Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3al8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 9.A N PHE 434.A O no hydrogen 3.108 N/A SER 10.A N LEU 435.A O no hydrogen 3.284 N/A PHE 18.A N VAL 476.A O no hydrogen 2.881 N/A ILE 27.A N SER 473.A O no hydrogen 3.001 N/A GLN 28.A N ALA 40.A O no hydrogen 2.722 N/A GLN 28.A NE2 ASP 26.A O no hydrogen 2.901 N/A MET 29.A N ALA 40.A O no hydrogen 3.264 N/A MET 31.A N TYR 38.A O no hydrogen 3.078 N/A MET 33.A N THR 36.A O no hydrogen 3.201 N/A ARG 35.A NH1 ASP 462.A OD1 no hydrogen 3.351 N/A ARG 35.A NH1 ASP 462.A OD2 no hydrogen 3.133 N/A ARG 35.A NH2 ASP 51.A OD1 no hydrogen 2.826 N/A ARG 35.A NH2 ASP 462.A OD2 no hydrogen 3.313 N/A THR 36.A N MET 33.A O no hydrogen 2.872 N/A THR 36.A OG1 MET 33.A O no hydrogen 3.303 N/A LEU 37.A N VAL 48.A O no hydrogen 2.971 N/A TYR 38.A N MET 31.A O no hydrogen 2.799 N/A VAL 39.A N TYR 46.A O no hydrogen 2.657 N/A ALA 40.A N MET 29.A O no hydrogen 3.079 N/A ALA 41.A N HIS 44.A O no hydrogen 3.223 N/A ARG 42.A N LEU 25.A O no hydrogen 3.445 N/A ARG 42.A NH1 ARG 24.A O no hydrogen 3.375 N/A ASP 43.A N ASN 88.A O no hydrogen 2.613 N/A HIS 44.A ND1 ARG 42.A O no hydrogen 2.801 N/A TYR 46.A N VAL 39.A O no hydrogen 3.131 N/A THR 47.A N LYS 62.A O no hydrogen 3.230 N/A THR 47.A OG1 LYS 62.A O no hydrogen 2.928 N/A VAL 48.A N LEU 37.A O no hydrogen 2.983 N/A ILE 50.A N ARG 35.A O no hydrogen 3.368 N/A THR 52.A N ASP 49.A O no hydrogen 3.228 N/A HIS 54.A ND1 ILE 50.A O no hydrogen 2.749 N/A GLU 56.A N THR 55.A OG1 no hydrogen 2.377 N/A ILE 58.A N VAL 17.A O no hydrogen 2.994 N/A CYS 60.A SG LYS 62.A O no hydrogen 3.223 N/A SER 61.A N THR 47.A O no hydrogen 2.835 N/A SER 61.A OG ASP 49.A OD1 no hydrogen 2.814 N/A LYS 62.A N THR 47.A OG1 no hydrogen 3.177 N/A TRP 66.A N ASP 43.A O no hydrogen 2.878 N/A SER 68.A OG ASN 107.A OD1 no hydrogen 2.565 N/A ARG 69.A NH2 GLU 127.A OE1 no hydrogen 3.435 N/A GLN 70.A NE2 GLN 70.A O no hydrogen 3.180 N/A GLN 70.A NE2 ASP 74.A OD1 no hydrogen 3.179 N/A VAL 73.A N ARG 69.A O no hydrogen 3.274 N/A ASP 74.A N GLN 70.A O no hydrogen 3.234 N/A THR 75.A N ALA 71.A O no hydrogen 3.318 N/A THR 75.A OG1 ALA 71.A O no hydrogen 3.169 N/A THR 75.A OG1 ASP 72.A O no hydrogen 3.207 N/A CYS 76.A N ASP 72.A O no hydrogen 3.253 N/A ARG 77.A N VAL 73.A O no hydrogen 2.860 N/A ARG 77.A NH1 LYS 