Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kyw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N THR 1.A O no hydrogen 3.146 N/A ILE 6.A N TYR 2.A O no hydrogen 3.002 N/A GLN 7.A N LEU 3.A O no hydrogen 3.345 N/A GLN 8.A N GLU 4.A O no hydrogen 2.936 N/A ASN 9.A N PHE 5.A O no hydrogen 3.060 N/A ASN 9.A ND2 PHE 5.A O no hydrogen 2.896 N/A GLU 10.A N ILE 6.A O no hydrogen 2.911 N/A GLU 11.A N GLN 7.A O no hydrogen 3.206 N/A ARG 12.A N GLN 8.A O no hydrogen 3.159 N/A ARG 12.A NH1 SER 113.A OG no hydrogen 2.844 N/A ARG 12.A NH2 ASN 9.A OD1 no hydrogen 2.739 N/A ASP 13.A N ASN 9.A O no hydrogen 2.813 N/A ARG 16.A N LEU 39.A O no hydrogen 3.253 N/A ARG 16.A NH1 GLU 10.A OE1 no hydrogen 2.671 N/A ARG 16.A NH2 ASP 490.A OD1 no hydrogen 2.954 N/A SER 18.A N ALA 37.A O no hydrogen 2.727 N/A SER 18.A OG PRO 35.A O no hydrogen 2.713 N/A SER 18.A OG ALA 37.A O no hydrogen 3.307 N/A TRP 19.A NE1 VAL 34.A O no hydrogen 2.747 N/A ASN 20.A N SER 488.A O no hydrogen 3.064 N/A ASN 20.A ND2 SER 488.A O no hydrogen 3.131 N/A TRP 22.A N ASN 474.A O no hydrogen 2.823 N/A TRP 22.A NE1 TRP 19.A O no hydrogen 3.063 N/A SER 24.A N ALA 476.A O no hydrogen 2.979 N/A SER 24.A OG ALA 476.A O no hydrogen 3.116 N/A SER 25.A OG GLU 28.A OE1 no hydrogen 3.175 N/A ALA 29.A N SER 25.A O no hydrogen 3.229 N/A THR 30.A N ARG 26.A O no hydrogen 3.051 N/A THR 30.A N LEU 27.A O no hydrogen 2.979 N/A THR 30.A OG1 ARG 26.A O no hydrogen 3.009 N/A ARG 31.A N LEU 27.A O no hydrogen 3.371 N/A MET 32.A N GLU 28.A O no hydrogen 3.203 N/A ALA 37.A N SER 18.A OG no hydrogen 3.158 N/A ALA 38.A N ILE 441.A O no hydrogen 3.041 N/A LEU 39.A N ARG 16.A O no hydrogen 3.014 N/A PHE 40.A N LEU 439.A O no hydrogen 3.116 N/A THR 41.A N GLY 14.A O no hydrogen 3.010 N/A THR 41.A OG1 THR 438.A OG1 no hydrogen 2.404 N/A ILE 52.A N GLU 116.A O no hydrogen 3.086 N/A TYR 54.A OH GLU 107.A OE2 no hydrogen 2.746 N/A CYS 59.A N ALA 66.A O no hydrogen 2.725 N/A SER 60.A N ASN 90.A OD1 no hydrogen 3.009 N/A SER 60.A OG ASN 90.A OD1 no hydrogen 2.754 N/A ARG 61.A NE GLN 88.A OE1 no hydrogen 3.422 N/A ARG 61.A NH2 GLN 88.A OE1 no hydrogen 3.179 N/A ARG 65.A NH1 CYS 59.A O no hydrogen 3.538 N/A VAL 67.A N GLN 452.A OE1 no hydrogen 3.055 N/A LEU 68.A N VAL 57.A O no hydrogen 2.984 N/A ASN 69.A ND2 VAL 67.A O no hydrogen 2.736 N/A ASN 69.A ND2 ASN 84.A OD1 no hydrogen 3.261 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 2.978 N/A CYS 72.A N ASN 69.A O no hydrogen 3.019 N/A CYS 72.A SG ASN 69.A O no hydrogen 3.312 N/A CYS 72.A SG ASN 84.A OD1 no hydrogen 3.698 N/A ASP 75.A N LEU 80.A O no hydrogen 2.977 N/A LYS 79.A NZ ALA 97.A O no hydrogen 3.309 N/A LEU 80.A N ASP 75.A O no hydrogen 3.450 N/A TRP 81.A N ASN 90.A O no hydrogen 2.764 N/A ALA 82.A N GLN 73.A O no hydrogen 2.953 N/A CYS 83.A N GLN 88.A O no hydrogen 3.040 N/A TYR 87.A N CYS 83.A O no hydrogen 2.894 N/A GLN 88.A NE2 ARG 89.A O no hydrogen 3.097 N/A ASN 90.A N TRP 81.A O no hydrogen 2.845 N/A TYR 96.A N PRO 93.A O no hydrogen 3.006 N/A TYR 96.A OH GLU 107.A OE1 no hydrogen 2.987 N/A ALA 97.A N PRO 94.A O no hydrogen 3.305 N/A ILE 99.A N TYR 96.A O no hydrogen 2.764 N/A ASN 103.A N SER 100.A OG no hydrogen 3.117 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 3.100 N/A LEU 108.A N PRO 105.A O no hydrogen 3.427 N/A LEU 109.A N ALA 106.A O no hydrogen 2.970 N/A PHE 112.A N LEU 109.A O no hydrogen 2.850 N/A SER 113.A N PRO 110.A O no hydrogen 3.289 N/A SER 113.A OG ASP 13.A OD1 no hydrogen 2.459 N/A SER 113.A OG ASP 