Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kq2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE HIS 160.A O no hydrogen 2.892 N/A ARG 2.A NH2 HIS 160.A O no hydrogen 3.442 N/A ASP 3.A N GLN 159.A O no hydrogen 2.789 N/A ASN 6.A N ASP 3.A OD2 no hydrogen 3.076 N/A ASN 6.A ND2 GLU 71.A OE2 no hydrogen 2.949 N/A HIS 7.A ND1 GLN 5.A O no hydrogen 3.113 N/A HIS 7.A NE2 TYR 38.A OH no hydrogen 2.643 N/A LEU 8.A N ALA 161.A O no hydrogen 2.744 N/A PHE 10.A N VAL 163.A O no hydrogen 2.800 N/A GLU 11.A N HIS 43.A O no hydrogen 3.043 N/A THR 12.A N HIS 165.A O no hydrogen 3.015 N/A ALA 13.A N ILE 45.A O no hydrogen 3.105 N/A ASN 18.A ND2 THR 14.A O no hydrogen 3.018 N/A SER 25.A OG GLY 22.A O no hydrogen 3.233 N/A VAL 26.A N GLY 22.A O no hydrogen 3.288 N/A LEU 27.A N ILE 23.A O no hydrogen 2.983 N/A LYS 28.A N TYR 24.A O no hydrogen 2.895 N/A SER 29.A N SER 25.A O no hydrogen 3.136 N/A SER 29.A OG SER 25.A O no hydrogen 2.729 N/A SER 29.A OG VAL 26.A O no hydrogen 3.077 N/A LYS 30.A N VAL 26.A O no hydrogen 3.012 N/A LYS 30.A NZ GLU 11.A OE1 no hydrogen 2.670 N/A LYS 30.A NZ GLU 11.A OE2 no hydrogen 3.428 N/A LYS 30.A NZ THR 34.A OG1 no hydrogen 3.099 N/A ALA 31.A N LEU 27.A O no hydrogen 3.226 N/A ALA 31.A N LYS 28.A O no hydrogen 2.985 N/A THR 34.A N LYS 30.A O no hydrogen 3.181 N/A THR 34.A OG1 LYS 30.A O no hydrogen 2.810 N/A VAL 35.A N ALA 31.A O no hydrogen 2.841 N/A ALA 36.A N PRO 32.A O no hydrogen 2.818 N/A GLN 37.A N ILE 33.A O no hydrogen 3.305 N/A GLN 37.A N THR 34.A O no hydrogen 3.252 N/A TYR 38.A N THR 34.A O no hydrogen 2.903 N/A TYR 38.A OH HIS 7.A NE2 no hydrogen 2.643 N/A LYS 39.A N VAL 35.A O no hydrogen 2.542 N/A HIS 41.A N TYR 38.A O no hydrogen 2.899 N/A HIS 41.A ND1 TYR 38.A O no hydrogen 3.159 N/A TYR 42.A OH GLU 11.A OE1 no hydrogen 2.717 N/A HIS 43.A N LEU 9.A O no hydrogen 3.103 N/A LEU 44.A N LYS 101.A O no hydrogen 3.086 N/A ILE 45.A N GLU 11.A O no hydrogen 3.003 N/A GLY 46.A N ILE 103.A O no hydrogen 3.287 N/A LEU 48.A N PHE 105.A O no hydrogen 2.904 N/A LYS 50.A NZ ASP 106.A OD1 no hydrogen 3.459 N/A ALA 51.A N ASN 49.A OD1 no hydrogen 3.267 N/A THR 52.A N ASN 49.A O no hydrogen 3.264 N/A TYR 53.A N ASN 49.A O no hydrogen 2.933 N/A GLU 56.A N TYR 53.A O no hydrogen 3.310 N/A VAL 57.A N TYR 53.A O no hydrogen 3.036 N/A ASP 58.A N ARG 93.A O no hydrogen 3.080 N/A LEU 60.A N TYR 91.A O no hydrogen 2.852 N/A LYS 64.A N ASP 61.A OD2 no hydrogen 3.262 N/A ALA 67.A N LYS 64.A O no hydrogen 3.210 N/A ARG 73.A NH2 PRO 65.A O no hydrogen 2.932 N/A VAL 75.A N MET 72.A O no hydrogen 3.306 N/A GLN 76.A NE2 TRP 62.A O no hydrogen 3.058 N/A GLN 76.A NE2 LYS 64.A O no hydrogen 2.930 N/A HIS 77.A N ARG 73.A O no hydrogen 3.270 N/A ALA 78.A N PRO 74.A O no hydrogen 3.171 N/A LEU 79.A N VAL 75.A O no hydrogen 2.892 N/A GLN 80.A N GLN 76.A O no hydrogen 3.100 N/A THR 81.A N HIS 77.A O no hydrogen 3.100 N/A THR 81.A OG1 HIS 77.A O no hydrogen 2.861 N/A SER 84.A N GLN 80.A O no hydrogen 2.740 N/A SER 84.A OG GLN 80.A O no hydrogen 3.276 N/A GLY 86.A N GLU 83.A O no hydrogen 3.290 N/A VAL 87.A N MET 82.A O no hydrogen 2.739 N/A HIS 88.A N SER 109.A OG no hydrogen 3.200 N/A VAL 90.A N LEU 104.A O no hydrogen 2.793 N/A GLY 92.A N VAL 102.A O no hydrogen 3.430 N/A ARG 93.A N ASP 58.A O no hydrogen 2.973 N/A TRP 94.A N PRO 100.A O no hydrogen 2.891 N/A TRP 94.A NE1 GLU 56.A OE1 no hydrogen 2.801 N/A LEU 95.A N GLU 