81.A O no hydrogen 2.860 N/A MET 78.A N ASP 74.A O no hydrogen 2.848 N/A LYS 79.A N THR 75.A O no hydrogen 3.015 N/A LYS 79.A N CYS 76.A O no hydrogen 2.968 N/A GLY 80.A N ARG 77.A O no hydrogen 2.984 N/A HIS 82.A N GLU 85.A OE1 no hydrogen 3.486 N/A GLU 85.A N HIS 82.A O no hydrogen 3.166 N/A CYS 86.A N HIS 82.A O no hydrogen 3.247 N/A CYS 86.A SG HIS 82.A O no hydrogen 3.500 N/A HIS 87.A ND1 ASP 43.A OD2 no hydrogen 3.072 N/A ASN 88.A N ASP 43.A OD1 no hydrogen 3.315 N/A ASN 88.A ND2 TRP 66.A O no hydrogen 2.924 N/A PHE 89.A N THR 106.A OG1 no hydrogen 2.802 N/A ILE 90.A N ALA 41.A O no hydrogen 2.979 N/A LYS 91.A NZ GLN 28.A OE1 no hydrogen 3.540 N/A LYS 91.A NZ ALA 138.A O no hydrogen 3.205 N/A LYS 91.A NZ HIS 140.A O no hydrogen 3.264 N/A LEU 94.A N PHE 102.A O no hydrogen 2.995 N/A LYS 95.A NZ ASP 98.A OD2 no hydrogen 3.233 N/A LYS 96.A N THR 100.A O no hydrogen 3.028 N/A LYS 96.A NZ ASN 115.A OD1 no hydrogen 3.092 N/A ASP 99.A N ASN 97.A OD1 no hydrogen 2.820 N/A THR 100.A N ASN 97.A OD1 no hydrogen 2.811 N/A THR 100.A OG1 ASN 97.A OD1 no hydrogen 3.357 N/A LEU 101.A N TYR 116.A O no hydrogen 3.072 N/A PHE 102.A N LEU 94.A O no hydrogen 2.726 N/A VAL 103.A N ARG 114.A O no hydrogen 2.997 N/A CYS 104.A N VAL 92.A O no hydrogen 3.213 N/A GLY 105.A N SER 112.A O no hydrogen 3.214 N/A THR 106.A N PHE 89.A O no hydrogen 2.729 N/A THR 106.A OG1 HIS 87.A O no hydrogen 2.771 N/A ASN 107.A ND2 ASP 72.A OD2 no hydrogen 3.047 N/A ASN 107.A ND2 ASN 110.A O no hydrogen 2.990 N/A ALA 108.A N HIS 87.A O no hydrogen 2.773 N/A ASN 110.A N THR 106.A O no hydrogen 2.947 N/A SER 112.A N GLY 105.A O no hydrogen 3.378 N/A CYS 113.A N PHE 128.A O no hydrogen 2.785 N/A CYS 113.A SG SER 129.A O no hydrogen 3.751 N/A ARG 114.A N VAL 103.A O no hydrogen 2.799 N/A ARG 114.A NH1 TYR 116.A OH no hydrogen 3.358 N/A ARG 114.A NH2 GLU 127.A OE1 no hydrogen 3.314 N/A TYR 116.A N LEU 101.A O no hydrogen 2.950 N/A ARG 117.A N GLU 122.A O no hydrogen 3.130 N/A ARG 117.A NH2 ASP 119.A OD2 no hydrogen 3.464 N/A VAL 118.A N ASP 99.A O no hydrogen 3.041 N/A THR 120.A N ASP 119.A OD1 no hydrogen 2.598 N/A THR 120.A OG1 ASP 119.A OD1 no hydrogen 3.001 N/A LEU 121.A N ARG 117.A O no hydrogen 3.108 N/A PHE 124.A N ASN 115.A O no hydrogen 3.124 N/A PHE 128.A N CYS 113.A O no hydrogen 3.030 N/A GLY 130.A N PRO 111.A O no hydrogen 3.040 N/A