Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kzc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N GLU 3.A O no hydrogen 3.136 N/A GLN 8.A N SER 4.A O no hydrogen 3.370 N/A ARG 9.A N GLN 5.A O no hydrogen 3.229 N/A GLN 10.A N ALA 6.A O no hydrogen 3.081 N/A LEU 11.A N PHE 7.A O no hydrogen 2.944 N/A THR 12.A N GLN 8.A O no hydrogen 3.064 N/A THR 12.A OG1 GLN 8.A O no hydrogen 2.910 N/A LEU 14.A N GLN 10.A O no hydrogen 3.397 N/A ILE 15.A N LEU 11.A O no hydrogen 2.885 N/A ILE 15.A N THR 12.A O no hydrogen 3.154 N/A GLY 16.A N THR 12.A O no hydrogen 2.787 N/A ASP 21.A N ASP 18.A O no hydrogen 3.474 N/A SER 23.A N ASP 21.A OD1 no hydrogen 3.036 N/A SER 23.A OG ASP 21.A OD1 no hydrogen 2.773 N/A ASN 24.A ND2 THR 269.A O no hydrogen 2.784 N/A PHE 32.A N ASP 28.A O no hydrogen 2.830 N/A THR 33.A N GLU 29.A O no hydrogen 2.848 N/A THR 33.A OG1 GLU 29.A O no hydrogen 2.685 N/A ARG 34.A N LEU 30.A O no hydrogen 2.845 N/A ARG 34.A NE GLU 460.A OE1 no hydrogen 3.174 N/A ARG 34.A NH1 GLU 31.A OE2 no hydrogen 3.085 N/A ARG 35.A N GLU 31.A O no hydrogen 3.062 N/A GLY 36.A N PHE 32.A O no hydrogen 2.802 N/A LEU 37.A N THR 33.A O no hydrogen 3.038 N/A VAL 38.A N ARG 35.A O no hydrogen 3.329 N/A ARG 41.A N LEU 37.A O no hydrogen 3.174 N/A MET 42.A N VAL 38.A O no hydrogen 3.106 N/A ALA 43.A N THR 39.A O no hydrogen 2.973 N/A GLU 44.A N PRO 40.A O no hydrogen 3.175 N/A VAL 45.A N ARG 41.A O no hydrogen 2.953 N/A ALA 46.A N MET 42.A O no hydrogen 3.041 N/A SER 47.A N ALA 43.A O no hydrogen 3.145 N/A SER 47.A OG ALA 43.A O no hydrogen 2.892 N/A ARG 48.A N GLU 44.A O no hydrogen 3.154 N/A ARG 48.A NH1 LEU 428.A O no hydrogen 3.015 N/A ARG 48.A NH1 GLY 465.A O no hydrogen 2.942 N/A ARG 48.A NH2 GLY 465.A O no hydrogen 3.122 N/A LEU 52.A N ASP 49.A OD1 no hydrogen 2.821 N/A TYR 53.A N ASP 49.A O no hydrogen 3.174 N/A TYR 53.A OH CYS 466.A O no hydrogen 2.712 N/A ALA 54.A N PRO 50.A O no hydrogen 3.363 N/A HIS 56.A N LEU 52.A O no hydrogen 2.841 N/A TRP 58.A NE1 ASP 396.A OD1 no hydrogen 3.172 N/A THR 60.A N ASN 123.A O no hydrogen 2.907 N/A THR 60.A OG1 ASP 396.A OD2 no hydrogen 3.488 N/A SER 61.A N GLU 394.A OE2 no hydrogen 2.807 N/A SER 61.A OG GLU 394.A OE1 no hydrogen 3.082 N/A SER 61.A OG GLU 394.A OE2 no hydrogen 3.336 N/A LYS 62.A N THR 60.A OG1 no hydrogen 3.355 N/A LEU 68.A N PRO 65.A O no hydrogen 3.181 N/A TRP 69.A N PRO 65.A O no hydrogen 2.810 N/A CYS 72.A SG ASN 71.A OD1 no hydrogen 3.858 N/A ILE 73.A N VAL 88.A O no hydrogen 2.792 N/A ILE 75.A N ILE 86.A O no hydrogen 3.199 N/A VAL 76.A N ILE 137.A O no hydrogen 2.932 N/A HIS 78.A N VAL 139.A O no hydrogen 2.789 N/A HIS 78.A ND1 VAL 76.A O no hydrogen 3.211 N/A SER 80.A OG ARG 79.A O no hydrogen 2.781 N/A THR 82.A N ARG 79.A O no hydrogen 2.802 N/A THR 82.A OG1 ARG 79.A O no hydrogen 2.627 N/A ILE 86.A N ILE 75.A O no hydrogen 2.966 N/A VAL 88.A N ILE 73.A O no hydrogen 3.243 N/A SER 89.A OG ASP 91.A O no hydrogen 3.107 N/A ALA 96.A N THR 93.A O no hydrogen 2.863 N/A ILE 97.A N THR 93.A O no hydrogen 2.973 N/A ILE 97.A N PRO 94.A O no hydrogen 3.240 N/A VAL 105.A N ASP 142.A O no hydrogen 2.768 N/A ARG 107.A N VAL 140.A O no hydrogen 2.879 N/A ARG 107.A NE ARG 111.A O no hydrogen 2.891 N/A VAL 108.A N GLU 113.A O no hydrogen 3.050 N/A CYS 109.A N HIS 138.A O no hydrogen 3.375 N/A GLY 110.A N THR 563.A OG1 no hydrogen 2.811 N/A ARG 111.A NH1 ASP 530.A OD1 no hydrogen 3.032 N/A ARG 111.A NH1 ASP 530.A OD2 no hydrogen 2.715 N/A ARG 111.A NH2 ASP 530.A OD2 no hydrogen 3.286 N/A ASP 112.A N GLY 532.A O no hydrogen 3.118 N/A LEU 115.A N LEU 106.A O no hydrogen 3.280 N/A ILE 121.A N ASP 92.A O no hydrogen 3.095 N/A LYS 122.A N PRO 90.A O no hydrogen 3.260 N/A ASN 123.A N PRO 120.A O no hydrogen 3.150 N/A PHE 124.A N ILE 121.A O no hydrogen 3.193 N/A GLN 125.A N TRP 58.A O no hydrogen 3.209 N/A