13.A OD2 no hydrogen 3.402 N/A SER 114.A OG ARG 12.A O no hydrogen 2.487 N/A ILE 115.A N VAL 468.A O no hydrogen 2.824 N/A TYR 117.A N ILE 466.A O no hydrogen 2.656 N/A TYR 117.A OH GLU 107.A OE1 no hydrogen 3.409 N/A VAL 118.A N ILE 52.A O no hydrogen 2.837 N/A VAL 119.A N ARG 464.A O no hydrogen 2.961 N/A PHE 129.A N LEU 161.A O no hydrogen 2.849 N/A LEU 130.A N ARG 267.A O no hydrogen 2.767 N/A TYR 131.A N GLY 163.A O no hydrogen 2.757 N/A TYR 131.A OH SER 152.A OG no hydrogen 2.663 N/A VAL 132.A N MET 269.A O no hydrogen 2.805 N/A VAL 133.A N ILE 165.A O no hydrogen 2.918 N/A ASP 134.A N PHE 271.A O no hydrogen 2.805 N/A THR 135.A OG1 PHE 167.A O no hydrogen 2.864 N/A CYS 136.A SG ASP 232.A OD2 no hydrogen 3.504 N/A CYS 136.A SG LEU 243.A O no hydrogen 3.990 N/A LEU 142.A N GLU 138.A O no hydrogen 3.168 N/A GLN 143.A N ASP 139.A O no hydrogen 2.989 N/A ALA 144.A N GLU 140.A O no hydrogen 3.058 N/A LEU 145.A N ASP 141.A O no hydrogen 2.956 N/A LYS 146.A N LEU 142.A O no hydrogen 2.842 N/A LYS 146.A NZ GLN 143.A OE1 no hydrogen 2.804 N/A LYS 146.A NZ GLY 227.A O no hydrogen 3.414 N/A LYS 146.A NZ LEU 229.A O no hydrogen 3.069 N/A GLU 147.A N GLN 143.A O no hydrogen 3.230 N/A SER 148.A N ALA 144.A O no hydrogen 2.933 N/A MET 149.A N LEU 145.A O no hydrogen 2.955 N/A GLN 150.A N LYS 146.A O no hydrogen 2.888 N/A GLN 150.A NE2 THR 223.A O no hydrogen 3.198 N/A GLN 150.A NE2 THR 223.A OG1 no hydrogen 2.825 N/A MET 151.A N GLU 147.A O no hydrogen 2.924 N/A SER 152.A N SER 148.A O no hydrogen 3.097 N/A SER 152.A OG TYR 131.A OH no hydrogen 2.663 N/A SER 152.A OG SER 148.A O no hydrogen 3.567 N/A SER 152.A OG MET 149.A O no hydrogen 2.858 N/A LEU 153.A N MET 149.A O no hydrogen 3.068 N/A SER 154.A N GLN 150.A O no hydrogen 3.308 N/A SER 154.A N MET 151.A O no hydrogen 3.021 N/A SER 154.A OG MET 151.A O no hydrogen 2.557 N/A LEU 155.A N SER 152.A O no hydrogen 3.163 N/A ALA 160.A N PRO 157.A O no hydrogen 3.217 N/A LEU 161.A N LEU 127.A O no hydrogen 2.659 N/A VAL 162.A N GLN 213.A O no hydrogen 2.894 N/A GLY 163.A N PHE 129.A O no hydrogen 3.139 N/A ILE 165.A N TYR 131.A O no hydrogen 2.866 N/A THR 166.A N GLN 172.A O no hydrogen 2.913 N/A THR 166.A OG1 HIS 174.A NE2 no hydrogen 2.949 N/A PHE 167.A N VAL 133.A O no hydrogen 3.287 N/A GLY 168.A N MET 170.A O no hydrogen 2.802 N/A ARG 169.A N ASP 232.A OD2 no hydrogen 2.778 N/A VAL 171.A N PHE 187.A O no hydrogen 3.236 N/A GLN 172.A N THR 166.A O no hydrogen 2.700 N/A VAL 173.A N TYR 185.A O no hydrogen 2.862 N/A HIS 174.A N LEU 164.A O no hydrogen 3.211 N/A HIS 174.A NE2 THR 166.A OG1 no hydrogen 2.949 N/A GLU 175.A N LYS 183.A O no hydrogen 3.177 N/A LEU 176.A N ARG 210.A O no hydrogen 3.138 N/A CYS 178.A SG ILE 181.A O no hydrogen 3.884 N/A LYS 183.A NZ TYR 185.A OH no hydrogen 3.458 N/A SER 184.A OG GLN 172.A OE1 no hydrogen 3.246 N/A TYR 185.A N VAL 173.A O no hydrogen 3.007 N/A PHE 187.A N VAL 171.A O no hydrogen 3.057 N/A LYS 191.A N ARG 188.A O no hydrogen 3.509 N/A LEU 193.A N ASP 192.A OD1 no hydrogen 2.928 N/A SER 194.A N GLN 197.A OE1 no hydrogen 2.690 N/A SER 194.A OG GLN 197.A OE1 no hydrogen 3.294 N/A GLN 197.A N SER 194.A OG no hydrogen 3.249 N/A LEU 198.A N SER 194.A O no hydrogen 2.981 N/A GLN 199.A N ALA 195.A O no hydrogen 2.878 N/A GLU 200.A N LYS 196.A O no hydrogen 3.075 N/A MET 201.A N GLN 197.A O no hydrogen 2.883 N/A LEU 202.A N LEU 198.A O no hydrogen 3.018 N/A GLY 203.A N GLU 200.A O no hydrogen 2.883 N/A LEU 204.A N GLN 199.A O no hydrogen 2.988 N/A ASN 