MET 131.A N SER 129.A OG no hydrogen 3.207 N/A ARG 133.A N GLY 130.A O no hydrogen 3.123 N/A ARG 133.A NE SER 169.A OG no hydrogen 3.119 N/A ARG 133.A NH1 SER 129.A O no hydrogen 2.763 N/A CYS 134.A N GLY 130.A O no hydrogen 2.908 N/A CYS 134.A SG PRO 135.A O no hydrogen 3.562 N/A TYR 136.A OH THR 157.A O no hydrogen 2.760 N/A LYS 139.A N ASP 137.A OD1 no hydrogen 3.234 N/A ASN 142.A ND2 LYS 91.A O no hydrogen 3.053 N/A ILE 143.A N ALA 154.A O no hydrogen 2.903 N/A LEU 145.A N TYR 152.A O no hydrogen 2.898 N/A ALA 147.A N LYS 150.A O no hydrogen 3.103 N/A LYS 150.A N ALA 147.A O no hydrogen 3.400 N/A LYS 150.A NZ SER 173.A OG no hydrogen 3.315 N/A LYS 150.A NZ LYS 228.A O no hydrogen 3.445 N/A LEU 151.A N SER 169.A O no hydrogen 2.944 N/A TYR 152.A N LEU 145.A O no hydrogen 2.854 N/A SER 153.A N TYR 167.A O no hydrogen 2.663 N/A SER 153.A OG ALA 132.A O no hydrogen 2.468 N/A SER 153.A OG TYR 167.A O no hydrogen 3.332 N/A ALA 154.A N ILE 143.A O no hydrogen 2.918 N/A THR 155.A N VAL 165.A O no hydrogen 3.060 N/A THR 157.A N ASP 163.A O no hydrogen 3.010 N/A THR 157.A OG1 ASP 163.A OD2 no hydrogen 2.528 N/A ALA 161.A N ASP 158.A O no hydrogen 3.166 N/A ILE 162.A N ASP 158.A OD2 no hydrogen 3.106 N/A ASP 163.A N ASP 158.A OD1 no hydrogen 3.278 N/A ASP 163.A N ASP 158.A OD2 no hydrogen 3.145 N/A VAL 165.A N THR 155.A O no hydrogen 2.823 N/A TYR 167.A N SER 153.A O no hydrogen 2.445 N/A ARG 168.A N LEU 176.A O no hydrogen 2.807 N/A ARG 168.A NH1 ASP 230.A O no hydrogen 2.861 N/A ARG 168.A NH2 PRO 174.A O no hydrogen 3.156 N/A ARG 168.A NH2 ASP 230.A O no hydrogen 2.860 N/A SER 169.A N LEU 151.A O no hydrogen 3.032 N/A SER 173.A OG GLY 171.A O no hydrogen 3.042 N/A THR 175.A OG1 TYR 167.A OH no hydrogen 2.959 N/A THR 175.A OG1 ARG 168.A O no hydrogen 2.937 N/A LEU 176.A N ARG 168.A O no hydrogen 3.048 N/A ARG 177.A N LYS 240.A O no hydrogen 3.376 N/A ARG 177.A NE THR 178.A O no hydrogen 2.738 N/A ARG 177.A NH2 ASP 163.A OD1 no hydrogen 2.896 N/A ARG 177.A NH2 ASP 163.A OD2 no hydrogen 3.344 N/A ARG 177.A NH2 THR 178.A O no hydrogen 3.531 N/A LYS 184.A N ASP 182.A OD1 no hydrogen 3.387 N/A LYS 184.A NZ THR 363.A O no hydrogen 2.896 N/A TRP 185.A N ASP 182.A O no hydrogen 3.175 N/A TRP 185.A NE1 LYS 362.A O no hydrogen 2.837 N/A LEU 186.A N ASP 182.A O no hydrogen 2.958 N/A TYR 190.A N ARG 206.A O no hydrogen 