ARG 128.A N PHE 124.A O no hydrogen 3.251 N/A ARG 128.A NE LYS 122.A O no hydrogen 2.753 N/A ARG 128.A NH1 LYS 62.A O no hydrogen 2.994 N/A ARG 128.A NH1 PRO 63.A O no hydrogen 3.077 N/A ARG 128.A NH2 LYS 62.A O no hydrogen 2.757 N/A ARG 128.A NH2 LYS 122.A O no hydrogen 3.305 N/A HIS 129.A N GLN 125.A O no hydrogen 3.315 N/A CYS 130.A N TRP 126.A O no hydrogen 3.143 N/A CYS 130.A SG TRP 126.A O no hydrogen 3.338 N/A LEU 131.A N VAL 127.A O no hydrogen 3.253 N/A LYS 132.A N ARG 128.A O no hydrogen 3.180 N/A ASN 133.A N HIS 129.A O no hydrogen 3.294 N/A GLY 134.A N CYS 130.A O no hydrogen 3.222 N/A GLU 135.A N CYS 130.A O no hydrogen 2.759 N/A VAL 139.A N VAL 76.A O no hydrogen 2.851 N/A VAL 140.A N ARG 107.A O no hydrogen 2.756 N/A LEU 141.A N HIS 78.A O no hydrogen 2.731 N/A ASP 142.A N VAL 105.A O no hydrogen 2.858 N/A LEU 149.A N ASP 146.A O no hydrogen 3.158 N/A ASP 150.A N PRO 147.A O no hydrogen 3.276 N/A GLU 151.A N ALA 148.A O no hydrogen 3.365 N/A ARG 153.A NH2 SER 4.A OG no hydrogen 2.965 N/A PHE 160.A N ILE 211.A O no hydrogen 2.786 N/A ARG 161.A N ASN 285.A OD1 no hydrogen 3.300 N/A VAL 162.A N LEU 207.A O no hydrogen 3.050 N/A LYS 163.A N LEU 282.A O no hydrogen 2.952 N/A ILE 164.A N VAL 205.A O no hydrogen 2.868 N/A ARG 165.A N SER 280.A O no hydrogen 3.086 N/A ILE 167.A N VAL 201.A O no hydrogen 2.821 N/A ASP 168.A N SER 278.A O no hydrogen 3.140 N/A ILE 169.A N GLU 199.A O no hydrogen 3.055 N/A VAL 174.A N LYS 195.A O no hydrogen 2.983 N/A VAL 176.A N THR 192.A OG1 no hydrogen 2.835 N/A GLU 177.A N GLN 225.A O no hydrogen 2.808 N/A ALA 178.A N ARG 190.A O no hydrogen 2.907 N/A ASN 179.A N ASN 223.A O no hydrogen 2.904 N/A ASN 179.A ND2 GLU 177.A OE1 no hydrogen 3.034 N/A ASN 179.A ND2 ASN 223.A O no hydrogen 3.576 N/A ASN 179.A ND2 ASN 223.A OD1 no hydrogen 3.291 N/A ILE 180.A N CYS 188.A O no hydrogen 3.074 N/A GLN 181.A N LEU 221.A O no hydrogen 2.914 N/A HIS 182.A N GLN 185.A O no hydrogen 3.052 N/A GLY 183.A N SER 378.A OG no hydrogen 2.905 N/A LEU 187.A N ILE 180.A O no hydrogen 2.798 N/A CYS 188.A SG SER 210.A OG no hydrogen 3.011 N/A ARG 190.A N ALA 178.A O no hydrogen 3.140 N/A ARG 190.A NE GLU 208.A O no hydrogen 3.309 N/A ARG 190.A NH1 GLN 189.A O no hydrogen 2.832 N/A THR 192.A N VAL 176.A O no hydrogen 2.927 N/A THR 192.A OG1 VAL 176.A O no hydrogen 3.445 N/A LYS 195.A N VAL 174.A O no hydrogen 3.106 N/A LYS 195.A NZ LEU 202.A O no hydrogen 3.196 N/A PHE 197.A N LEU 172.A O no hydrogen 3.112 N/A GLU 199.A N THR 198.A OG1 no hydrogen 2.790 N/A VAL 201.A N ILE 167.A O no hydrogen 3.017 N/A TRP 203.A N ARG 165.A O no hydrogen 3.086 N/A TRP 203.A NE1 SER 193.A O no hydrogen 3.110 N/A VAL 205.A N ILE 164.A O no hydrogen 3.180 N/A LEU 207.A N VAL 162.A O no hydrogen 2.771 N/A PHE 209.A N PHE 160.A O no hydrogen 2.779 N/A LYS 212.A NZ ASP 157.A OD1 no hydrogen 3.329 N/A ILE 213.A N ARG 158.A O no hydrogen 3.022 N/A LEU 216.A N ILE 213.A O no hydrogen 3.446 N/A ALA 220.A N PRO 217.A O no hydrogen 3.178 N/A LEU 221.A N GLN 181.A O no hydrogen 2.822 N/A LEU 222.A N LEU 237.A O no hydrogen 2.820 N/A ASN 223.A N ASN 179.A O no hydrogen 2.794 N/A ASN 223.A ND2 ASN 236.A OD1 no hydrogen 3.179 N/A LEU 224.A N VAL 235.A O no hydrogen 2.806 N/A GLN 225.A N GLU 177.A O no hydrogen 2.934 N/A ILE 226.A N TYR 233.A O no hydrogen 2.893 N/A TYR 227.A N PHE 175.A O no hydrogen 3.103 N/A TYR 227.A OH GLU 177.A OE1 no hydrogen 2.915 N/A TYR 227.A OH GLN 225.A OE1 no hydrogen 2.754 N/A CYS 228.A N ARG 230.A O no hydrogen 2.739 N/A LEU 232.A N ILE 226.A O no hydrogen 2.820 N/A TYR 234.A N TRP 256.A O no hydrogen 2.944 N/A TYR 234.A OH ASP 263.A O no hydrogen 3.008 N/A VAL 235.A N LEU 224.A O no hydrogen 3.059 N/A ASN 236.A ND2 LYS 264.A O no hydrogen 3.290 N/A ASN 236.A ND2 THR 266.A O no hydrogen 2.797 N/A LEU 237.A N LEU 222.A O no