209.A N LEU 212.A O no hydrogen 2.895 N/A ARG 210.A NE GLU 175.A OE1 no hydrogen 2.860 N/A ARG 210.A NH1 LEU 202.A O no hydrogen 3.345 N/A ARG 210.A NH1 GLY 203.A O no hydrogen 3.271 N/A ARG 210.A NH2 LEU 202.A O no hydrogen 2.928 N/A GLN 213.A N VAL 162.A O no hydrogen 3.135 N/A GLN 213.A NE2 ASN 209.A O no hydrogen 2.350 N/A VAL 215.A N ALA 160.A O no hydrogen 2.853 N/A GLN 216.A N PRO 158.A O no hydrogen 3.247 N/A LYS 217.A NZ GLN 213.A OE1 no hydrogen 3.288 N/A ILE 218.A N PRO 214.A O no hydrogen 3.158 N/A ILE 218.A N VAL 215.A O no hydrogen 3.228 N/A LEU 222.A N ILE 218.A O no hydrogen 2.792 N/A THR 223.A N ASP 219.A O no hydrogen 3.130 N/A ASP 224.A N MET 220.A O no hydrogen 3.174 N/A LEU 225.A N ASN 221.A O no hydrogen 2.954 N/A LEU 226.A N LEU 222.A O no hydrogen 2.617 N/A GLY 227.A N THR 223.A O no hydrogen 2.882 N/A GLU 228.A N ASP 224.A O no hydrogen 3.000 N/A GLU 228.A N LEU 225.A O no hydrogen 3.113 N/A LEU 229.A N LEU 225.A O no hydrogen 3.000 N/A LEU 229.A N LEU 226.A O no hydrogen 3.369 N/A ASP 232.A N THR 135.A O no hydrogen 2.757 N/A TRP 234.A N ASP 232.A OD1 no hydrogen 2.906 N/A LYS 240.A N PRO 237.A O no hydrogen 3.325 N/A LYS 240.A NZ ASP 286.A OD2 no hydrogen 3.547 N/A ARG 241.A N ASP 286.A O no hydrogen 2.491 N/A ARG 241.A NE GLY 285.A O no hydrogen 3.123 N/A ARG 241.A NH2 GLY 285.A O no hydrogen 3.356 N/A ARG 241.A NH2 THR 290.A O no hydrogen 2.887 N/A ARG 244.A N THR 277.A OG1 no hydrogen 2.883 N/A ARG 244.A NE PRO 275.A O no hydrogen 2.876 N/A ARG 244.A NH1 ASP 134.A OD2 no hydrogen 2.733 N/A ARG 244.A NH1 CYS 136.A O no hydrogen 2.978 N/A SER 245.A N GLY 168.A O no hydrogen 3.256 N/A SER 245.A OG GLY 168.A O no hydrogen 3.016 N/A SER 245.A OG GLY 189.A O no hydrogen 3.064 N/A ALA 249.A N SER 245.A O no hydrogen 3.039 N/A LEU 250.A N SER 246.A O no hydrogen 3.124 N/A SER 251.A N GLY 247.A O no hydrogen 3.190 N/A SER 251.A OG ASP 192.A OD1 no hydrogen 2.942 N/A SER 251.A OG LEU 193.A O no hydrogen 3.295 N/A ILE 252.A N VAL 248.A O no hydrogen 2.820 N/A ALA 253.A N ALA 249.A O no hydrogen 2.712 N/A VAL 254.A N LEU 250.A O no hydrogen 2.728 N/A GLY 255.A N SER 251.A O no hydrogen 3.231 N/A LEU 256.A N ILE 252.A O no hydrogen 2.868 N/A GLU 258.A N VAL 254.A O no hydrogen 2.958 N/A CYS 259.A N GLY 255.A O no hydrogen 3.287 N/A CYS 259.A SG ALA 195.A O no hydrogen 3.916 N/A CYS 259.A SG GLY 255.A O no hydrogen 3.191 N/A CYS 259.A SG LEU 256.A O no hydrogen 3.845 N/A THR 260.A N LEU 257.A O no hydrogen 3.261 N/A THR 260.A OG1 LEU 256.A O no hydrogen 2.664 N/A THR 260.A OG1 LEU 257.A O no hydrogen 3.547 N/A PHE 261.A N LEU 257.A O no hydrogen 2.909 N/A ASN 263.A N THR 323.A O no hydrogen 2.817 N/A ARG 267.A N ILE 128.A O no hydrogen 2.783 N/A ARG 267.A NE ASP 328.A OD2 no hydrogen 2.782 N/A ARG 267.A NH2 ASP 328.A OD1 no hydrogen 2.847 N/A ARG 267.A NH2 ASP 328.A OD2 no hydrogen 3.233 N/A ILE 268.A N VAL 326.A O no hydrogen 2.602 N/A MET 269.A N LEU 130.A O no hydrogen 2.844 N/A MET 270.A N ASP 328.A O no hydrogen 3.139 N/A PHE 271.A N VAL 132.A O no hydrogen 2.786 N/A ILE 272.A N TYR 330.A O no hydrogen 3.011 N/A GLY 273.A N ASP 134.A OD2 no hydrogen 3.002 N/A THR 277.A N ARG 244.A O no hydrogen 2.914 N/A THR 277.A OG1 PRO 242.A O no hydrogen 2.615 N/A GLN 278.A N ARG 244.A O no hydrogen 3.228 N/A GLN 278.A NE2 ARG 169.A O no hydrogen 3.405 N/A GLN 278.A NE2 GLY 189.A O no hydrogen 3.632 N/A GLN 278.A NE2 SER 245.A OG no hydrogen 2.908 N/A VAL 283.A N ALA 276.A O no hydrogen 2.738 N/A VAL 284.A N ALA 276.A O