2.840 N/A VAL 192.A N PHE 204.A O no hydrogen 2.977 N/A GLN 193.A N PHE 204.A O no hydrogen 3.234 N/A GLN 193.A NE2 ASP 270.A OD2 no hydrogen 3.271 N/A VAL 195.A N TYR 202.A O no hydrogen 3.104 N/A TYR 197.A N TYR 200.A O no hydrogen 3.428 N/A TYR 197.A OH ASP 278.A OD2 no hydrogen 2.943 N/A ILE 201.A N VAL 226.A O no hydrogen 2.844 N/A TYR 202.A N VAL 195.A O no hydrogen 3.028 N/A PHE 203.A N ALA 224.A O no hydrogen 2.928 N/A PHE 204.A N GLN 193.A O no hydrogen 2.633 N/A PHE 205.A N ARG 222.A O no hydrogen 3.306 N/A ARG 206.A N TYR 190.A O no hydrogen 3.067 N/A ARG 206.A NH1 LEU 265.A O no hydrogen 2.508 N/A ARG 206.A NH1 GLN 266.A OE1 no hydrogen 3.174 N/A GLU 207.A N PHE 220.A O no hydrogen 2.893 N/A ILE 208.A N LYS 187.A O no hydrogen 3.022 N/A ALA 209.A N VAL 218.A O no hydrogen 2.707 N/A GLU 211.A N GLU 211.A OE1 no hydrogen 2.871 N/A PHE 220.A N GLU 207.A O no hydrogen 2.870 N/A ARG 222.A N PHE 205.A O no hydrogen 2.775 N/A ARG 222.A NE GLU 207.A OE2 no hydrogen 3.176 N/A ARG 222.A NH1 GLU 211.A OE2 no hydrogen 2.734 N/A ARG 222.A NH2 GLU 207.A OE2 no hydrogen 3.197 N/A ARG 222.A NH2 GLU 211.A OE1 no hydrogen 2.882 N/A ARG 222.A NH2 GLU 211.A OE2 no hydrogen 3.289 N/A VAL 223.A N ALA 248.A O no hydrogen 2.891 N/A ALA 224.A N PHE 203.A O no hydrogen 2.923 N/A GLN 225.A N LEU 246.A O no hydrogen 2.908 N/A GLN 225.A NE2 GLY 336.A O no hydrogen 2.866 N/A VAL 226.A N ILE 201.A O no hydrogen 2.941 N/A CYS 227.A N SER 244.A OG no hydrogen 2.600 N/A LYS 228.A N ASP 199.A O no hydrogen 2.939 N/A LYS 228.A NZ ASP 196.A OD1 no hydrogen 2.635 N/A ASN 229.A ND2 ASN 229.A O no hydrogen 2.632 N/A ASP 230.A N CYS 227.A O no hydrogen 2.923 N/A MET 231.A N SER 350.A OG no hydrogen 2.920 N/A GLY 232.A N ASP 230.A OD1 no hydrogen 3.035 N/A GLY 233.A N LEU 238.A O no hydrogen 2.793 N/A GLN 235.A NE2 SER 234.A O no hydrogen 3.400 N/A ARG 236.A N SER 234.A OG no hydrogen 3.202 N/A VAL 237.A N SER 234.A OG no hydrogen 3.379 N/A GLN 241.A N LEU 238.A O no hydrogen 3.049 N/A TRP 242.A N ARG 177.A O no hydrogen 3.337 N/A TRP 242.A NE1 ILE 166.A O no hydrogen 2.860 N/A THR 243.A N ASP 230.A OD1 no hydrogen 3.370 N/A THR 243.A N ASP 230.A OD2 no hydrogen 2.763 N/A THR 243.A OG1 ASP 230.A OD1 no hydrogen 2.588 N/A THR 243.A OG1 ASP 230.A OD2 no hydrogen 3.200 N/A SER 244.A OG ASP 230.A OD2 no hydrogen 2.760 N/A LYS 247.A N