56.A O no hydrogen 3.044 N/A ALA 99.A N ILE 96.A O no hydrogen 2.902 N/A VAL 102.A N GLY 92.A O no hydrogen 3.171 N/A ILE 103.A N LEU 44.A O no hydrogen 2.801 N/A LEU 104.A N VAL 90.A O no hydrogen 2.925 N/A PHE 105.A N GLY 46.A O no hydrogen 3.120 N/A ASP 106.A N HIS 88.A O no hydrogen 3.109 N/A SER 109.A N ASP 106.A O no hydrogen 3.246 N/A SER 109.A OG HIS 88.A O no hydrogen 3.570 N/A SER 109.A OG ASP 106.A O no hydrogen 2.734 N/A ARG 111.A N ASP 108.A O no hydrogen 3.135 N/A TYR 113.A N VAL 110.A O no hydrogen 2.746 N/A SER 114.A N ARG 111.A O no hydrogen 3.260 N/A TRP 117.A N TYR 113.A O no hydrogen 2.952 N/A LYS 118.A N SER 114.A O no hydrogen 2.785 N/A LYS 118.A NZ GLU 131.A OE2 no hydrogen 3.513 N/A LYS 118.A NZ ASN 137.A OD1 no hydrogen 2.711 N/A GLY 119.A N ASN 115.A O no hydrogen 3.373 N/A ASP 120.A N GLU 116.A O no hydrogen 3.109 N/A LEU 121.A N TRP 117.A O no hydrogen 2.929 N/A SER 123.A N GLY 119.A O no hydrogen 3.162 N/A SER 123.A OG GLY 119.A O no hydrogen 3.039 N/A SER 123.A OG ASP 120.A O no hydrogen 3.302 N/A VAL 125.A N LEU 121.A O no hydrogen 2.824 N/A GLY 126.A N LEU 121.A O no hydrogen 3.179 N/A THR 136.A N ASP 133.A OD1 no hydrogen 3.001 N/A ASN 137.A N ASP 133.A O no hydrogen 3.191 N/A ASN 137.A ND2 GLU 131.A O no hydrogen 2.666 N/A ASP 138.A N PHE 134.A O no hydrogen 3.351 N/A ALA 139.A N GLU 135.A O no hydrogen 2.927 N/A ILE 140.A N THR 136.A O no hydrogen 3.119 N/A LEU 141.A N ASN 137.A O no hydrogen 3.203 N/A LEU 142.A N ASP 138.A O no hydrogen 3.018 N/A GLY 143.A N ALA 139.A O no hydrogen 3.002 N/A TYR 144.A N ILE 140.A O no hydrogen 3.269 N/A TYR 144.A OH ASP 120.A OD2 no hydrogen 2.750 N/A THR 145.A N LEU 141.A O no hydrogen 3.304 N/A THR 145.A OG1 LEU 141.A O no hydrogen 2.633 N/A VAL 146.A N LEU 142.A O no hydrogen 2.945 N/A ALA 147.A N GLY 143.A O no hydrogen 3.029 N/A TRP 148.A N TYR 144.A O no hydrogen 3.092 N/A PHE 149.A N THR 145.A O no hydrogen 3.015 N/A LEU 150.A N VAL 146.A O no hydrogen 2.668 N/A GLY 151.A N ALA 147.A O no hydrogen 2.902 N/A GLU 152.A N TRP 148.A O no hydrogen 3.238 N/A GLU 152.A N PHE 149.A O no hydrogen 3.064 N/A VAL 153.A N PHE 149.A O no hydrogen 3.057 N/A ALA 154.A N LEU 150.A O no hydrogen 2.773 N/A HIS 155.A N GLU 152.A O no hydrogen 3.196 N/A LEU 156.A N VAL 153.A O no hydrogen 3.498 N/A ASP 157.A N VAL 153.A O no hydrogen 3.077 N/A GLN 159.A N ASP 157.A OD1 no hydrogen 2.878 N/A HIS 160.A N ASP 157.A OD1 no hydrogen 3.133 N/A HIS 160.A ND1 ASP 157.A OD2 no hydrogen 2.794 N/A HIS 160.A NE2 GLU 71.A OE2 no hydrogen 2.675 N/A ALA 161.A N ASP 3.A O no hydrogen 2.945 N/A VAL 163.A N LEU 8.A O no hydrogen 2.689 N/A ALA 164.A N VAL 186.A O no hydrogen 2.748 N/A HIS 165.A N PHE 10.A O no hydrogen 2.990 N/A HIS 165.A NE2 THR 190.A OG1 no hydrogen 2.564 N/A PHE 166.A N ILE 188.A O no hydrogen 2.743 N/A HIS 167.A N THR 12.A O no hydrogen 3.058 N/A HIS 167.A ND1 HIS 192.A NE2 no hydrogen 2.742 N/A HIS 167.A NE2 GLU 11.A OE2 no hydrogen 3.064 N/A GLU 168.A N THR 190.A O no hydrogen 2.828 N/A TRP 169.A N GLU 168.A OE1 no hydrogen 3.476 N/A ALA 171.A N GLU 168.A O no hydrogen 3.106 N/A GLY 172.A N TRP 169.A O no hydrogen 2.918 N/A CYS 178.A N ALA 174.A O no hydrogen 3.101 N/A CYS 178.A SG ALA 174.A O no hydrogen 3.412 N/A ARG 179.A N LEU 175.A O no hydrogen 3.396 N/A ARG 179.A NE SER 239.A O no hydrogen 2.956 N/A LYS 180.A N PRO 176.A O no hydrogen 3.178 N/A ARG 181.A N LEU 