no hydrogen 3.452 N/A LEU 288.A N GLY 239.A O no hydrogen 2.677 N/A THR 290.A OG1 GLU 287.A O no hydrogen 3.119 N/A TRP 295.A NE1 SER 572.A OG no hydrogen 3.115 N/A ASP 297.A N SER 294.A OG no hydrogen 2.787 N/A ILE 298.A N SER 294.A O no hydrogen 2.825 N/A ASP 299.A N TRP 295.A O no hydrogen 3.041 N/A LYS 300.A N HIS 296.A O no hydrogen 2.936 N/A ASN 302.A N ASP 297.A O no hydrogen 2.950 N/A VAL 306.A N ALA 303.A O no hydrogen 3.363 N/A GLY 309.A N TYR 305.A O no hydrogen 2.790 N/A THR 310.A N VAL 306.A O no hydrogen 2.906 N/A THR 310.A OG1 VAL 306.A O no hydrogen 2.992 N/A LYS 311.A N LYS 307.A O no hydrogen 3.353 N/A HIS 312.A N LYS 308.A O no hydrogen 3.372 N/A HIS 312.A NE2 GLY 247.A O no hydrogen 3.024 N/A PHE 313.A N GLY 309.A O no hydrogen 3.388 N/A GLU 314.A N THR 310.A O no hydrogen 2.605 N/A ALA 315.A N LYS 311.A O no hydrogen 3.020 N/A LEU 316.A N HIS 312.A O no hydrogen 2.818 N/A ALA 317.A N PHE 313.A O no hydrogen 2.596 N/A ASN 318.A N GLU 314.A O no hydrogen 3.111 N/A ARG 319.A N ALA 315.A O no hydrogen 3.192 N/A ARG 319.A NE GLU 258.A OE1 no hydrogen 3.035 N/A ARG 319.A NH2 GLU 258.A OE1 no hydrogen 2.970 N/A ALA 320.A N LEU 316.A O no hydrogen 3.217 N/A ALA 321.A N ALA 317.A O no hydrogen 3.018 N/A THR 322.A N ASN 318.A O no hydrogen 2.849 N/A THR 322.A OG1 ASN 318.A O no hydrogen 2.644 N/A THR 323.A N ARG 319.A O no hydrogen 2.888 N/A THR 323.A OG1 ARG 319.A O no hydrogen 2.664 N/A GLY 324.A N ALA 320.A O no hydrogen 2.780 N/A HIS 325.A N ALA 320.A O no hydrogen 2.965 N/A HIS 325.A NE2 PHE 261.A O no hydrogen 2.673 N/A VAL 326.A N ALA 266.A O no hydrogen 2.761 N/A ILE 327.A N THR 349.A OG1 no hydrogen 3.274 N/A ASP 328.A N ILE 268.A O no hydrogen 2.980 N/A ILE 329.A N TYR 352.A O no hydrogen 3.021 N/A TYR 330.A N MET 270.A O no hydrogen 2.969 N/A ALA 331.A N VAL 354.A O no hydrogen 2.830 N/A CYS 332.A N ILE 272.A O no hydrogen 3.301 N/A ALA 333.A N GLY 356.A O no hydrogen 2.962 N/A GLN 336.A N ASP 335.A OD1 no hydrogen 2.656 N/A GLN 336.A NE2 ARG 293.A O no hydrogen 2.884 N/A THR 337.A N ASP 570.A OD2 no hydrogen 2.913 N/A GLY 338.A N ASP 570.A OD2 no hydrogen 3.014 N/A LEU 339.A N ASP 570.A OD2 no hydrogen 3.086 N/A LEU 340.A N ASP 570.A OD1 no hydrogen 2.896 N/A GLU 341.A N GLY 338.A O no hydrogen 2.943 N/A MET 342.A N GLY 338.A O no hydrogen 3.138 N/A MET 342.A N LEU 339.A O no hydrogen 3.158 N/A LYS 343.A NZ GLU 507.A OE2 no hydrogen 3.254 N/A CYS 344.A SG GLU 341.A O no hydrogen 3.999 N/A CYS 345.A N MET 342.A O no hydrogen 3.051 N/A CYS 345.A SG PHE 313.A O no hydrogen 3.863 N/A ASN 347.A N LYS 343.A O no hydrogen 3.038 N/A LEU 348.A N CYS 344.A O no hydrogen 2.938 N/A THR 349.A OG1 CYS 345.A O no hydrogen 2.486 N/A GLY 351.A N THR 349.A OG1 no hydrogen 3.360 N/A TYR 352.A N ASP 328.A OD1 no hydrogen 2.786 N/A VAL 354.A N ILE 329.A O no hydrogen 2.936 N/A ASN 360.A ND2 GLU 140.A OE1 no hydrogen 2.754 N/A THR 361.A OG1 SER 358.A O no hydrogen 2.743 N/A PHE 364.A N THR 361.A OG1 no hydrogen 3.399 N/A LYS 365.A N THR 361.A O no hydrogen 3.329 N/A LYS 365.A NZ ASN 360.A OD1 no hydrogen 3.543 N/A GLN 366.A N SER 362.A O no hydrogen 3.299 N/A THR 367.A N LEU 363.A O no hydrogen 3.081 N/A THR 367.A OG1 LEU 363.A O no hydrogen 2.970 N/A PHE 368.A N PHE 364.A O no hydrogen 2.806 N/A GLN 369.A N LYS 365.A O no hydrogen 3.296 N/A ARG 370.A N GLN 366.A O no hydrogen 3.196 N/A ARG 370.A N THR 367.A O no hydrogen 3.219 N/A VAL 371.A N PHE 368.A O no hydrogen 3.268 N/A PHE 372.A N GLN 369.A O no hydrogen 3.062 N/A THR 