hydrogen 3.206 N/A LEU 239.A N ALA 220.A O no hydrogen 3.107 N/A ASP 241.A N LEU 245.A O no hydrogen 2.993 N/A HIS 242.A NE2 ASP 28.A OD1 no hydrogen 3.152 N/A ARG 243.A N ASP 241.A OD1 no hydrogen 3.162 N/A ARG 243.A NH1 ASP 28.A OD1 no hydrogen 2.810 N/A ARG 243.A NH1 ASP 28.A OD2 no hydrogen 2.871 N/A ARG 243.A NH2 ASP 28.A OD2 no hydrogen 2.807 N/A PHE 244.A N ASP 241.A O no hydrogen 3.229 N/A LEU 245.A N ASP 241.A OD1 no hydrogen 3.049 N/A ARG 247.A N LEU 239.A O no hydrogen 2.952 N/A ARG 247.A NE LEU 238.A O no hydrogen 2.803 N/A ARG 247.A NH2 ASP 27.A OD2 no hydrogen 2.945 N/A GLY 249.A N LEU 283.A O no hydrogen 2.784 N/A TYR 251.A N ILE 281.A O no hydrogen 3.197 N/A LEU 253.A N ILE 279.A O no hydrogen 3.081 N/A MET 255.A N MET 277.A O no hydrogen 2.806 N/A TRP 256.A N TYR 234.A O no hydrogen 2.896 N/A TRP 256.A NE1 ALA 268.A O no hydrogen 2.778 N/A GLN 257.A NE2 ILE 258.A O no hydrogen 2.877 N/A ILE 258.A N LEU 232.A O no hydrogen 3.184 N/A ALA 262.A N MET 765.A O no hydrogen 2.980 N/A ASP 263.A N ASN 261.A OD1 no hydrogen 3.352 N/A LYS 264.A N ASN 261.A O no hydrogen 3.353 N/A LEU 265.A N ALA 262.A O no hydrogen 2.879 N/A THR 266.A OG1 HIS 450.A O no hydrogen 2.683 N/A ALA 268.A N THR 266.A OG1 no hydrogen 3.145 N/A THR 269.A OG1 ASN 24.A OD1 no hydrogen 3.301 N/A ASN 270.A N HIS 254.A O no hydrogen 2.789 N/A ASN 270.A ND2 MET 255.A O no hydrogen 3.282 N/A ASP 272.A N ASN 270.A OD1 no hydrogen 3.063 N/A LYS 273.A NZ SER 23.A O no hydrogen 3.180 N/A SER 276.A N ASP 272.A O no hydrogen 3.105 N/A SER 276.A OG ASP 272.A O no hydrogen 2.728 N/A SER 278.A N ASP 168.A O no hydrogen 2.979 N/A ILE 279.A N LEU 253.A O no hydrogen 2.864 N/A SER 280.A N GLY 166.A O no hydrogen 3.128 N/A ILE 281.A N TYR 251.A O no hydrogen 3.078 N/A LEU 282.A N LYS 163.A O no hydrogen 2.772 N/A LEU 283.A N GLY 249.A O no hydrogen 3.147 N/A ASN 285.A ND2 ARG 161.A O no hydrogen 3.033 N/A ARG 294.A N PRO 290.A O no hydrogen 2.907 N/A LYS 295.A N ASN 291.A O no hydrogen 2.926 N/A GLN 296.A N GLN 292.A O no hydrogen 2.904 N/A LEU 297.A N LEU 293.A O no hydrogen 3.146 N/A GLU 298.A N ARG 294.A O no hydrogen 3.259 N/A ALA 299.A N LYS 295.A O no hydrogen 3.249 N/A ILE 300.A N GLN 296.A O no hydrogen 3.284 N/A ILE 301.A N LEU 297.A O no hydrogen 2.803 N/A ALA 302.A N GLU 298.A O no hydrogen 3.239 N/A THR 303.A N ILE 300.A O no hydrogen 3.278 N/A THR 303.A OG1 ILE 300.A O no hydrogen 2.678 N/A LEU 306.A N ASP 304.A OD2 no hydrogen 3.271 N/A THR 310.A N ASP 313.A OD2 no hydrogen 3.175 N/A LYS 314.A N THR 310.A O no hydrogen 2.946 N/A LYS 314.A NZ SER 336.A O no hydrogen 2.828 N/A GLU 315.A N ALA 311.A O no hydrogen 2.945 N/A LEU 316.A N GLU 312.A O no hydrogen 3.293 N/A LEU 317.A N ASP 313.A O no hydrogen 2.941 N/A TRP 318.A N LYS 314.A O no hydrogen 3.076 N/A HIS 319.A N GLU 315.A O no hydrogen 3.099 N/A PHE 320.A N LEU 316.A O no hydrogen 3.004 N/A ARG 321.A NH1 TRP 318.A O no hydrogen 2.794 N/A GLU 323.A N PHE 320.A O no hydrogen 3.268 N/A SER 324.A N PHE 320.A O no hydrogen 2.951 N/A SER 324.A OG LEU 317.A O no hydrogen 3.529 N/A SER 324.A OG PHE 320.A O no hydrogen 2.825 N/A LEU 325.A N ARG 321.A O no hydrogen 2.984 N/A LYS 326.A N GLU 323.A O no hydrogen 3.361 N/A HIS 327.A N SER 324.A O no hydrogen 3.027 N/A ALA 330.A N HIS 327.A O no hydrogen 3.165 N/A TYR 331.A N PRO 328.A O no hydrogen 3.262 N/A TYR 331.A OH LEU 325.A O no hydrogen 3.200 N/A LYS 333.A NZ THR 303.A O no hydrogen 2.799 N/A LYS 333.A NZ THR 303.A OG1 no hydrogen 3.393 N/A LYS 333.A NZ ASP 304.A O no hydrogen 3.213 N/A LEU 334.A N ALA 330.A O no hydrogen 2.795 N/A PHE 335.A N TYR 331.A O no hydrogen 3.068 N/A SER 336.A N LYS 333.A O no hydrogen 3.298 N/A SER 336.A OG PRO 332.A O no hydrogen 2.724 N/A SER 337.A N LEU 334.A O no hydrogen 3.192 N/A SER 337.A OG LYS 333.A O no hydrogen 2.828 N/A TRP 340.A