177.A O no hydrogen 2.762 N/A ARG 182.A N ARG 179.A O no hydrogen 3.165 N/A ILE 183.A N CYS 178.A O no hydrogen 3.180 N/A VAL 185.A N ILE 183.A O no hydrogen 2.816 N/A VAL 186.A N ILE 162.A O no hydrogen 2.721 N/A THR 187.A OG1 ASP 241.A OD1 no hydrogen 3.517 N/A ILE 188.A N ALA 164.A O no hydrogen 3.007 N/A PHE 189.A N VAL 242.A O no hydrogen 2.878 N/A THR 190.A N PHE 166.A O no hydrogen 2.793 N/A THR 190.A OG1 HIS 165.A NE2 no hydrogen 2.564 N/A THR 190.A OG1 THR 244.A OG1 no hydrogen 2.667 N/A THR 191.A N THR 244.A O no hydrogen 3.109 N/A THR 191.A OG1 GLU 168.A OE1 no hydrogen 2.812 N/A THR 191.A OG1 ALA 193.A O no hydrogen 3.436 N/A HIS 192.A N GLU 168.A OE2 no hydrogen 2.581 N/A HIS 192.A NE2 HIS 167.A ND1 no hydrogen 2.742 N/A THR 194.A OG1 GLU 253.A OE1 no hydrogen 2.337 N/A THR 194.A OG1 TYR 507.A OH no hydrogen 3.398 N/A LEU 195.A N GLU 233.A OE2 no hydrogen 2.868 N/A GLY 197.A N THR 194.A OG1 no hydrogen 3.130 N/A LEU 200.A N LEU 196.A O no hydrogen 2.924 N/A CYS 201.A N GLY 197.A O no hydrogen 3.317 N/A CYS 201.A N ARG 198.A O no hydrogen 3.363 N/A CYS 201.A SG GLY 197.A O no hydrogen 3.204 N/A ALA 202.A N ARG 198.A O no hydrogen 3.188 N/A TYR 209.A OH TYR 506.A O no hydrogen 2.557 N/A ASN 210.A N ASP 207.A OD1 no hydrogen 3.240 N/A ASN 210.A ND2 ASP 207.A OD2 no hydrogen 3.491 N/A CYS 211.A SG ASP 207.A OD1 no hydrogen 3.859 N/A LEU 212.A N ASN 210.A O no hydrogen 2.671 N/A HIS 219.A N ASP 216.A OD1 no hydrogen 3.460 N/A GLU 220.A N ASP 216.A O no hydrogen 2.895 N/A GLY 222.A N ASP 218.A O no hydrogen 3.194 N/A ARG 223.A N HIS 219.A O no hydrogen 2.839 N/A ARG 223.A NE GLU 220.A OE2 no hydrogen 3.068 N/A ARG 223.A NH2 GLU 220.A OE2 no hydrogen 2.743 N/A PHE 224.A N GLU 220.A O no hydrogen 3.238 N/A GLY 225.A N GLY 222.A O no hydrogen 2.835 N/A ILE 226.A N ALA 221.A O no hydrogen 3.004 N/A TYR 227.A OH ASP 218.A OD1 no hydrogen 3.348 N/A HIS 228.A NE2 ASP 133.A OD2 no hydrogen 2.946 N/A ARG 229.A NE ASP 133.A OD2 no hydrogen 2.974 N/A ARG 229.A NH2 ASP 133.A OD1 no hydrogen 2.822 N/A ARG 229.A NH2 ASP 133.A OD2 no hydrogen 3.279 N/A TYR 230.A N ILE 226.A O no hydrogen 3.268 N/A TYR 230.A OH LEU 257.A O no hydrogen 2.846 N/A CYS 231.A N TYR 227.A O no hydrogen 3.172 N/A CYS 231.A SG TYR 227.A O no hydrogen 3.321 N/A GLU 233.A N ARG 229.A O no hydrogen 3.113 N/A ARG 234.A N TYR 230.A O no hydrogen 3.125 N/A ALA 235.A N CYS 231.A O no hydrogen 2.725 N/A ALA 236.A N ILE 232.A O no hydrogen 2.853 N/A ALA 237.A N GLU 233.A O no hydrogen 3.019 N/A HIS 238.A N ARG 234.A O no hydrogen 2.972 N/A HIS 238.A NE2 LYS 259.A O no hydrogen 2.810 N/A SER 239.A N ALA 235.A O no hydrogen 2.836 N/A ALA 240.A N ALA 236.A O no hydrogen 3.257 N/A ASP 241.A N THR 187.A OG1 no hydrogen 2.977 N/A VAL 242.A N THR 187.A O no hydrogen 2.979 N/A PHE 243.A N ASP 263.A OD2 no hydrogen 2.816 N/A THR 244.A N PHE 189.A O no hydrogen 3.178 N/A THR 244.A OG1 PHE 189.A O no hydrogen 2.712 N/A THR 245.A OG1 SER 247.A O no hydrogen 3.135 N/A SER 247.A OG PRO 509.A O no hydrogen 2.631 N/A THR 250.A OG1 SER 247.A OG no hydrogen 3.314 N/A ALA 251.A N SER 247.A O no hydrogen 3.113 N/A ALA 251.A N GLN 248.A O no hydrogen 2.817 N/A PHE 252.A N GLN 248.A O no hydrogen 3.029 N/A ALA 254.A N THR 250.A O no hydrogen 2.938 N/A GLU 255.A N ALA 251.A O no hydrogen 3.332 N/A HIS 256.A N GLU 253.A O no hydrogen 3.208 N/A HIS 256.A ND1 PHE 252.A O no hydrogen 2.997 N/A