PRO 365.A O no hydrogen 2.714 N/A LYS 247.A NZ LYS 184.A O no hydrogen 2.792 N/A LYS 247.A NZ TRP 185.A O no hydrogen 2.781 N/A LYS 247.A NZ GLU 207.A OE1 no hydrogen 3.002 N/A LYS 247.A NZ GLU 207.A OE2 no hydrogen 2.681 N/A ALA 248.A N VAL 223.A O no hydrogen 2.813 N/A LEU 250.A N PRO 221.A O no hydrogen 3.113 N/A ASN 251.A N VAL 371.A O no hydrogen 2.938 N/A SER 253.A OG ASN 251.A OD1 no hydrogen 2.831 N/A VAL 254.A N PHE 260.A O no hydrogen 3.083 N/A PHE 260.A N VAL 254.A O no hydrogen 3.148 N/A PHE 262.A N CYS 252.A O no hydrogen 2.750 N/A ILE 264.A N SER 285.A O no hydrogen 3.000 N/A LEU 265.A N ASN 263.A O no hydrogen 2.947 N/A GLN 266.A N THR 283.A O no hydrogen 3.061 N/A THR 269.A N LEU 281.A O no hydrogen 3.105 N/A THR 269.A OG1 ASP 270.A O no hydrogen 3.067 N/A ILE 272.A N VAL 279.A O no hydrogen 2.743 N/A ARG 273.A NH1 GLY 276.A O no hydrogen 3.501 N/A ILE 274.A N ARG 277.A O no hydrogen 2.960 N/A ARG 277.A N ILE 274.A O no hydrogen 3.028 N/A ARG 277.A NE ASP 300.A OD2 no hydrogen 2.684 N/A ARG 277.A NH2 ASP 300.A OD2 no hydrogen 3.126 N/A VAL 279.A N ILE 272.A O no hydrogen 2.701 N/A VAL 280.A N TYR 299.A O no hydrogen 2.861 N/A LEU 281.A N THR 269.A OG1 no hydrogen 3.014 N/A ALA 282.A N CYS 297.A O no hydrogen 2.794 N/A THR 283.A N ALA 267.A O no hydrogen 3.051 N/A THR 283.A OG1 THR 390.A O no hydrogen 2.849 N/A PHE 284.A N ALA 295.A O no hydrogen 2.815 N/A SER 285.A OG THR 286.A O no hydrogen 3.161 N/A THR 286.A N GLY 293.A O no hydrogen 2.917 N/A THR 286.A OG1 ILE 291.A O no hydrogen 3.081 N/A THR 286.A OG1 GLY 293.A O no hydrogen 2.899 N/A SER 290.A OG PRO 287.A O no hydrogen 2.358 N/A GLY 293.A N THR 286.A OG1 no hydrogen 2.642 N/A SER 294.A N ARG 382.A O no hydrogen 2.862 N/A ALA 295.A N PHE 284.A O no hydrogen 3.302 N/A VAL 296.A N PHE 380.A O no hydrogen 3.111 N/A CYS 297.A N ALA 282.A O no hydrogen 2.770 N/A TYR 299.A N VAL 280.A O no hydrogen 2.779 N/A TYR 299.A OH ASN 251.A O no hydrogen 2.998 N/A MET 301.A N ASP 278.A O no hydrogen 2.724 N/A LEU 302.A N ASP 300.A OD1 no hydrogen 3.073 N/A ASP 303.A N ASP 300.A O no hydrogen 2.822 N/A ILE 304.A N ASP 300.A O no hydrogen 3.170 N/A ALA 305.A N MET 301.A O no hydrogen 3.264 N/A ASN 306.A N LEU 302.A O no hydrogen 2.764 N/A VAL 307.A N ASP 303.A O no hydrogen 3.115 N/A VAL 307.A N ILE 304.A O no hydrogen 3.316 N/A PHE 308.A N ALA 