NE1 PHE 335.A O no hydrogen 3.162 N/A GLN 342.A N LYS 339.A O no hydrogen 3.355 N/A GLN 343.A N ASP 215.A OD1 no hydrogen 3.282 N/A VAL 346.A N GLN 342.A O no hydrogen 3.081 N/A ALA 347.A N GLN 343.A O no hydrogen 2.898 N/A LYS 348.A N GLU 344.A O no hydrogen 3.215 N/A LYS 348.A N ILE 345.A O no hydrogen 3.072 N/A THR 349.A N ILE 345.A O no hydrogen 3.156 N/A THR 349.A OG1 VAL 346.A O no hydrogen 2.695 N/A TYR 350.A N VAL 346.A O no hydrogen 3.173 N/A TYR 350.A OH ASP 379.A OD1 no hydrogen 2.768 N/A GLN 351.A N ALA 347.A O no hydrogen 3.383 N/A LEU 352.A N LYS 348.A O no hydrogen 2.971 N/A LEU 353.A N THR 349.A O no hydrogen 2.793 N/A ALA 354.A N TYR 350.A O no hydrogen 3.118 N/A TRP 359.A N ARG 356.A O no hydrogen 2.864 N/A TRP 359.A NE1 ILE 385.A O no hydrogen 3.124 N/A GLN 361.A N GLU 357.A O no hydrogen 3.164 N/A GLN 361.A N VAL 358.A O no hydrogen 3.066 N/A SER 362.A N TRP 359.A O no hydrogen 3.368 N/A SER 362.A OG VAL 358.A O no hydrogen 2.644 N/A SER 362.A OG TRP 359.A O no hydrogen 3.137 N/A LEU 368.A N ASP 365.A OD1 no hydrogen 2.949 N/A THR 369.A N ASP 365.A O no hydrogen 2.937 N/A THR 369.A OG1 ASP 365.A O no hydrogen 2.684 N/A MET 370.A N VAL 366.A O no hydrogen 2.900 N/A LEU 372.A N THR 369.A O no hydrogen 3.269 N/A LEU 373.A N MET 370.A O no hydrogen 2.884 N/A CYS 375.A SG ASN 376.A OD1 no hydrogen 3.442 N/A ASN 376.A N ASP 374.A OD1 no hydrogen 3.005 N/A PHE 377.A N ASP 374.A O no hydrogen 3.412 N/A VAL 382.A N ASP 379.A OD2 no hydrogen 2.977 N/A ARG 383.A N ASP 379.A O no hydrogen 3.028 N/A ARG 383.A NH1 LEU 373.A O no hydrogen 3.021 N/A ARG 383.A NH2 ASP 374.A O no hydrogen 2.966 N/A ARG 383.A NH2 PHE 377.A O no hydrogen 2.897 N/A ALA 384.A N GLU 380.A O no hydrogen 3.001 N/A ILE 385.A N ASN 381.A O no hydrogen 3.392 N/A ALA 386.A N ARG 383.A O no hydrogen 3.063 N/A VAL 387.A N ARG 383.A O no hydrogen 3.228 N/A GLN 388.A N ALA 384.A O no hydrogen 2.988 N/A GLN 388.A NE2 ASP 360.A OD1 no hydrogen 2.879 N/A LYS 389.A N ALA 386.A O no hydrogen 2.918 N/A LYS 389.A NZ TRP 359.A O no hydrogen 3.384 N/A LYS 389.A NZ ASP 360.A O no hydrogen 3.483 N/A LYS 389.A NZ SER 362.A O no hydrogen 2.789 N/A LEU 390.A N ALA 386.A O no hydrogen 3.286 N/A LEU 390.A N VAL 387.A O no hydrogen 3.018 N/A SER 392.A OG LYS 389.A O no hydrogen 2.754 N/A LEU 393.A N LEU 390.A O no hydrogen 3.232 N/A ASP 397.A N GLU 394.A O no hydrogen 2.793 N/A VAL 398.A N GLU 394.A O no hydrogen 3.170 N/A LEU 399.A N ASP 395.A O no hydrogen 3.142 N/A TYR 401.A N VAL 398.A O no hydrogen 3.253 N/A GLN 404.A NE2 LEU 759.A O no hydrogen 3.650 N/A LEU 405.A N TYR 401.A O no hydrogen 2.743 N/A VAL 406.A N LEU 402.A O no hydrogen 2.793 N/A GLN 407.A N LEU 403.A O no hydrogen 3.079 N/A GLN 407.A NE2 GLU 444.A OE2 no hydrogen 2.811 N/A ALA 408.A N GLN 404.A O no hydrogen 2.906 N/A VAL 409.A N VAL 406.A O no hydrogen 3.411 N/A LYS 410.A N GLN 407.A O no hydrogen 3.188 N/A LYS 410.A NZ GLN 407.A OE1 no hydrogen 3.126 N/A LYS 410.A NZ GLU 444.A OE1 no hydrogen 2.926 N/A LYS 410.A NZ THR 766.A O no hydrogen 3.478 N/A PHE 411.A N ALA 408.A O no hydrogen 3.117 N/A GLU 412.A N VAL 409.A O no hydrogen 3.008 N/A TYR 414.A OH ILE 240.A O no hydrogen 2.695 N/A HIS 415.A N GLU 29.A OE2 no hydrogen 2.968 N/A ARG 421.A N SER 417.A O no hydrogen 2.990 N/A ARG 421.A NE ASP 416.A OD1 no hydrogen 2.776 N/A ARG 421.A NH2 ASP 416.A OD2 no hydrogen 2.853 N/A PHE 422.A N ALA 418.A O no hydrogen 2.979 N/A LEU 423.A N LEU 419.A O no hydrogen 2.950 N/A LEU 424.A N ALA 420.A O no hydrogen 3.286 N/A LYS 425.A N ARG 421.A O no hydrogen 2.949 N/A ARG 426.A N PHE 422.A O no hydrogen 2.845 N/A ARG 426.A NH1 LEU 393.A O no hydrogen 2.948 N/A ARG 426.A NH2 LEU 393.A O no hydrogen 2.950 N/A ARG 426.A NH2 ASP 395.A OD1 no hydrogen 2.915 N/A GLY 427.A N LEU 423.A O no hydrogen 3.118 N/A LEU 428.A N LEU 424.A O no