LEU 257.A N GLU 253.A O no hydrogen 3.007 N/A LEU 258.A N ALA 254.A O no hydrogen 2.965 N/A LYS 259.A NZ HIS 256.A O no hydrogen 2.945 N/A ARG 260.A NH1 ALA 237.A O no hydrogen 2.521 N/A ARG 260.A NH1 ALA 240.A O no hydrogen 2.851 N/A ARG 260.A NH2 ALA 240.A O no hydrogen 3.318 N/A ASP 263.A N PHE 243.A O no hydrogen 2.920 N/A LEU 266.A N THR 245.A O no hydrogen 2.818 N/A LEU 270.A N LEU 596.A O no hydrogen 2.801 N/A LYS 274.A NZ ASP 594.A OD1 no hydrogen 3.411 N/A GLU 280.A N ALA 277.A O no hydrogen 3.188 N/A ASN 283.A ND2 GLU 280.A OE1 no hydrogen 3.418 N/A LEU 284.A N GLU 280.A O no hydrogen 2.978 N/A HIS 285.A N PHE 281.A O no hydrogen 2.893 N/A HIS 285.A ND1 ARG 496.A O no hydrogen 3.018 N/A ALA 286.A N GLN 282.A O no hydrogen 3.305 N/A LEU 287.A N ASN 283.A O no hydrogen 3.025 N/A LYS 288.A N LEU 284.A O no hydrogen 2.799 N/A LYS 289.A N HIS 285.A O no hydrogen 2.712 N/A GLU 290.A N ALA 286.A O no hydrogen 3.060 N/A LYS 291.A N LYS 288.A O no hydrogen 2.927 N/A ASN 293.A N LYS 289.A O no hydrogen 3.023 N/A ASN 293.A ND2 GLU 290.A OE1 no hydrogen 3.328 N/A ASP 294.A N GLU 290.A O no hydrogen 2.934 N/A VAL 296.A N ILE 292.A O no hydrogen 2.795 N/A ARG 297.A N ASN 293.A O no hydrogen 3.015 N/A ARG 297.A NH2 GLU 290.A OE2 no hydrogen 2.731 N/A HIS 299.A N PHE 295.A O no hydrogen 2.927 N/A HIS 299.A NE2 PRO 440.A O no hydrogen 3.210 N/A PHE 300.A N VAL 296.A O no hydrogen 2.893 N/A HIS 301.A ND1 LEU 431.A O no hydrogen 2.593 N/A HIS 301.A NE2 GLU 366.A OE2 no hydrogen 3.013 N/A CYS 303.A N PHE 300.A O no hydrogen 2.994 N/A ASP 309.A N ASP 307.A OD1 no hydrogen 3.362 N/A ASN 310.A N ASP 307.A O no hydrogen 2.656 N/A ASN 310.A ND2 LYS 347.A O no hydrogen 3.003 N/A THR 311.A N LEU 308.A O no hydrogen 3.358 N/A THR 311.A OG1 ASP 307.A O no hydrogen 3.172 N/A LEU 312.A N THR 349.A O no hydrogen 3.146 N/A TYR 313.A N HIS 499.A ND1 no hydrogen 2.856 N/A TYR 313.A OH ASN 293.A OD1 no hydrogen 2.845 N/A PHE 314.A N VAL 351.A O no hydrogen 3.115 N/A PHE 315.A N LEU 500.A O no hydrogen 3.312 N/A ILE 316.A N PHE 353.A O no hydrogen 2.965 N/A GLY 318.A N VAL 355.A O no hydrogen 3.126 N/A TYR 320.A OH ASP 452.A OD1 no hydrogen 2.628 N/A TYR 320.A OH ASP 452.A OD2 no hydrogen 3.171 N/A LYS 323.A NZ ASP 328.A OD2 no hydrogen 3.096 N/A LYS 325.A N GLU 321.A O no hydrogen 2.947 N/A LYS 325.A NZ ALA 317.A O no hydrogen 3.027 N/A GLY 326.A N LYS 323.A O no hydrogen 3.305 N/A ALA 327.A N TYR 322.A O no hydrogen 3.205 N/A MET 329.A N ASP 328.A OD1 no hydrogen 2.649 N/A PHE 330.A N GLY 326.A O no hydrogen 2.943 N/A ILE 331.A N ALA 327.A O no hydrogen 2.736 N/A GLU 332.A N ASP 328.A O no hydrogen 2.937 N/A ALA 333.A N MET 329.A O no hydrogen 2.560 N/A LEU 334.A N PHE 330.A O no hydrogen 3.249 N/A ALA 335.A N ILE 331.A O no hydrogen 3.288 N/A ARG 336.A N GLU 332.A O no hydrogen 3.099 N/A ARG 336.A NE GLU 565.A OE2 no hydrogen 3.014 N/A ARG 336.A NH1 GLU 332.A OE2 no hydrogen 2.689 N/A ARG 336.A NH2 ASP 561.A OD1 no hydrogen 2.716 N/A ARG 336.A NH2 GLU 565.A OE2 no hydrogen 2.980 N/A LEU 337.A N ALA 333.A O no hydrogen 2.995 N/A ASN 338.A N LEU 334.A O no hydrogen 2.558 N/A ASN 338.A ND2 ASP 469.A OD1 no hydrogen 2.785 N/A TYR 339.A N ALA 335.A O no hydrogen 3.049 N/A ARG 340.A N ARG 336.A O no hydrogen 2.819 N/A ARG 340.A NH1 ASP 569.A OD1 no hydrogen 3.191 N/A ARG 340.A NH2 GLU 565.A O no hydrogen 3.476 N/A ARG 340.A NH2 ASP 569.A OD1 no hydrogen 