305.A O no hydrogen 3.119 N/A THR 309.A N ASN 306.A O no hydrogen 3.393 N/A THR 309.A OG1 ASN 306.A O no hydrogen 2.605 N/A GLY 310.A N VAL 307.A O no hydrogen 3.282 N/A LYS 313.A N LEU 366.A O no hydrogen 2.889 N/A LYS 313.A NZ ASP 368.A OD1 no hydrogen 2.802 N/A GLU 314.A N THR 323.A O no hydrogen 3.042 N/A SER 320.A N SER 317.A O no hydrogen 2.641 N/A SER 320.A OG SER 317.A O no hydrogen 2.799 N/A THR 323.A N GLU 314.A O no hydrogen 3.106 N/A THR 323.A OG1 PRO 324.A O no hydrogen 3.094 N/A VAL 325.A N PHE 312.A O no hydrogen 3.055 N/A ARG 329.A N PRO 326.A O no hydrogen 3.071 N/A ARG 329.A NH2 GLU 314.A OE1 no hydrogen 3.293 N/A ARG 334.A NH1 GLY 310.A O no hydrogen 3.413 N/A ARG 334.A NH2 PHE 308.A O no hydrogen 3.026 N/A ARG 334.A NH2 GLY 310.A O no hydrogen 2.788 N/A CYS 337.A N ARG 334.A O no hydrogen 3.122 N/A CYS 338.A SG ASP 199.A O no hydrogen 3.738 N/A CYS 338.A SG ASN 229.A OD1 no hydrogen 3.501 N/A GLY 340.A N LEU 344.A O no hydrogen 2.827 N/A SER 341.A OG CYS 338.A O no hydrogen 3.284 N/A SER 343.A OG SER 342.A O no hydrogen 2.489 N/A TYR 347.A N LEU 344.A O no hydrogen 3.336 N/A THR 349.A N GLU 352.A OE1 no hydrogen 2.753 N/A THR 349.A OG1 ASN 351.A OD1 no hydrogen 3.482 N/A SER 350.A OG GLY 232.A O no hydrogen 2.874 N/A GLU 352.A N THR 349.A O no hydrogen 3.035 N/A PHE 353.A N SER 350.A O no hydrogen 3.294 N/A THR 357.A OG1 PRO 333.A O no hydrogen 2.898 N/A LEU 358.A N PRO 354.A O no hydrogen 3.408 N/A ASN 359.A N ASP 355.A O no hydrogen 2.864 N/A PHE 360.A N ASP 356.A O no hydrogen 3.248 N/A PHE 360.A N THR 357.A O no hydrogen 3.196 N/A ILE 361.A N THR 357.A O no hydrogen 3.040 N/A LYS 362.A N LEU 358.A O no hydrogen 3.038 N/A THR 363.A N PHE 360.A O no hydrogen 2.776 N/A THR 363.A OG1 ASN 359.A O no hydrogen 2.920 N/A HIS 364.A N PHE 360.A O no hydrogen 2.776 N/A HIS 364.A ND1 PHE 360.A O no hydrogen 2.973 N/A MET 367.A N LYS 247.A O no hydrogen 3.029 N/A ASP 368.A N ARG 311.A O no hydrogen 2.737 N/A SER 373.A OG ARG 377.A O no hydrogen 3.531 N/A ILE 374.A N ALA 298.A O no hydrogen 2.822 N/A ASN 376.A N SER 373.A O no hydrogen 3.106 N/A TRP 379.A N VAL 296.A O no hydrogen 2.713 N/A TRP 379.A NE1 ILE 374.A O no hydrogen 3.041 N/A ARG 382.A N SER 294.A O no hydrogen 3.038 N/A ARG 382.A NE LEU 381.A O no hydrogen 2.516 N/A ARG 382.A NH1 SER 6.A O no hydrogen 3.167 N/A ARG 382.A NH1 LEU 