373.A N ARG 370.A O no hydrogen 3.194 N/A THR 373.A OG1 ARG 370.A O no hydrogen 2.798 N/A LYS 374.A NZ LEU 155.A O no hydrogen 2.609 N/A ASP 375.A N GLN 379.A O no hydrogen 2.641 N/A HIS 377.A N ASP 375.A OD1 no hydrogen 2.817 N/A GLY 378.A N ASP 375.A O no hydrogen 3.392 N/A GLN 379.A N ASP 375.A OD1 no hydrogen 2.796 N/A GLN 379.A NE2 ASP 375.A OD2 no hydrogen 2.839 N/A LYS 381.A N THR 373.A O no hydrogen 3.029 N/A LYS 381.A NZ GLU 45.A OE2 no hydrogen 3.505 N/A GLY 383.A N LEU 433.A O no hydrogen 2.964 N/A PHE 384.A N GLN 458.A O no hydrogen 3.026 N/A GLY 385.A N CYS 431.A O no hydrogen 2.777 N/A GLY 386.A N ILE 430.A O no hydrogen 2.690 N/A THR 387.A N GLN 456.A O no hydrogen 3.038 N/A LEU 388.A N TRP 428.A O no hydrogen 2.897 N/A GLU 389.A N VAL 454.A O no hydrogen 2.954 N/A ILE 390.A N CYS 426.A O no hydrogen 3.140 N/A LYS 391.A N GLN 452.A O no hydrogen 3.080 N/A LYS 391.A NZ ARG 65.A O no hydrogen 3.001 N/A LYS 391.A NZ GLU 389.A OE1 no hydrogen 3.167 N/A THR 392.A OG1 SER 393.A O no hydrogen 3.188 N/A THR 392.A OG1 ILE 396.A O no hydrogen 2.491 N/A SER 393.A N ALA 450.A O no hydrogen 3.095 N/A SER 393.A OG ALA 450.A O no hydrogen 3.097 N/A ARG 394.A NE GLU 395.A OE2 no hydrogen 3.481 N/A ILE 396.A N SER 393.A O no hydrogen 2.830 N/A LYS 397.A N GLU 444.A O no hydrogen 2.769 N/A LYS 397.A NZ PRO 413.A O no hydrogen 2.915 N/A ILE 398.A N CYS 414.A O no hydrogen 2.422 N/A SER 399.A N TYR 442.A O no hydrogen 2.645 N/A ALA 401.A N THR 422.A O no hydrogen 3.041 N/A ILE 402.A N ALA 440.A O no hydrogen 3.010 N/A CYS 405.A SG GLY 403.A O no hydrogen 3.279 N/A VAL 406.A N LYS 429.A O no hydrogen 3.111 N/A LEU 408.A N GLN 427.A O no hydrogen 3.096 N/A ASN 409.A N SER 407.A OG no hydrogen 2.890 N/A SER 410.A N THR 425.A OG1 no hydrogen 3.280 N/A SER 410.A OG GLN 427.A OE1 no hydrogen 3.167 N/A LYS 411.A NZ ASN 409.A OD1 no hydrogen 3.080 N/A LYS 411.A NZ GLY 424.A O no hydrogen 2.909 N/A VAL 415.A N GLY 412.A O no hydrogen 3.207 N/A SER 416.A N ILE 398.A O no hydrogen 2.841 N/A SER 416.A OG ASN 418.A O no hydrogen 2.906 N/A SER 416.A OG GLU 444.A OE1 no hydrogen 2.773 N/A THR 422.A N ALA 401.A O no hydrogen 2.780 N/A THR 425.A OG1 GLN 427.A O no hydrogen 2.790 N/A CYS 426.A N SER 410.A O no hydrogen 3.181 N/A CYS 426.A SG SER 410.A O no hydrogen 3.571 N/A CYS 426.A SG SER 410.A OG no hydrogen 3.701 N/A GLN 427.A N THR 425.A OG1 no hydrogen 2.944 N/A TRP 428.A N LEU 388.A O no hydrogen 2.948 N/A TRP 428.A NE1 THR 422.A O no hydrogen 2.854 N/A LYS 429.A N VAL 406.A O no hydrogen 2.804 N/A ILE 430.A N GLY 386.A O no hydrogen 2.806 N/A CYS 431.A SG ALA 321.A O no hydrogen 3.799 N/A LEU 433.A N GLY 383.A O no hydrogen 3.024 N/A SER 434.A N THR 437.A OG1 no hydrogen 2.615 N/A SER 434.A OG THR 437.A OG1 no hydrogen 3.284 N/A THR 437.A N SER 434.A O no hydrogen 2.758 N/A THR 437.A OG1 SER 434.A O no hydrogen 2.989 N/A THR 437.A OG1 SER 434.A OG no hydrogen 3.284 N/A THR 438.A OG1 THR 41.A OG1 no hydrogen 2.404 N/A THR 438.A OG1 THR 436.A O no hydrogen 2.714 N/A LEU 439.A N PHE 40.A O no hydrogen 2.866 N/A ALA 440.A N ILE 402.A O no hydrogen 3.001 N/A ILE 441.A N ALA 38.A O no hydrogen 2.970 N/A TYR 442.A N GLY 400.A O no hydrogen 2.916 N/A TYR 442.A OH LEU 497.A O no hydrogen 2.743 N/A PHE 443.A N VAL 36.A O no hydrogen 2.901 N/A VAL 446.A N GLU 395.A O no hydrogen 3.178 N/A GLY 449.A N ARG 473.A O no hydrogen 2.965 N/A ALA 450.A N SER 393.A OG no hydrogen 2.884 N/A ILE 451.A N ILE 471.A O no hydrogen 2.986 N/A GLN 452.A N LYS 391.A O