3.112 N/A LEU 341.A N LEU 337.A O no hydrogen 2.870 N/A LEU 341.A N ASN 338.A O no hydrogen 3.201 N/A LYS 342.A N ASN 338.A O no hydrogen 3.213 N/A VAL 343.A N TYR 339.A O no hydrogen 3.148 N/A SER 344.A N ARG 340.A O no hydrogen 3.099 N/A SER 344.A OG ARG 340.A O no hydrogen 2.914 N/A SER 344.A OG LEU 341.A O no hydrogen 3.342 N/A GLY 345.A N LYS 342.A O no hydrogen 3.115 N/A SER 346.A N LEU 341.A O no hydrogen 2.984 N/A LYS 348.A NZ VAL 575.A O no hydrogen 3.403 N/A THR 349.A N ASN 310.A O no hydrogen 3.396 N/A PHE 353.A N PHE 314.A O no hydrogen 2.686 N/A ILE 354.A N ILE 474.A O no hydrogen 2.909 N/A VAL 355.A N ILE 316.A O no hydrogen 2.862 N/A MET 356.A N HIS 476.A O no hydrogen 3.278 N/A ALA 358.A N PRO 477.A O no hydrogen 3.430 N/A ASN 360.A ND2 ALA 358.A O no hydrogen 2.764 N/A ASN 361.A N ASN 445.A O no hydrogen 2.616 N/A SER 362.A N ASN 360.A OD1 no hydrogen 2.804 N/A THR 364.A N THR 443.A O no hydrogen 2.735 N/A THR 364.A OG1 THR 443.A O no hydrogen 3.324 N/A LEU 368.A N THR 364.A O no hydrogen 3.303 N/A LYS 369.A N VAL 365.A O no hydrogen 3.067 N/A GLY 370.A N GLU 366.A O no hydrogen 2.882 N/A GLN 371.A N ALA 367.A O no hydrogen 3.224 N/A ALA 372.A N LEU 368.A O no hydrogen 3.052 N/A GLU 373.A N LYS 369.A O no hydrogen 3.070 N/A GLU 373.A N GLY 370.A O no hydrogen 3.041 N/A VAL 374.A N GLY 370.A O no hydrogen 3.132 N/A ARG 375.A N GLN 371.A O no hydrogen 2.966 N/A ARG 375.A NH1 ASP 294.A OD2 no hydrogen 3.328 N/A ARG 375.A NH2 ASP 294.A OD2 no hydrogen 2.691 N/A ALA 376.A N ALA 372.A O no hydrogen 3.113 N/A GLU 378.A N VAL 374.A O no hydrogen 3.264 N/A ASN 379.A N ARG 375.A O no hydrogen 3.032 N/A THR 380.A N ALA 376.A O no hydrogen 3.062 N/A THR 380.A OG1 ALA 376.A O no hydrogen 2.862 N/A VAL 381.A N LEU 377.A O no hydrogen 2.713 N/A HIS 382.A N GLU 378.A O no hydrogen 2.831 N/A GLU 383.A N ASN 379.A O no hydrogen 3.109 N/A VAL 384.A N THR 380.A O no hydrogen 3.030 N/A THR 385.A N VAL 381.A O no hydrogen 2.907 N/A THR 385.A OG1 VAL 381.A O no hydrogen 2.901 N/A THR 385.A OG1 HIS 382.A O no hydrogen 2.931 N/A THR 386.A N HIS 382.A O no hydrogen 2.966 N/A THR 386.A OG1 HIS 382.A O no hydrogen 3.327 N/A SER 387.A N GLU 383.A O no hydrogen 3.057 N/A SER 387.A OG GLU 383.A O no hydrogen 3.501 N/A ILE 388.A N VAL 384.A O no hydrogen 3.034 N/A GLY 389.A N THR 385.A O no hydrogen 2.956 N/A LYS 390.A N THR 386.A O no hydrogen 3.133 N/A ARG 391.A N SER 387.A O no hydrogen 3.328 N/A ARG 391.A NE LEU 415.A O no hydrogen 2.812 N/A ARG 391.A NH2 LEU 415.A O no hydrogen 2.639 N/A ARG 391.A NH2 ASP 420.A OD2 no hydrogen 2.767 N/A ILE 392.A N ILE 388.A O no hydrogen 2.639 N/A PHE 393.A N GLY 389.A O no hydrogen 2.813 N/A ASP 394.A N LYS 390.A O no hydrogen 2.695 N/A HIS 395.A N ARG 391.A O no hydrogen 3.073 N/A HIS 395.A NE2 THR 406.A O no hydrogen 2.596 N/A ALA 396.A N ILE 392.A O no hydrogen 2.952 N/A ILE 397.A N PHE 393.A O no hydrogen 2.980 N/A ILE 397.A N ASP 394.A O no hydrogen 3.110 N/A ARG 398.A N ASP 394.A O no hydrogen 3.040 N/A ARG 398.A NE ASP 394.A OD1 no hydrogen 3.077 N/A ARG 398.A NH1 ASN 402.A OD1 no hydrogen 3.435 N/A ARG 398.A NH2 ASP 394.A OD2 no hydrogen 2.610 N/A TYR 399.A N HIS 395.A O no hydrogen 3.116 N/A HIS 401.A N ARG 398.A O no hydrogen 2.792 N/A LEU 404.A N HIS 401.A O no hydrogen 3.363 N/A THR 406.A OG1 LEU 408.A O no hydrogen 2.897 N/A GLU 414.A N ASP 411.A O no hydrogen 2.852 N/A LEU 415.A N LEU 