hydrogen 3.113 N/A ARG 429.A N LYS 425.A O no hydrogen 3.144 N/A ARG 429.A NE GLU 44.A OE1 no hydrogen 3.268 N/A ARG 429.A NH2 GLU 44.A OE2 no hydrogen 3.245 N/A ASN 430.A N ARG 426.A O no hydrogen 3.391 N/A ILE 433.A N ASN 430.A OD1 no hydrogen 3.445 N/A GLY 434.A N ASN 430.A O no hydrogen 3.073 N/A HIS 435.A N LYS 431.A O no hydrogen 2.976 N/A HIS 435.A NE2 PRO 528.A O no hydrogen 2.785 N/A PHE 436.A N ARG 432.A O no hydrogen 3.233 N/A LEU 437.A N ILE 433.A O no hydrogen 2.864 N/A PHE 438.A N GLY 434.A O no hydrogen 2.989 N/A TRP 439.A N HIS 435.A O no hydrogen 3.408 N/A TRP 439.A NE1 GLN 477.A OE1 no hydrogen 2.912 N/A PHE 440.A N PHE 436.A O no hydrogen 2.832 N/A LEU 441.A N LEU 437.A O no hydrogen 3.008 N/A ARG 442.A N PHE 438.A O no hydrogen 2.797 N/A ARG 442.A NH1 ALA 13.A O no hydrogen 3.518 N/A ARG 442.A NH1 LEU 14.A O no hydrogen 2.780 N/A SER 443.A N TRP 439.A O no hydrogen 3.201 N/A SER 443.A OG TRP 439.A O no hydrogen 3.520 N/A SER 443.A OG PHE 440.A O no hydrogen 2.743 N/A SER 443.A OG GLU 444.A OE2 no hydrogen 3.261 N/A ILE 445.A N LEU 441.A O no hydrogen 3.013 N/A ALA 446.A N ARG 442.A O no hydrogen 3.099 N/A TYR 451.A OH ALA 262.A O no hydrogen 2.655 N/A TYR 451.A OH LYS 410.A O no hydrogen 3.146 N/A GLN 453.A NE2 TYR 17.A OH no hydrogen 3.031 N/A GLN 453.A NE2 ASN 24.A O no hydrogen 3.396 N/A ARG 454.A NE HIS 415.A ND1 no hydrogen 3.071 N/A ARG 454.A NH1 GLU 412.A O no hydrogen 2.766 N/A ARG 454.A NH2 SER 267.A OG no hydrogen 3.386 N/A ARG 454.A NH2 GLU 412.A O no hydrogen 3.127 N/A ARG 454.A NH2 PRO 413.A O no hydrogen 3.481 N/A PHE 455.A N TYR 451.A O no hydrogen 3.271 N/A ALA 456.A N GLN 452.A O no hydrogen 3.077 N/A VAL 457.A N ARG 454.A O no hydrogen 3.219 N/A ILE 458.A N ARG 454.A O no hydrogen 3.379 N/A LEU 459.A N PHE 455.A O no hydrogen 2.862 N/A GLU 460.A N ALA 456.A O no hydrogen 2.897 N/A ALA 461.A N VAL 457.A O no hydrogen 3.094 N/A TYR 462.A N ILE 458.A O no hydrogen 3.115 N/A LEU 463.A N LEU 459.A O no hydrogen 2.950 N/A ARG 464.A N GLU 460.A O no hydrogen 2.951 N/A GLY 465.A N TYR 462.A O no hydrogen 2.971 N/A CYS 466.A SG LEU 463.A O no hydrogen 3.534 N/A CYS 466.A SG GLY 467.A O no hydrogen 3.797 N/A THR 468.A N GLU 151.A O no hydrogen 3.098 N/A THR 468.A OG1 LEU 149.A O no hydrogen 2.800 N/A LEU 471.A N GLY 467.A O no hydrogen 3.102 N/A HIS 472.A N THR 468.A O no hydrogen 2.854 N/A PHE 474.A N MET 470.A O no hydrogen 2.862 N/A THR 475.A N LEU 471.A O no hydrogen 2.998 N/A THR 475.A OG1 LEU 471.A O no hydrogen 2.690 N/A GLN 476.A NE2 ASP 473.A OD1 no hydrogen 3.548 N/A GLN 477.A N PHE 474.A O no hydrogen 3.213 N/A GLN 477.A NE2 ASP 473.A O no hydrogen 3.421 N/A VAL 478.A N PHE 474.A O no hydrogen 2.839 N/A GLN 479.A N THR 475.A O no hydrogen 3.119 N/A ILE 481.A N GLN 477.A O no hydrogen 3.370 N/A GLU 482.A N VAL 478.A O no hydrogen 3.053 N/A MET 483.A N GLN 479.A O no hydrogen 3.138 N/A LEU 484.A N VAL 480.A O no hydrogen 2.982 N/A GLN 485.A N ILE 481.A O no hydrogen 2.739 N/A LYS 486.A N GLU 482.A O no hydrogen 3.089 N/A VAL 487.A N MET 483.A O no hydrogen 3.153 N/A THR 488.A N LEU 484.A O no hydrogen 2.991 N/A THR 488.A OG1 LEU 484.A O no hydrogen 2.690 N/A LEU 489.A N GLN 485.A O no hydrogen 3.412 N/A ASP 490.A N VAL 487.A O no hydrogen 3.262 N/A ILE 491.A N VAL 487.A O no hydrogen 3.273 N/A LYS 492.A N THR 488.A O no hydrogen 3.062 N/A SER 493.A N ASP 490.A O no hydrogen 3.182 N/A SER 493.A OG LEU 489.A O no hydrogen 3.453 N/A LEU 494.A N ILE 491.A O no hydrogen 3.059 N/A SER 495.A N ILE 491.A O no hydrogen 2.689 N/A GLN 504.A N SER 502.A OG no hydrogen 2.909 N/A VAL 505.A N SER 502.A OG no hydrogen 3.095 N/A SER 507.A OG GLN 504.A O no hydrogen 2.789 N/A GLN 508.A N GLN 504.A O no hydrogen 3.099 N/A LEU 509.A N VAL 505.A O no hydrogen 2.777 N/A LYS 510.A N ILE 506.A O no hydrogen 3.059 N/A GLN 511.A