no hydrogen 2.895 N/A GLN 452.A NE2 VAL 67.A O no hydrogen 2.944 N/A PHE 453.A N THR 469.A O no hydrogen 2.605 N/A VAL 454.A N GLU 389.A O no hydrogen 2.951 N/A THR 455.A N ARG 467.A O no hydrogen 2.649 N/A GLN 456.A N THR 387.A O no hydrogen 3.165 N/A TYR 457.A N ARG 465.A O no hydrogen 2.919 N/A TYR 457.A OH GLU 116.A OE2 no hydrogen 2.383 N/A GLN 458.A N PHE 384.A O no hydrogen 2.745 N/A SER 460.A OG PHE 380.A O no hydrogen 3.135 N/A SER 461.A OG SER 460.A O no hydrogen 2.289 N/A ARG 465.A N TYR 457.A O no hydrogen 3.079 N/A ILE 466.A N TYR 117.A O no hydrogen 2.998 N/A ARG 467.A N THR 455.A O no hydrogen 2.519 N/A ARG 467.A NH1 GLU 116.A OE2 no hydrogen 3.022 N/A VAL 468.A N ILE 115.A O no hydrogen 2.725 N/A THR 469.A N PHE 453.A O no hydrogen 2.720 N/A THR 470.A N SER 113.A O no hydrogen 3.017 N/A THR 470.A OG1 SER 113.A O no hydrogen 3.239 N/A ILE 471.A N ILE 451.A O no hydrogen 2.896 N/A ARG 473.A N GLY 449.A O no hydrogen 2.911 N/A ARG 473.A NE ASN 20.A OD1 no hydrogen 2.918 N/A ARG 473.A NH1 ALA 472.A O no hydrogen 2.478 N/A ALA 476.A N TRP 22.A O no hydrogen 2.989 N/A ASP 477.A N GLN 481.A OE1 no hydrogen 2.791 N/A GLN 479.A N ASP 477.A OD1 no hydrogen 3.307 N/A THR 480.A N ASP 477.A O no hydrogen 2.636 N/A GLN 481.A N ASP 477.A O no hydrogen 2.791 N/A GLN 483.A N GLN 483.A OE1 no hydrogen 2.336 N/A ILE 485.A N GLN 481.A O no hydrogen 3.293 N/A ALA 486.A N ILE 482.A O no hydrogen 2.691 N/A ALA 487.A N GLN 483.A O no hydrogen 2.959 N/A SER 488.A N ILE 485.A O no hydrogen 3.077 N/A SER 488.A OG ILE 485.A O no hydrogen 2.698 N/A PHE 489.A N ALA 486.A O no hydrogen 3.461 N/A ASP 490.A N SER 18.A O no hydrogen 2.853 N/A ALA 493.A N ASP 490.A OD1 no hydrogen 3.215 N/A ALA 494.A N ASP 490.A O no hydrogen 2.713 N/A ALA 495.A N GLN 491.A O no hydrogen 3.015 N/A ALA 495.A N GLU 492.A O no hydrogen 3.148 N/A ILE 496.A N GLU 492.A O no hydrogen 3.361 N/A LEU 497.A N ALA 493.A O no hydrogen 3.020 N/A MET 498.A N ALA 494.A O no hydrogen 3.201 N/A ALA 499.A N ALA 495.A O no hydrogen 3.016 N/A ARG 500.A N ILE 496.A O no hydrogen 2.556 N/A LEU 501.A N LEU 497.A O no hydrogen 3.127 N/A ALA 502.A N MET 498.A O no hydrogen 2.650 N/A ILE 503.A N ALA 499.A O no hydrogen 2.901 N/A TYR 504.A N ARG 500.A O no hydrogen 3.337 N/A ARG 505.A N LEU 501.A O no hydrogen 3.016 N/A ALA 506.A N ILE 503.A O no hydrogen 2.945 N/A GLU 507.A N ILE 503.A O no hydrogen 3.367 N/A THR 508.A OG1 ARG 505.A O no hydrogen 2.607 N/A THR 508.A OG1 GLU 510.A OE1 no hydrogen 2.808 N/A VAL 514.A N GLY 511.A O no hydrogen 3.047 N/A ARG 516.A NH1 ASP 513.A OD1 no hydrogen 3.411 N/A TRP 517.A N ASP 513.A O no hydrogen 2.662 N/A LEU 518.A N VAL 514.A O no hydrogen 2.517 N/A ASP 519.A N LEU 515.A O no hydrogen 2.988 N/A ARG 520.A N ARG 516.A O no hydrogen 3.135 N/A ARG 520.A NE GLN 521.A OE1 no hydrogen 3.168 N/A ARG 520.A NH2 GLN 521.A OE1 no hydrogen 3.288 N/A GLN 521.A N TRP 517.A O no hydrogen 3.139 N/A LEU 522.A N LEU 518.A O no hydrogen 3.313 N/A ILE 523.A N ASP 519.A O no hydrogen 2.883 N/A ARG 524.A N ARG 520.A O no hydrogen 3.162 N/A LEU 525.A N GLN 521.A O no hydrogen 2.811 N/A CYS 526.A N LEU 522.A O no hydrogen 3.228 N/A CYS 526.A SG LEU 522.A O no hydrogen 3.316 N/A GLN 527.A N ILE 523.A O no hydrogen 3.093 N/A GLN 527.A NE2 SER 714.A O no hydrogen 3.436 N/A LYS 528.A N ARG 524.A O no hydrogen 3.207 N/A PHE 529.A N LEU 525.A O no hydrogen 3.156 N/A GLU 531.A N ARG 541.A O no hydrogen 3.410 N/A TYR 532.A OH GLN 527.A O no hydrogen 2.919 N/A HIS 533.A N SER 539.A