412.A O no hydrogen 3.370 N/A LEU 416.A N LEU 412.A O no hydrogen 2.937 N/A LYS 417.A NZ GLY 413.A O no hydrogen 3.290 N/A LYS 421.A N LYS 417.A O no hydrogen 3.067 N/A VAL 422.A N SER 418.A O no hydrogen 2.951 N/A MET 423.A N SER 419.A O no hydrogen 3.251 N/A LEU 424.A N ASP 420.A O no hydrogen 3.015 N/A LYS 425.A N LYS 421.A O no hydrogen 2.969 N/A ARG 426.A N VAL 422.A O no hydrogen 3.308 N/A ARG 427.A N MET 423.A O no hydrogen 3.291 N/A ARG 427.A N LEU 424.A O no hydrogen 3.212 N/A ARG 427.A NE THR 380.A OG1 no hydrogen 3.080 N/A ILE 428.A N LEU 424.A O no hydrogen 3.256 N/A LEU 429.A N LYS 425.A O no hydrogen 2.768 N/A ALA 430.A N ARG 426.A O no hydrogen 3.184 N/A LEU 431.A N ILE 428.A O no hydrogen 3.172 N/A ARG 432.A N ILE 428.A O no hydrogen 3.246 N/A ARG 432.A N LEU 429.A O no hydrogen 3.124 N/A ARG 433.A NE GLN 437.A OE1 no hydrogen 2.796 N/A ARG 433.A NH1 HIS 299.A O no hydrogen 3.081 N/A ARG 433.A NH1 HIS 301.A O no hydrogen 3.458 N/A ARG 433.A NH2 GLN 437.A OE1 no hydrogen 2.938 N/A GLN 437.A N PRO 434.A O no hydrogen 3.119 N/A THR 443.A OG1 HIS 444.A ND1 no hydrogen 2.610 N/A HIS 444.A ND1 THR 443.A OG1 no hydrogen 2.610 N/A ASN 445.A N SER 362.A O no hydrogen 2.935 N/A VAL 447.A N LYS 359.A O no hydrogen 3.181 N/A ILE 454.A N TYR 320.A OH no hydrogen 3.452 N/A LEU 455.A N ASP 452.A OD2 no hydrogen 2.932 N/A ASN 456.A N ASP 452.A O no hydrogen 2.778 N/A ASN 456.A ND2 ALA 450.A O no hydrogen 2.742 N/A LYS 457.A N LEU 453.A O no hydrogen 2.920 N/A LYS 457.A NZ GLN 460.A OE1 no hydrogen 3.373 N/A ILE 458.A N ILE 454.A O no hydrogen 2.975 N/A ARG 459.A N LEU 455.A O no hydrogen 2.980 N/A ARG 459.A NH1 ASP 449.A O no hydrogen 3.123 N/A ARG 459.A NH1 ASN 456.A OD1 no hydrogen 2.920 N/A ARG 459.A NH2 ASP 449.A OD1 no hydrogen 2.508 N/A ARG 459.A NH2 ASP 449.A OD2 no hydrogen 2.825 N/A GLN 460.A N ASN 456.A O no hydrogen 3.188 N/A GLN 460.A NE2 GLN 460.A O no hydrogen 2.710 N/A VAL 461.A N LYS 457.A O no hydrogen 3.080 N/A VAL 461.A N ILE 458.A O no hydrogen 2.922 N/A GLN 462.A N ARG 459.A O no hydrogen 2.955 N/A LEU 463.A N ILE 458.A O no hydrogen 3.458 N/A ASN 465.A ND2 PRO 439.A O no hydrogen 2.814 N/A ASN 465.A ND2 PRO 440.A O no hydrogen 2.752 N/A ASN 465.A ND2 MET 473.A O no hydrogen 3.114 N/A SER 466.A N ASP 469.A OD2 no hydrogen 3.323 N/A SER 466.A OG SER 468.A OG no hydrogen 3.354 N/A SER 468.A OG SER 466.A OG no hydrogen 3.354 N/A ASP 469.A N SER 466.A O no hydrogen 2.523 N/A ARG 470.A N ASN 338.A OD1 no hydrogen 2.730 N/A ARG 470.A NH1 LYS 348.A O no hydrogen 2.804 N/A ARG 470.A NH2 PRO 467.A O no hydrogen 3.549 N/A ARG 470.A NH2 ASP 469.A O no hydrogen 3.099 N/A LYS 472.A N VAL 350.A O no hydrogen 2.639 N/A LYS 472.A NZ SER 466.A O no hydrogen 3.253 N/A LYS 472.A NZ ASP 469.A O no hydrogen 3.235 N/A MET 473.A N ASN 465.A OD1 no hydrogen 2.794 N/A ILE 474.A N ALA 352.A O no hydrogen 2.995 N/A PHE 475.A N ILE 441.A O no hydrogen 2.931 N/A HIS 476.A N ILE 354.A O no hydrogen 2.626 N/A GLU 478.A N HIS 476.A O no hydrogen 2.870 N/A ALA 482.A N ASP 490.A OD1 no hydrogen 2.899 N/A ASN 483.A N ASN 481.A OD1 no hydrogen 2.919 N/A ASN 483.A ND2 ASN 481.A OD1 no hydrogen 3.119 N/A ASN 484.A N ASN 481.A O no hydrogen 2.924 N/A ILE 486.A N ASN 484.A OD1 no hydrogen 3.191 N/A LEU 487.A N ASN 484.A OD1 no hydrogen 2.763 N/A LEU 489.A N LEU 487.A O no hydrogen 3.027 N/A ASP 490.A N GLU 493.A OE1 no hydrogen 3.189 N/A TYR 