381.A O no hydrogen 3.193 N/A ARG 382.A NH2 SER 6.A O no hydrogen 3.154 N/A THR 383.A N ASP 5.A OD2 no hydrogen 2.698 N/A THR 383.A OG1 ASP 5.A OD2 no hydrogen 3.131 N/A MET 384.A N ASP 5.A OD1 no hydrogen 3.275 N/A LEU 389.A N SER 294.A OG no hydrogen 3.277 N/A THR 390.A N GLY 410.A O no hydrogen 2.676 N/A THR 390.A OG1 GLY 410.A O no hydrogen 3.333 N/A ALA 393.A N PHE 408.A O no hydrogen 2.967 N/A ASP 395.A N VAL 406.A O no hydrogen 2.791 N/A ASN 396.A ND2 ARG 273.A O no hydrogen 3.618 N/A ALA 398.A N HIS 404.A O no hydrogen 3.064 N/A HIS 404.A NE2 GLU 527.A OE2 no hydrogen 2.981 N/A VAL 406.A N ASP 395.A O no hydrogen 3.268 N/A VAL 407.A N PHE 419.A O no hydrogen 2.848 N/A PHE 408.A N ALA 393.A O no hydrogen 2.676 N/A LEU 409.A N LEU 417.A O no hydrogen 2.676 N/A GLY 410.A N LYS 391.A O no hydrogen 2.678 N/A SER 411.A OG ILE 415.A O no hydrogen 2.700 N/A LYS 413.A N SER 411.A OG no hydrogen 3.214 N/A ILE 416.A N MET 438.A O no hydrogen 2.739 N/A LEU 417.A N LEU 409.A O no hydrogen 2.822 N/A LYS 418.A N GLU 436.A O no hydrogen 2.905 N/A LYS 418.A NZ LEU 481.A O no hydrogen 3.176 N/A LYS 418.A NZ ASP 499.A OD1 no hydrogen 2.924 N/A LYS 418.A NZ ASP 499.A OD2 no hydrogen 3.133 N/A PHE 419.A N VAL 407.A O no hydrogen 3.018 N/A LEU 420.A N LEU 433.A O no hydrogen 3.049 N/A ALA 421.A N THR 405.A O no hydrogen 2.884 N/A GLY 424.A N PHE 428.A O no hydrogen 2.887 N/A GLY 427.A N GLY 424.A O no hydrogen 3.276 N/A ASN 430.A N ARG 422.A O no hydrogen 3.014 N/A SER 432.A OG TRP 379.A O no hydrogen 2.547 N/A LEU 435.A N LYS 418.A O no hydrogen 2.986 N/A GLU 436.A N LYS 418.A O no hydrogen 3.141 N/A MET 438.A N ILE 416.A O no hydrogen 3.063 N/A TYR 441.A OH SER 447.A OG no hydrogen 2.775 N/A LYS 445.A N ASN 442.A O no hydrogen 3.047 N/A CYS 446.A N ASN 442.A O no hydrogen 2.782 N/A SER 447.A OG TYR 441.A OH no hydrogen 2.775 N/A SER 447.A OG PRO 443.A O no hydrogen 3.302 N/A SER 447.A OG GLU 452.A OE2 no hydrogen 2.900 N/A TYR 448.A OH THR 474.A O no hydrogen 2.866 N/A ARG 455.A NE ASP 453.A OD1 no hydrogen 2.764 N/A ARG 455.A NE ASP 453.A OD2 no hydrogen 3.336 N/A ARG 455.A NH2 ASP 453.A OD2 no hydrogen 3.278 N/A MET 457.A N ALA 471.A O no hydrogen 2.655 N/A GLN 460.A N TYR 469.A O no hydrogen 2.831 N/A ASP 462.A N SER 467.A O no hydrogen 2.622 N/A ARG 463.A NH2 ASN 396.A OD1 no hydrogen 3.537 N/A SER 465.A OG