N SER 507.A O no hydrogen 3.073 N/A LYS 512.A N GLN 508.A O no hydrogen 3.336 N/A LEU 513.A N LEU 509.A O no hydrogen 2.940 N/A GLU 514.A N LYS 510.A O no hydrogen 2.921 N/A ASN 515.A N GLN 511.A O no hydrogen 2.845 N/A LEU 516.A N LYS 512.A O no hydrogen 3.076 N/A GLN 517.A N LEU 513.A O no hydrogen 3.448 N/A PHE 525.A N ALA 535.A O no hydrogen 2.820 N/A ARG 526.A NE ASP 473.A OD1 no hydrogen 3.242 N/A ARG 526.A NH1 ASP 112.A OD2 no hydrogen 2.746 N/A ARG 526.A NH2 ASP 112.A OD2 no hydrogen 2.799 N/A VAL 527.A N LEU 533.A O no hydrogen 2.985 N/A LEU 533.A N ASP 530.A O no hydrogen 3.321 N/A ALA 535.A N PHE 525.A O no hydrogen 2.902 N/A GLY 536.A N LYS 558.A O no hydrogen 2.780 N/A ALA 539.A N GLU 556.A O no hydrogen 2.795 N/A GLU 541.A N GLU 541.A OE1 no hydrogen 2.801 N/A LYS 542.A N ALA 539.A O no hydrogen 2.811 N/A CYS 543.A N ILE 540.A O no hydrogen 3.247 N/A CYS 543.A SG ALA 539.A O no hydrogen 3.366 N/A LYS 544.A N TRP 554.A O no hydrogen 3.046 N/A MET 546.A N PRO 552.A O no hydrogen 2.895 N/A LYS 551.A N SER 548.A O no hydrogen 2.923 N/A LEU 553.A N PHE 572.A O no hydrogen 2.805 N/A TRP 554.A N LYS 544.A O no hydrogen 2.867 N/A TRP 554.A NE1 GLU 556.A OE2 no hydrogen 2.811 N/A LEU 555.A N ILE 570.A O no hydrogen 2.962 N/A PHE 557.A N ILE 568.A O no hydrogen 2.776 N/A LYS 558.A N ALA 537.A O no hydrogen 2.769 N/A CYS 559.A SG GLY 110.A O no hydrogen 4.023 N/A CYS 559.A SG LYS 534.A O no hydrogen 3.627 N/A ALA 560.A N LYS 534.A O no hydrogen 3.007 N/A THR 567.A OG1 GLU 556.A OE1 no hydrogen 2.898 N/A ILE 568.A N PHE 557.A O no hydrogen 2.758 N/A ILE 570.A N LEU 555.A O no hydrogen 2.934 N/A ILE 571.A N ILE 619.A O no hydrogen 2.814 N/A PHE 572.A N LEU 553.A O no hydrogen 2.977 N/A LYS 573.A N GLY 617.A O no hydrogen 3.286 N/A LYS 573.A NZ ASP 576.A OD2 no hydrogen 3.049 N/A GLY 575.A N LYS 615.A O no hydrogen 2.827 N/A ARG 579.A NE ASP 577.A OD1 no hydrogen 2.800 N/A ARG 579.A NE ASP 577.A OD2 no hydrogen 3.311 N/A ARG 579.A NH1 GLU 444.A OE1 no hydrogen 2.810 N/A ARG 579.A NH2 ASP 577.A OD1 no hydrogen 3.390 N/A GLN 580.A NE2 ASP 577.A O no hydrogen 3.639 N/A MET 582.A N LEU 578.A O no hydrogen 3.006 N/A LEU 583.A N ARG 579.A O no hydrogen 3.239 N/A ILE 584.A N GLN 580.A O no hydrogen 3.436 N/A LEU 585.A N ASP 581.A O no hydrogen 3.065 N/A GLN 586.A N MET 582.A O no hydrogen 2.934 N/A GLN 586.A NE2 GLN 586.A O no hydrogen 3.199 N/A ILE 587.A N LEU 583.A O no hydrogen 3.026 N/A LEU 588.A N ILE 584.A O no hydrogen 2.851 N/A ARG 589.A N LEU 585.A O no hydrogen 3.043 N/A ARG 589.A NH2 PRO 606.A O no hydrogen 3.078 N/A ILE 590.A N GLN 586.A O no hydrogen 3.025 N/A MET 591.A N ILE 587.A O no hydrogen 2.794 N/A GLU 592.A N LEU 588.A O no hydrogen 3.193 N/A SER 593.A OG HIS 400.A NE2 no hydrogen 3.358 N/A SER 593.A OG ILE 590.A O no hydrogen 2.690 N/A ILE 594.A N ILE 590.A O no hydrogen 2.930 N/A TRP 595.A N MET 591.A O no hydrogen 3.070 N/A TRP 595.A NE1 ALA 745.A O no hydrogen 2.774 N/A GLU 596.A N GLU 592.A O no hydrogen 3.004 N/A THR 597.A N SER 593.A O no hydrogen 3.138 N/A THR 597.A OG1 ILE 594.A O no hydrogen 2.704 N/A SER 599.A N GLU 596.A O no hydrogen 3.276 N/A LEU 600.A N TRP 595.A O no hydrogen 2.752 N/A CYS 603.A N ASP 601.A OD1 no hydrogen 3.386 N/A CYS 603.A SG ASP 601.A OD2 no hydrogen 3.818 N/A LEU 605.A N TYR 675.A OH no hydrogen 2.829 N/A GLY 608.A N GLU 620.A OE1 no hydrogen 3.155 N/A ILE 610.A N MET 618.A O no hydrogen 3.128 N/A SER 611.A OG GLN 447.A OE1 no hydrogen 2.766 N/A THR 612.A N ILE 616.A O no hydrogen 3.201 N/A THR 612.A OG1 ILE 616.A O no hydrogen 3.570 N/A GLY 613.A N ILE 616.A O no hydrogen 3.101 N/A GLY 617.A N LYS 573.A O no hydrogen 3.339 N/A MET 618.A N ILE 610.A O no hydrogen 3.029 N/A ILE 619.A N ILE 571.A O no hydrogen 2.856 N/A GLU 620.A N GLY 608.A O no hydrogen 2.800 N/A ILE 621.A N GLY 569.A O no