OG no hydrogen 3.375 N/A LYS 534.A NZ ASP 535.A OD2 no hydrogen 3.568 N/A LYS 534.A NZ VAL 713.A O no hydrogen 3.222 N/A ASP 535.A N VAL 713.A O no hydrogen 2.613 N/A ASP 536.A N HIS 533.A O no hydrogen 3.264 N/A SER 539.A N ASP 536.A O no hydrogen 3.141 N/A SER 539.A N ASP 536.A OD1 no hydrogen 3.199 N/A SER 539.A OG HIS 533.A O no hydrogen 3.524 N/A SER 539.A OG ASP 536.A O no hydrogen 2.451 N/A PHE 540.A N PRO 537.A O no hydrogen 3.151 N/A ARG 541.A N GLU 531.A O no hydrogen 2.911 N/A THR 545.A N SER 543.A OG no hydrogen 3.331 N/A PHE 546.A N SER 543.A O no hydrogen 2.987 N/A SER 547.A N SER 543.A O no hydrogen 2.895 N/A LEU 548.A N GLN 491.A OE1 no hydrogen 3.351 N/A TYR 549.A N PHE 546.A O no hydrogen 2.846 N/A PHE 552.A N LEU 548.A O no hydrogen 3.079 N/A MET 553.A N TYR 549.A O no hydrogen 3.064 N/A PHE 554.A N PRO 550.A O no hydrogen 2.979 N/A HIS 555.A N GLN 551.A O no hydrogen 3.210 N/A HIS 555.A ND1 GLN 551.A O no hydrogen 3.187 N/A LEU 556.A N PHE 552.A O no hydrogen 3.037 N/A LEU 556.A N MET 553.A O no hydrogen 3.176 N/A ARG 557.A N MET 553.A O no hydrogen 2.976 N/A ARG 557.A NE ASP 519.A OD1 no hydrogen 3.010 N/A ARG 557.A NH1 THR 696.A O no hydrogen 3.550 N/A ARG 557.A NH2 ASP 519.A OD1 no hydrogen 3.474 N/A ARG 557.A NH2 ASP 519.A OD2 no hydrogen 2.524 N/A ARG 558.A NH2 SER 690.A O no hydrogen 2.752 N/A SER 559.A N LEU 556.A O no hydrogen 2.999 N/A SER 559.A OG LEU 556.A O no hydrogen 2.967 N/A PHE 561.A N SER 559.A OG no hydrogen 3.040 N/A GLN 563.A N SER 559.A O no hydrogen 3.100 N/A ASN 567.A N VAL 564.A O no hydrogen 2.755 N/A ASN 567.A ND2 GLU 571.A OE1 no hydrogen 3.274 N/A SER 568.A N GLU 571.A OE1 no hydrogen 3.351 N/A GLU 571.A N SER 568.A OG no hydrogen 3.169 N/A SER 572.A N SER 568.A O no hydrogen 2.989 N/A SER 572.A OG SER 568.A O no hydrogen 3.478 N/A SER 573.A N PRO 569.A O no hydrogen 3.177 N/A SER 573.A OG PRO 569.A O no hydrogen 2.931 N/A TYR 574.A N ASP 570.A O no hydrogen 2.857 N/A TYR 575.A N GLU 571.A O no hydrogen 2.905 N/A ARG 576.A N SER 572.A O no hydrogen 3.093 N/A ARG 576.A NE PHE 561.A O no hydrogen 3.328 N/A ARG 576.A NH2 PHE 561.A O no hydrogen 3.492 N/A HIS 577.A N SER 573.A O no hydrogen 3.079 N/A HIS 577.A ND1 ASN 347.A OD1 no hydrogen 2.696 N/A HIS 578.A N TYR 575.A O no hydrogen 3.164 N/A PHE 579.A N TYR 575.A O no hydrogen 3.070 N/A MET 580.A N ARG 576.A O no hydrogen 3.326 N/A ARG 581.A N HIS 578.A O no hydrogen 3.018 N/A ARG 581.A NH2 PRO 346.A O no hydrogen 3.189 N/A GLN 582.A N PHE 579.A O no hydrogen 3.407 N/A GLN 586.A N ASP 583.A OD1 no hydrogen 3.202 N/A SER 587.A N ASP 583.A O no hydrogen 3.047 N/A SER 587.A OG ASP 583.A O no hydrogen 2.282 N/A LEU 588.A N LEU 584.A O no hydrogen 2.849 N/A ILE 589.A N THR 585.A O no hydrogen 3.285 N/A MET 590.A N GLN 586.A O no hydrogen 3.128 N/A ILE 591.A N SER 587.A O no hydrogen 3.285 N/A GLN 592.A N LEU 588.A O no hydrogen 2.978 N/A ILE 594.A N ASP 623.A O no hydrogen 3.066 N/A TYR 596.A N LEU 621.A O no hydrogen 2.917 N/A ALA 597.A N GLU 605.A O no hydrogen 3.200 N/A TYR 598.A N ILE 619.A O no hydrogen 2.816 N/A TYR 598.A OH ASP 661.A OD2 no hydrogen 2.833 N/A SER 599.A OG SER 601.A OG no hydrogen 3.415 N/A SER 601.A OG SER 599.A OG no hydrogen 3.415 N/A GLU 605.A N ALA 597.A O no hydrogen 3.341 N/A VAL 607.A N LEU 595.A O no hydrogen 2.761 N/A ASP 610.A N LEU 608.A O no hydrogen 2.811 N/A SER 611.A OG ASP 610.A OD1 no hydrogen 3.133 N/A SER 613.A N ASP 610.A O no hydrogen 3.095 N/A SER 613.A OG LEU 608.A O no hydrogen 2.730 