491.A N LEU 480.A O no hydrogen 3.312 N/A GLU 493.A N ASP 490.A O no hydrogen 2.840 N/A PHE 494.A N ASP 490.A O no hydrogen 3.163 N/A VAL 495.A N TYR 491.A O no hydrogen 2.938 N/A ARG 496.A N ASP 492.A O no hydrogen 3.177 N/A GLY 497.A N GLU 493.A O no hydrogen 3.153 N/A CYS 498.A N PHE 494.A O no hydrogen 3.070 N/A CYS 498.A N VAL 495.A O no hydrogen 3.237 N/A CYS 498.A SG PHE 494.A O no hydrogen 3.861 N/A HIS 499.A N TYR 313.A O no hydrogen 2.870 N/A LEU 500.A N TYR 313.A O no hydrogen 3.127 N/A GLY 501.A N PRO 523.A O no hydrogen 2.999 N/A VAL 502.A N PHE 315.A O no hydrogen 2.891 N/A PHE 503.A N ILE 525.A O no hydrogen 2.811 N/A SER 505.A OG LYS 325.A O no hydrogen 3.332 N/A SER 505.A OG PHE 503.A O no hydrogen 3.467 N/A SER 505.A OG GLU 508.A OE1 no hydrogen 3.047 N/A TYR 506.A N ASN 324.A O no hydrogen 2.713 N/A TYR 507.A OH THR 194.A OG1 no hydrogen 3.398 N/A TYR 507.A OH GLU 253.A OE1 no hydrogen 3.351 N/A TYR 512.A OH GLY 269.A O no hydrogen 3.179 N/A GLU 516.A N TYR 512.A O no hydrogen 2.617 N/A CYS 517.A N THR 513.A O no hydrogen 3.106 N/A CYS 517.A SG VAL 522.A O no hydrogen 3.415 N/A THR 518.A N PRO 514.A O no hydrogen 3.008 N/A THR 518.A OG1 PRO 514.A O no hydrogen 2.591 N/A VAL 519.A N ALA 515.A O no hydrogen 3.094 N/A MET 520.A N GLU 516.A O no hydrogen 3.027 N/A GLY 521.A N THR 518.A O no hydrogen 3.118 N/A VAL 522.A N CYS 517.A O no hydrogen 3.004 N/A SER 524.A N GLY 549.A O no hydrogen 2.702 N/A ILE 525.A N GLY 501.A O no hydrogen 2.744 N/A THR 526.A N TYR 551.A O no hydrogen 2.789 N/A THR 527.A OG1 SER 505.A O no hydrogen 2.553 N/A ASN 528.A N VAL 553.A O no hydrogen 3.038 N/A SER 530.A N THR 527.A O no hydrogen 2.968 N/A SER 530.A OG THR 526.A OG1 no hydrogen 2.862 N/A SER 530.A OG THR 527.A O no hydrogen 3.035 N/A GLY 531.A N GLU 508.A O no hydrogen 2.467 N/A PHE 532.A N TRP 510.A O no hydrogen 2.799 N/A GLY 533.A N SER 530.A OG no hydrogen 3.036 N/A SER 534.A N SER 530.A O no hydrogen 2.669 N/A SER 534.A OG GLY 531.A O no hydrogen 3.411 N/A TYR 535.A N GLY 531.A O no hydrogen 3.011 N/A MET 536.A N PHE 532.A O no hydrogen 2.951 N/A GLU 537.A N GLY 533.A O no hydrogen 2.852 N/A ASP 538.A N SER 534.A O no hydrogen 3.268 N/A LEU 539.A N TYR 535.A O no hydrogen 3.445 N/A ASN 543.A N GLU 541.A OE2 no hydrogen 2.650 N/A GLN 544.A N GLU 541.A OE1 no hydrogen 3.303 N/A ALA 545.A N GLU 541.A O no hydrogen 3.119 N/A ASP 547.A N GLN 544.A O no hydrogen 2.731 N/A GLY 549.A N LYS 546.A O no hydrogen 3.411 N/A ILE 550.A N ALA 545.A O no hydrogen 2.618 N/A TYR 551.A N SER 524.A O no hydrogen 2.817 N/A VAL 553.A N THR 526.A O no hydrogen 2.843 N/A ASP 554.A N GLN 566.A OE1 no hydrogen 2.571 N/A ARG 555.A N ASN 528.A OD1 no hydrogen 3.226 N/A ARG 556.A N ASP 554.A OD1 no hydrogen 2.935 N/A PHE 557.A N ASP 554.A OD1 no hydrogen 2.814 N/A ALA 559.A N GLU 562.A OE2 no hydrogen 2.986 N/A GLU 562.A N ALA 559.A O no hydrogen 2.784 N/A SER 563.A N ALA 559.A O no hydrogen 2.989 N/A SER 563.A OG ASP 554.A O no hydrogen 2.563 N/A GLN 566.A N GLU 562.A O no hydrogen 3.035 N/A LEU 567.A N SER 563.A O no hydrogen 2.929 N/A VAL 568.A N VAL 564.A O no hydrogen 3.215 N/A ASP 569.A N GLU 565.A O no hydrogen 2.826 N/A TYR 570.A N GLN 566.A O no hydrogen 2.932 N/A TYR 570.A OH ILE 552.A O no hydrogen 2.525 N/A MET 571.A N LEU 567.A O no hydrogen 2.818 N/A GLU 572.A N VAL 568.A O no hydrogen 2.930 N/A GLU 573.A N ASP 569.A O no hydrogen 3.181 