hydrogen 3.102 N/A LYS 623.A NZ THR 567.A OG1 no hydrogen 3.120 N/A THR 626.A N ILE 694.A O no hydrogen 2.865 N/A THR 627.A OG1 ASP 690.A O no hydrogen 3.335 N/A ILE 628.A N ILE 692.A O no hydrogen 2.973 N/A ALA 629.A N ASN 689.A O no hydrogen 3.325 N/A ILE 631.A N THR 627.A O no hydrogen 3.313 N/A GLN 632.A N ILE 628.A O no hydrogen 3.229 N/A GLN 633.A N ALA 629.A O no hydrogen 2.963 N/A GLN 633.A NE2 ALA 629.A O no hydrogen 3.540 N/A SER 634.A N ILE 631.A O no hydrogen 3.225 N/A SER 634.A OG LYS 630.A O no hydrogen 2.722 N/A THR 639.A OG1 ASN 638.A O no hydrogen 2.710 N/A THR 639.A OG1 ASN 638.A OD1 no hydrogen 3.508 N/A VAL 646.A N LYS 643.A O no hydrogen 3.134 N/A ASN 648.A ND2 PHE 724.A O no hydrogen 3.435 N/A HIS 649.A N GLU 645.A O no hydrogen 3.356 N/A TRP 650.A N VAL 646.A O no hydrogen 3.313 N/A LEU 651.A N LEU 647.A O no hydrogen 3.487 N/A LYS 652.A N ASN 648.A O no hydrogen 2.905 N/A GLU 653.A N HIS 649.A O no hydrogen 3.128 N/A LYS 654.A N TRP 650.A O no hydrogen 2.856 N/A SER 655.A OG LEU 651.A O no hydrogen 2.691 N/A LYS 660.A N THR 657.A O no hydrogen 3.198 N/A PHE 661.A N THR 657.A O no hydrogen 2.937 N/A GLN 662.A N GLU 658.A O no hydrogen 2.800 N/A ALA 664.A N LYS 660.A O no hydrogen 3.103 N/A VAL 665.A N PHE 661.A O no hydrogen 2.895 N/A ARG 667.A N ALA 663.A O no hydrogen 3.012 N/A PHE 668.A N ALA 664.A O no hydrogen 3.307 N/A VAL 669.A N VAL 665.A O no hydrogen 3.127 N/A SER 671.A N ARG 667.A O no hydrogen 3.193 N/A SER 671.A OG ARG 667.A O no hydrogen 2.972 N/A SER 671.A OG PHE 668.A O no hydrogen 3.062 N/A CYS 672.A N PHE 668.A O no hydrogen 2.969 N/A ALA 673.A N VAL 669.A O no hydrogen 3.143 N/A GLY 674.A N TYR 670.A O no hydrogen 2.896 N/A TYR 675.A N SER 671.A O no hydrogen 2.955 N/A CYS 676.A N CYS 672.A O no hydrogen 3.040 N/A CYS 676.A SG CYS 672.A O no hydrogen 3.205 N/A CYS 676.A SG VAL 717.A O no hydrogen 4.005 N/A VAL 677.A N ALA 673.A O no hydrogen 3.106 N/A ALA 678.A N GLY 674.A O no hydrogen 3.000 N/A THR 679.A N TYR 675.A O no hydrogen 3.277 N/A THR 679.A OG1 TYR 675.A O no hydrogen 2.707 N/A PHE 680.A N CYS 676.A O no hydrogen 3.330 N/A VAL 681.A N VAL 677.A O no hydrogen 3.169 N/A LEU 682.A N ALA 678.A O no hydrogen 3.006 N/A ILE 684.A N THR 679.A O no hydrogen 2.806 N/A ARG 687.A NH1 ASN 691.A OD1 no hydrogen 3.128 N/A ASN 689.A N GLN 812.A OE1 no hydrogen 2.928 N/A ASN 691.A N HIS 688.A O no hydrogen 2.822 N/A ILE 692.A N ASN 689.A O no hydrogen 3.442 N/A MET 693.A N PHE 701.A O no hydrogen 2.792 N/A ILE 694.A N THR 626.A O no hydrogen 2.884 N/A THR 695.A N ASN 699.A O no hydrogen 2.896 N/A THR 695.A OG1 THR 697.A OG1 no hydrogen 3.053 N/A THR 695.A OG1 ASN 699.A O no hydrogen 3.363 N/A GLU 696.A N ASP 624.A O no hydrogen 2.789 N/A THR 697.A OG1 THR 695.A OG1 no hydrogen 3.053 N/A GLY 698.A N THR 695.A O no hydrogen 2.997 N/A ASN 699.A N THR 695.A OG1 no hydrogen 2.892 N/A LEU 700.A N SER 671.A OG no hydrogen 3.161 N/A PHE 701.A N MET 693.A O no hydrogen 2.828 N/A ILE 703.A N ASN 691.A O no hydrogen 2.818 N/A ASP 704.A N TYR 607.A OH no hydrogen 3.316 N/A LEU 709.A N PHE 705.A O no hydrogen 3.195 N/A ASN 711.A N ILE 708.A O no hydrogen 3.224 N/A THR 719.A OG1 ASP 721.A OD1 no hydrogen 2.710 N/A PHE 722.A N THR 719.A O no hydrogen 2.809 N/A LEU 723.A N THR 719.A O no hydrogen 3.140 N/A PHE 724.A N PRO 720.A O no hydrogen 2.810 N/A VAL 725.A N ASP 721.A O no hydrogen 3.363 N/A GLY 727.A N LEU 723.A O no hydrogen 3.241 N/A GLY 727.A N PHE 724.A O no hydrogen 3.133 N/A THR 728.A N LEU 723.A O no hydrogen 3.082 N/A THR 728.A OG1 SER 732.A OG no hydrogen 2.859 N/A SER 732.A OG MET 726.A O no hydrogen 2.719 N/A SER 732.A OG THR 728.A OG1 no hydrogen 2.859 N/A PHE 735.A N SER 732.A O no hydrogen 2.985 N/A GLN 736.A N SER 732.A O no hydrogen 3.030 N/A PHE 738.A N HIS 734.A O no hydrogen 3.145 N/A GLN 739.A