N/A SER 613.A OG ASP 610.A O no hydrogen 3.547 N/A ILE 614.A N SER 611.A O no hydrogen 3.200 N/A ARG 618.A N LEU 615.A O no hydrogen 3.290 N/A ARG 618.A NE SER 613.A O no hydrogen 3.400 N/A ARG 618.A NH2 SER 613.A O no hydrogen 3.402 N/A ILE 619.A N TYR 598.A O no hydrogen 3.062 N/A LEU 620.A N TYR 631.A O no hydrogen 2.794 N/A LEU 621.A N TYR 596.A O no hydrogen 2.896 N/A MET 622.A N LEU 629.A O no hydrogen 2.873 N/A ASP 623.A N ILE 594.A O no hydrogen 2.793 N/A GLN 627.A N THR 624.A O no hydrogen 3.258 N/A ILE 628.A N ARG 674.A O no hydrogen 2.706 N/A LEU 629.A N MET 622.A O no hydrogen 3.191 N/A ILE 630.A N ILE 676.A O no hydrogen 2.778 N/A TYR 631.A N LEU 620.A O no hydrogen 2.795 N/A HIS 632.A N THR 678.A O no hydrogen 3.324 N/A GLY 633.A N ARG 618.A O no hydrogen 2.898 N/A ALA 636.A N GLY 633.A O no hydrogen 2.709 N/A GLN 637.A N GLU 634.A O no hydrogen 3.344 N/A ARG 639.A N ILE 635.A O no hydrogen 2.804 N/A LYS 640.A N ALA 636.A O no hydrogen 2.848 N/A SER 641.A N GLN 637.A O no hydrogen 2.956 N/A GLY 642.A N ARG 639.A O no hydrogen 2.996 N/A MET 645.A N TYR 643.A O no hydrogen 2.608 N/A TYR 648.A N MET 645.A O no hydrogen 3.276 N/A ARG 652.A N TYR 648.A O no hydrogen 3.348 N/A HIS 653.A N GLU 649.A O no hydrogen 3.328 N/A HIS 653.A ND1 GLU 649.A O no hydrogen 2.484 N/A LEU 654.A N ASN 650.A O no hydrogen 2.932 N/A LEU 655.A N PHE 651.A O no hydrogen 3.231 N/A GLN 656.A N ARG 652.A O no hydrogen 3.215 N/A GLN 656.A NE2 ASP 660.A OD1 no hydrogen 2.436 N/A ALA 657.A N HIS 653.A O no hydrogen 2.711 N/A ASP 660.A N GLN 656.A O no hydrogen 2.966 N/A ALA 662.A N PRO 658.A O no hydrogen 2.996 N/A GLN 663.A N VAL 659.A O no hydrogen 2.953 N/A ILE 665.A N ASP 661.A O no hydrogen 3.215 N/A LEU 666.A N ALA 662.A O no hydrogen 2.988 N/A HIS 667.A N GLU 664.A O no hydrogen 3.420 N/A HIS 667.A ND1 GLN 663.A O no hydrogen 2.615 N/A SER 668.A N GLU 664.A O no hydrogen 3.364 N/A SER 668.A OG GLU 664.A O no hydrogen 3.295 N/A SER 668.A OG ILE 665.A O no hydrogen 3.461 N/A ARG 669.A N ILE 665.A O no hydrogen 3.290 N/A ARG 669.A NH1 ASP 623.A OD1 no hydrogen 2.810 N/A ARG 669.A NH1 PHE 625.A O no hydrogen 2.981 N/A ARG 669.A NH2 ASP 623.A OD2 no hydrogen 3.181 N/A ARG 674.A N PHE 626.A O no hydrogen 2.997 N/A ILE 676.A N ILE 628.A O no hydrogen 2.843 N/A THR 678.A N ILE 630.A O no hydrogen 2.939 N/A GLU 679.A N THR 678.A OG1 no hydrogen 2.819 N/A HIS 680.A N HIS 632.A O no hydrogen 3.042 N/A GLY 682.A N GLU 679.A O no hydrogen 3.088 N/A ALA 685.A N GLY 682.A O no hydrogen 3.280 N/A PHE 687.A N GLN 684.A O no hydrogen 3.330 N/A LEU 688.A N ALA 685.A O no hydrogen 3.166 N/A LEU 689.A N ALA 685.A O no hydrogen 3.359 N/A SER 690.A N ARG 686.A O no hydrogen 3.324 N/A SER 690.A OG ARG 686.A O no hydrogen 2.945 N/A VAL 692.A N LEU 689.A O no hydrogen 3.075 N/A THR 696.A OG1 ASP 697.A O no hydrogen 3.358 N/A VAL 699.A N ASP 697.A O no hydrogen 2.595 N/A GLN 702.A NE2 ASP 706.A OD1 no hydrogen 3.289 N/A GLN 702.A NE2 ASP 706.A OD2 no hydrogen 3.562 N/A PHE 704.A N SER 700.A O no hydrogen 3.117 N/A MET 705.A N LEU 701.A O no hydrogen 3.224 N/A ASP 706.A N GLN 702.A O no hydrogen 3.085 N/A HIS 707.A N VAL 703.A O no hydrogen 3.041 N/A LEU 708.A N PHE 704.A O no hydrogen 3.094 N/A LYS 709.A N MET 705.A O no hydrogen 2.502 N/A LYS 710.A N ASP 706.A O no hydrogen 3.095 N/A LEU 711.A N HIS 707.A O no hydrogen 3.349 N/A ALA 712.A N LEU 708.A O no hydrogen 3.248 N/A SER 714.A N LEU 711.A O no hydrogen 3.292 N/A SER 714.A OG LEU 711.A O no hydrogen 3.348 N/A