N/A GLU 573.A N TYR 570.A O no hydrogen 2.728 N/A PHE 574.A N TYR 570.A O no hydrogen 2.990 N/A VAL 575.A N MET 571.A O no hydrogen 3.087 N/A LYS 576.A N GLU 573.A O no hydrogen 3.178 N/A LYS 577.A N PHE 574.A O no hydrogen 2.981 N/A THR 578.A N GLN 581.A OE1 no hydrogen 2.598 N/A THR 578.A OG1 GLN 581.A OE1 no hydrogen 2.863 N/A ARG 579.A NH1 ASP 309.A OD1 no hydrogen 2.815 N/A ARG 579.A NH2 ASP 309.A OD1 no hydrogen 3.134 N/A GLN 581.A N THR 578.A OG1 no hydrogen 3.368 N/A ARG 582.A N THR 578.A O no hydrogen 2.785 N/A ILE 583.A N ARG 579.A O no hydrogen 2.985 N/A ASN 584.A N ARG 580.A O no hydrogen 3.174 N/A GLN 585.A N GLN 581.A O no hydrogen 3.154 N/A GLN 585.A NE2 LYS 546.A O no hydrogen 3.147 N/A GLN 585.A NE2 TYR 551.A OH no hydrogen 2.852 N/A ARG 586.A N ARG 582.A O no hydrogen 3.000 N/A ARG 586.A NE GLN 282.A OE1 no hydrogen 2.944 N/A ASN 587.A N ILE 583.A O no hydrogen 2.859 N/A ALA 588.A N ASN 584.A O no hydrogen 3.086 N/A THR 589.A N GLN 585.A O no hydrogen 2.681 N/A GLU 590.A N ARG 586.A O no hydrogen 2.872 N/A ALA 591.A N ASN 587.A O no hydrogen 2.922 N/A LEU 592.A N ALA 588.A O no hydrogen 3.251 N/A SER 593.A N GLU 590.A O no hydrogen 2.846 N/A SER 593.A OG GLU 590.A O no hydrogen 2.622 N/A SER 593.A OG GLU 590.A OE2 no hydrogen 3.479 N/A LEU 595.A N LEU 592.A O no hydrogen 3.250 N/A LEU 596.A N SER 593.A O no hydrogen 2.956 N/A ASP 597.A N ASP 594.A O no hydrogen 3.280 N/A TRP 598.A N LEU 270.A O no hydrogen 2.988 N/A TRP 598.A NE1 SER 29.A OG no hydrogen 2.948 N/A LYS 599.A N ASP 597.A OD1 no hydrogen 2.795 N/A ARG 600.A N ASP 597.A O no hydrogen 2.847 N/A ARG 600.A NH1 TYR 535.A OH no hydrogen 2.895 N/A ARG 600.A NH1 LEU 595.A O no hydrogen 2.951 N/A ARG 600.A NH2 TYR 535.A OH no hydrogen 3.323 N/A MET 601.A N ASP 597.A O no hydrogen 3.106 N/A LEU 603.A N ARG 600.A O no hydrogen 3.428 N/A VAL 606.A N GLY 602.A O no hydrogen 3.423 N/A LYS 607.A N LEU 603.A O no hydrogen 2.893 N/A ALA 608.A N GLU 604.A O no hydrogen 2.886 N/A ARG 609.A N TYR 605.A O no hydrogen 2.936 N/A GLN 610.A N VAL 606.A O no hydrogen 2.798 N/A LEU 611.A N LYS 607.A O no hydrogen 3.303 N/A ALA 612.A N ALA 608.A O no hydrogen 3.414 N/A LEU 613.A N ARG 609.A O no hydrogen 3.005 N/A ARG 614.A N GLN 610.A O no hydrogen 2.815 N/A ARG 614.A NE LEU 629.A O no hydrogen 3.004 N/A ARG 614.A NH1 ARG 614.A O no hydrogen 3.243 N/A ARG 614.A NH2 LEU 629.A O no hydrogen 3.350 N/A ARG 615.A N LEU 611.A O no hydrogen 2.654 N/A ARG 615.A NE ASP 631.A O no hydrogen 3.017 N/A ARG 615.A NH1 ASP 241.A O no hydrogen 3.101 N/A ARG 615.A NH1 ASP 263.A OD1 no hydrogen 2.343 N/A ARG 615.A NH2 ASP 263.A OD1 no hydrogen 2.659 N/A ARG 615.A NH2 ASP 631.A O no hydrogen 2.693 N/A GLY 616.A N ALA 612.A O no hydrogen 2.872 N/A TYR 617.A N LEU 613.A O no hydrogen 2.776 N/A TYR 617.A OH ASP 184.A OD2 no hydrogen 3.319 N/A GLN 620.A N GLN 620.A OE1 no hydrogen 3.049 N/A PHE 621.A N TYR 617.A O no hydrogen 3.005 N/A ARG 622.A N PRO 618.A O no hydrogen 2.808 N/A ARG 622.A NH1 ASP 619.A OD1 no hydrogen 3.553 N/A GLU 623.A N ASP 619.A O no hydrogen 3.117 N/A LEU 624.A N GLN 620.A O no hydrogen 2.885 N/A VAL 625.A N PHE 621.A O no hydrogen 2.942 N/A GLY 626.A N ARG 622.A O no hydrogen 2.776 N/A SER 632.A N ASN 630.A OD1 no hydrogen 3.339 N/A SER 632.A OG ASN 630.A OD1 no hydrogen 2.664 N/A MET 634.A N ASP 263.A O no hydrogen 2.956 N/A ALA 638.A N MET 634.A O no hydrogen 3.383 N/A