810.A OH ASN 829.A OD1 no hydrogen 2.658 N/A LEU 812.A N LYS 871.A O no hydrogen 2.842 N/A TYR 814.A OH CYS 822.A O no hydrogen 3.380 N/A ASP 815.A N TYR 869.A O no hydrogen 2.646 N/A ASP 817.A N ILE 867.A O no hydrogen 2.951 N/A ASN 821.A N GLN 856.A O no hydrogen 3.283 N/A THR 823.A N VAL 854.A O no hydrogen 2.437 N/A SER 824.A OG MET 826.A O no hydrogen 2.365 N/A ASP 825.A N LYS 852.A O no hydrogen 2.959 N/A MET 826.A N SER 824.A OG no hydrogen 3.098 N/A ASN 829.A ND2 LEU 812.A O no hydrogen 3.578 N/A ASN 829.A ND2 ILE 833.A O no hydrogen 3.384 N/A LEU 831.A N TYR 810.A OH no hydrogen 2.809 N/A ARG 832.A N ASN 829.A O no hydrogen 2.611 N/A HIS 841.A ND1 SER 888.A O no hydrogen 2.852 N/A LEU 843.A N SER 890.A O no hydrogen 3.047 N/A CYS 845.A SG TRP 799.A O no hydrogen 3.454 N/A GLN 849.A N LYS 802.A O no hydrogen 2.841 N/A GLN 849.A NE2 TYR 803.A O no hydrogen 3.307 N/A CYS 850.A SG TRP 799.A O no hydrogen 3.990 N/A LEU 851.A N TRP 799.A O no hydrogen 3.036 N/A LYS 852.A N ASP 825.A OD1 no hydrogen 3.014 N/A LYS 852.A N ASP 825.A OD2 no hydrogen 3.144 N/A ILE 853.A N LEU 797.A O no hydrogen 3.023 N/A VAL 854.A N THR 823.A O no hydrogen 2.583 N/A CYS 855.A N LEU 795.A O no hydrogen 2.883 N/A GLN 856.A N ASN 821.A O no hydrogen 2.821 N/A VAL 857.A N ALA 793.A O no hydrogen 2.695 N/A GLY 858.A N PRO 819.A O no hydrogen 2.980 N/A ARG 859.A NH1 SER 789.A OG no hydrogen 2.981 N/A LEU 860.A N PHE 790.A O no hydrogen 3.290 N/A GLY 863.A N ASN 784.A O no hydrogen 2.925 N/A SER 865.A OG GLU 781.A OE2 no hydrogen 3.107 N/A ALA 866.A N LEU 782.A O no hydrogen 2.909 N/A ILE 867.A N ASP 817.A O no hydrogen 2.769 N/A LEU 868.A N TYR 780.A O no hydrogen 2.829 N/A TYR 869.A N ASP 815.A O no hydrogen 2.714 N/A VAL 870.A N HIS 778.A O no hydrogen 3.147 N/A LYS 871.A N HIS 813.A O no hydrogen 2.919 N/A SER 872.A OG VAL 776.A O no hydrogen 3.488 N/A LEU 874.A N PRO 774.A O no hydrogen 3.010 N/A TRP 875.A N LEU 808.A O no hydrogen 2.965 N/A THR 876.A OG1 VAL 772.A O no hydrogen 2.532 N/A THR 876.A OG1 LEU 874.A O no hydrogen 3.408 N/A GLU 883.A N GLU 883.A OE1 no hydrogen 2.516 N/A TYR 889.A N VAL 922.A O no hydrogen 3.138 N/A SER 890.A N HIS 841.A O no hydrogen 2.488 N/A SER 890.A OG ASN 921.A OD1 no hydrogen 2.969 N/A LEU 891.A N THR 920.A O no hydrogen 3.150 N/A LYS 892.A N LEU 843.A O no hydrogen 3.312 N/A SER 893.A N VAL 918.A O no hydrogen 3.177 N/A SER 893.A OG HIS 778.A ND1 no hydrogen 3.136 N/A SER 894.A N GLN 798.A O no hydrogen 3.209 N/A ALA 895.A N THR 916.A O no hydrogen 3.029 N/A SER 896.A N HIS 796.A O no hydrogen 2.716 N/A PHE 897.A N ASN 914.A O no hydrogen 2.927 N/A ASN 898.A N MET 794.A O no hydrogen 2.893 N/A VAL 899.A N ILE 912.A O no hydrogen 2.962 N/A ILE 900.A N LYS 792.A O no hydrogen 2.851 N/A GLU 901.A N LYS 792.A O no hydrogen 3.089 N/A ASN 906.A N TYR 904.A O no hydrogen 2.499 N/A THR 913.A OG1 ASP 911.A O no hydrogen 3.454 N/A SER 915.A N ASN 914.A OD1 no hydrogen 3.034 N/A THR 916.A N ALA 895.A O no hydrogen 3.144 N/A VAL 918.A N SER 893.A O no hydrogen 2.945 N/A THR 920.A N LEU 891.A O no hydrogen 2.817 N/A THR 920.A OG1 SER 748.A OG no hydrogen 2.496 N/A THR 920.A OG1 HIS 778.A NE2 no hydrogen 2.731 N/A VAL 922.A N TYR 889.A O no hydrogen 3.009 N/A THR 923.A N VAL 753.A O no hydrogen 2.852 N/A GLN 927.A NE2 GLY 925.A O no hydrogen 2.570 N/A