N PHE 735.A O no hydrogen 3.195 N/A ASP 740.A N GLN 736.A O no hydrogen 3.167 N/A ILE 741.A N LYS 737.A O no hydrogen 2.898 N/A CYS 742.A N PHE 738.A O no hydrogen 2.872 N/A CYS 742.A SG PHE 738.A O no hydrogen 3.411 N/A VAL 743.A N GLN 739.A O no hydrogen 3.060 N/A LYS 744.A N ASP 740.A O no hydrogen 3.295 N/A ALA 745.A N ILE 741.A O no hydrogen 2.801 N/A TYR 746.A N CYS 742.A O no hydrogen 3.158 N/A TYR 746.A OH ALA 783.A O no hydrogen 2.718 N/A TYR 746.A OH THR 785.A OG1 no hydrogen 2.746 N/A LEU 747.A N VAL 743.A O no hydrogen 2.859 N/A ALA 748.A N LYS 744.A O no hydrogen 3.211 N/A LEU 749.A N ALA 745.A O no hydrogen 3.216 N/A ARG 750.A N TYR 746.A O no hydrogen 3.184 N/A ARG 750.A NE LEU 784.A O no hydrogen 2.797 N/A ARG 750.A NH2 THR 785.A O no hydrogen 3.089 N/A ARG 750.A NH2 LYS 788.A O no hydrogen 2.838 N/A HIS 751.A N ALA 748.A O no hydrogen 3.346 N/A HIS 751.A NE2 GLU 790.A OE2 no hydrogen 2.780 N/A HIS 752.A N LEU 749.A O no hydrogen 3.004 N/A HIS 752.A ND1 ALA 748.A O no hydrogen 3.245 N/A THR 753.A OG1 ARG 750.A O no hydrogen 2.703 N/A LEU 756.A N HIS 752.A O no hydrogen 3.063 N/A ILE 757.A N THR 753.A O no hydrogen 2.913 N/A ILE 758.A N ASN 754.A O no hydrogen 3.192 N/A LEU 759.A N LEU 755.A O no hydrogen 2.962 N/A PHE 760.A N LEU 756.A O no hydrogen 3.138 N/A SER 761.A N ILE 757.A O no hydrogen 3.025 N/A SER 761.A OG ILE 757.A O no hydrogen 3.254 N/A SER 761.A OG ILE 758.A O no hydrogen 3.295 N/A MET 762.A N ILE 758.A O no hydrogen 3.270 N/A MET 763.A N LEU 759.A O no hydrogen 2.983 N/A LEU 764.A N PHE 760.A O no hydrogen 2.985 N/A MET 765.A N SER 761.A O no hydrogen 2.858 N/A THR 766.A N MET 762.A O no hydrogen 3.055 N/A THR 766.A OG1 MET 762.A O no hydrogen 2.771 N/A GLY 767.A N MET 763.A O no hydrogen 2.795 N/A THR 772.A OG1 PRO 769.A O no hydrogen 2.772 N/A SER 773.A OG LEU 771.A O no hydrogen 2.860 N/A ILE 777.A N SER 773.A O no hydrogen 3.124 N/A GLU 778.A N LYS 774.A O no hydrogen 3.330 N/A TYR 779.A OH PHE 680.A O no hydrogen 3.049 N/A ARG 781.A N GLU 778.A O no hydrogen 3.249 N/A ARG 781.A NH1 GLU 778.A OE1 no hydrogen 2.939 N/A ALA 783.A N TYR 779.A O no hydrogen 3.147 N/A LEU 784.A N ILE 780.A O no hydrogen 2.955 N/A THR 785.A N ASP 782.A O no hydrogen 3.051 N/A THR 785.A OG1 TYR 746.A OH no hydrogen 2.746 N/A VAL 786.A N ARG 781.A O no hydrogen 3.046 N/A LYS 788.A N THR 785.A O no hydrogen 3.365 N/A ALA 793.A N ASN 789.A O no hydrogen 2.808 N/A LYS 794.A N GLU 790.A O no hydrogen 3.277 N/A LYS 795.A N GLU 791.A O no hydrogen 3.359 N/A TYR 796.A N ASP 792.A O no hydrogen 3.213 N/A PHE 797.A N ALA 793.A O no hydrogen 3.246 N/A LEU 798.A N LYS 794.A O no hydrogen 3.230 N/A ASP 799.A N LYS 795.A O no hydrogen 3.103 N/A GLN 800.A N TYR 796.A O no hydrogen 3.311 N/A GLN 800.A N PHE 797.A O no hydrogen 3.115 N/A GLN 800.A NE2 TYR 796.A O no hydrogen 3.411 N/A ILE 801.A N PHE 797.A O no hydrogen 3.182 N/A GLU 802.A N LEU 798.A O no hydrogen 3.172 N/A VAL 803.A N ASP 799.A O no hydrogen 3.188 N/A CYS 804.A N GLN 800.A O no hydrogen 3.348 N/A CYS 804.A SG PHE 716.A O no hydrogen 3.270 N/A CYS 804.A SG GLN 800.A O no hydrogen 3.323 N/A ARG 805.A N ILE 801.A O no hydrogen 3.113 N/A ASP 806.A N GLU 802.A O no hydrogen 2.928 N/A TRP 809.A NE1 ASP 644.A OD1 no hydrogen 3.168 N/A THR 810.A N LYS 807.A O no hydrogen 3.059 N/A THR 810.A OG1 LYS 807.A O no hydrogen 2.721 N/A GLN 812.A NE2 ARG 687.A O no hydrogen 2.949 N/A PHE 813.A N TRP 809.A O no hydrogen 2.831 N/A ASN 814.A N THR 810.A O no hydrogen 2.953 N/A TRP 815.A N VAL 811.A O no hydrogen 2.727 N/A TRP 815.A NE1 ASP 686.A OD1 no hydrogen 2.888 N/A PHE 816.A N GLN 812.A O no hydrogen 2.925 N/A LEU 817.A N PHE 813.A O no hydrogen 2.863 N/A HIS 818.A N ASN 814.A O no hydrogen 3.154 N/A LEU 819.A N TRP 815.A O no hydrogen 3.006 N/A LEU 821.A N LEU 817.A O no hydrogen 2.782 N/A