ASP 462.A O no hydrogen 3.016 N/A SER 465.A OG ASP 462.A OD2 no hydrogen 3.030 N/A GLY 466.A N ARG 463.A O no hydrogen 2.790 N/A SER 467.A N ASP 462.A O no hydrogen 2.832 N/A LEU 468.A N VAL 479.A O no hydrogen 2.536 N/A TYR 469.A N GLN 460.A O no hydrogen 2.588 N/A VAL 470.A N ILE 477.A O no hydrogen 2.843 N/A ALA 471.A N GLY 458.A O no hydrogen 2.776 N/A PHE 472.A N CYS 475.A O no hydrogen 2.918 N/A SER 473.A OG ASP 453.A OD2 no hydrogen 3.519 N/A THR 474.A OG1 CYS 446.A O no hydrogen 3.252 N/A CYS 475.A N PHE 472.A O no hydrogen 3.340 N/A VAL 476.A N PHE 18.A O no hydrogen 3.266 N/A ILE 477.A N VAL 470.A O no hydrogen 2.845 N/A LYS 478.A N PRO 16.A O no hydrogen 3.079 N/A LYS 478.A NZ HIS 54.A ND1 no hydrogen 3.494 N/A VAL 479.A N LEU 468.A O no hydrogen 2.817 N/A LEU 481.A N GLY 466.A O no hydrogen 3.305 N/A CYS 484.A SG GLY 482.A O no hydrogen 3.871 N/A CYS 484.A SG TYR 501.A O no hydrogen 3.428 N/A HIS 487.A N CYS 484.A O no hydrogen 3.170 N/A LYS 491.A NZ GLU 523.A OE1 no hydrogen 2.705 N/A LYS 491.A NZ GLU 523.A OE2 no hydrogen 3.558 N/A LYS 492.A NZ ASP 536.A OD1 no hydrogen 2.922 N/A CYS 494.A SG GLY 503.A O no hydrogen 3.344 N/A SER 497.A N THR 493.A O no hydrogen 3.248 N/A SER 497.A OG CYS 494.A O no hydrogen 3.423 N/A ARG 498.A N ILE 495.A O no hydrogen 3.234 N/A ARG 498.A NE ILE 526.A O no hydrogen 3.301 N/A ASP 499.A N SER 497.A OG no hydrogen 3.315 N/A TYR 501.A OH ASP 395.A OD2 no hydrogen 2.279 N/A CYS 502.A N ASP 499.A O no hydrogen 2.794 N/A CYS 502.A SG ASP 499.A OD2 no hydrogen 3.784 N/A TRP 504.A N GLU 523.A O no hydrogen 2.783 N/A ARG 506.A NE GLU 523.A OE1 no hydrogen 3.221 N/A ARG 506.A NH2 GLU 523.A OE1 no hydrogen 2.879 N/A SER 508.A OG VAL 505.A O no hydrogen 3.402 N/A GLY 509.A N VAL 505.A O no hydrogen 3.235 N/A CYS 511.A N GLY 488.A O no hydrogen 3.303 N/A CYS 511.A SG GLY 503.A O no hydrogen 3.341 N/A ALA 512.A N GLY 503.A O no hydrogen 3.286 N/A ARG 519.A N LEU 517.A O no hydrogen 2.934 N/A THR 521.A OG1 GLU 507.A OE1 no hydrogen 2.931 N/A GLU 523.A N TRP 504.A O no hydrogen 2.737 N/A GLU 527.A N GLU 527.A OE1 no hydrogen 2.671 N/A ARG 528.A N ASP 525.A OD1 no hydrogen 2.944 N/A GLY 529.A N ASP 525.A OD1 no hydrogen 2.813 N/A ASN 530.A N ASP 525.A OD2 no hydrogen 3.173 N/A ASN 530.A ND2 ASP 532.A OD2 no hydrogen 3.430 N/A CYS 537.A N ASP 536.A OD1 no hydrogen 3.033 N/A