Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wpe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N ASP 15.A O no hydrogen 2.883 N/A GLN 9.A N GLN 13.A O no hydrogen 2.978 N/A GLN 13.A N PRO 10.A O no hydrogen 3.386 N/A VAL 14.A N SER 38.A O no hydrogen 2.887 N/A ASP 15.A N GLU 7.A O no hydrogen 2.847 N/A CYS 16.A N SER 40.A O no hydrogen 2.872 N/A ASN 17.A N ASP 15.A OD1 no hydrogen 2.884 N/A TRP 18.A N ILE 42.A O no hydrogen 2.903 N/A HIS 26.A NE2 ASP 53.A OD1 no hydrogen 3.164 N/A ALA 31.A N SER 28.A O no hydrogen 3.430 N/A ARG 33.A N ALA 31.A O no hydrogen 2.870 N/A ARG 33.A NE HIS 26.A O no hydrogen 3.386 N/A ARG 33.A NH2 HIS 26.A O no hydrogen 2.795 N/A ASN 35.A N PRO 32.A O no hydrogen 3.089 N/A THR 37.A N GLY 12.A O no hydrogen 2.786 N/A SER 38.A N GLY 12.A O no hydrogen 3.236 N/A LEU 39.A N VAL 62.A O no hydrogen 2.980 N/A SER 40.A N VAL 14.A O no hydrogen 3.123 N/A SER 40.A OG ASN 17.A OD1 no hydrogen 2.521 N/A LEU 41.A N ASN 64.A O no hydrogen 2.767 N/A ILE 42.A N ASN 17.A OD1 no hydrogen 2.816 N/A SER 43.A N LYS 66.A O no hydrogen 2.891 N/A ASN 44.A ND2 CYS 16.A O no hydrogen 3.313 N/A ARG 45.A N LEU 21.A O no hydrogen 2.679 N/A ILE 46.A N ASN 68.A OD1 no hydrogen 2.876 N/A HIS 48.A ND1 THR 84.A OG1 no hydrogen 2.444 N/A LEU 49.A N THR 84.A O no hydrogen 2.924 N/A HIS 50.A N ASP 53.A OD2 no hydrogen 2.685 N/A ASP 51.A N GLU 86.A OE1 no hydrogen 2.764 N/A ASP 53.A N HIS 50.A O no hydrogen 3.035 N/A LEU 57.A N PHE 54.A O no hydrogen 3.127 N/A SER 58.A OG HIS 56.A O no hydrogen 3.364 N/A ARG 61.A N THR 37.A O no hydrogen 2.988 N/A VAL 62.A N THR 37.A O no hydrogen 3.152 N/A LEU 63.A N GLU 98.A O no hydrogen 2.678 N/A ASN 64.A N LEU 39.A O no hydrogen 3.046 N/A LEU 65.A N ASN 100.A O no hydrogen 2.932 N/A LYS 66.A N ASN 64.A OD1 no hydrogen 2.954 N/A TRP 67.A N SER 102.A O no hydrogen 3.235 N/A ASN 68.A ND2 LEU 41.A O no hydrogen 2.783 N/A ASN 68.A ND2 LEU 65.A O no hydrogen 3.241 N/A LEU 74.A N PRO 71.A O no hydrogen 2.852 N/A SER 75.A N PRO 71.A O no hydrogen 2.874 N/A HIS 78.A N SER 75.A O no hydrogen 2.739 N/A HIS 78.A ND1 ALA 72.A O no hydrogen 2.815 N/A PHE 79.A N SER 75.A OG no hydrogen 2.769 N/A MET 83.A N GLY 105.A O no hydrogen 2.939 N/A THR 84.A N HIS 47.A O no hydrogen 3.111 N/A THR 84.A OG1 HIS 47.A O no hydrogen 3.553 N/A THR 84.A OG1 HIS 48.A ND1 no hydrogen 2.444 N/A GLU 86.A N LEU 49.A O no hydrogen 3.090 N/A THR 89.A N GLU 86.A O no hydrogen 3.128 N/A THR 89.A OG1 GLU 86.A O no hydrogen 2.685 N/A ALA 92.A N ASN 88.A O no hydrogen 2.940 N/A VAL 93.A N PHE 90.A O no hydrogen 2.847 N/A THR 95.A OG1 SER 58.A O no hydrogen 3.334 N/A THR 95.A OG1 LEU 60.A O no hydrogen 2.911 N/A LEU 96.A N VAL 93.A O no hydrogen 3.230 N/A GLU 97.A N ARG 61.A O no hydrogen 2.797 N/A GLU 98.A N ARG 61.A O no hydrogen 2.740 N/A LEU 99.A N SER 118.A O no hydrogen 3.014 N/A ASN 100.A N LEU 63.A O no hydrogen 3.072 N/A LEU 101.A N SER 120.A O no hydrogen 2.891 N/A SER 102.A N ASN 100.A OD1 no hydrogen 2.943 N/A SER 102.A OG ASN 100.A OD1 no hydrogen 2.592 N/A TYR 103.A N SER 122.A O no hydrogen 3.083 N/A GLY 105.A N CYS 69.A O no hydrogen 2.818 N/A ILE 106.A N ASN 104.A O no hydrogen 2.799 N/A THR 108.A OG1 HIS 133.A NE2 no hydrogen 3.123 N/A SER 115.A OG PRO 94.A O no hydrogen 2.839 N/A SER 115.A OG LEU 96.A O no hydrogen 2.809 N/A LEU 116.A N PRO 113.A O no hydrogen 3.309 N/A VAL 117.A N GLU 97.A O no hydrogen 2.846 N/A SER 118.A N GLU 97.A O no hydrogen 2.994 N/A LEU 119.A N PHE 142.A O no hydrogen 2.916 N/A SER 120.A N LEU 99.A O no hydrogen 2.952 N/A LEU 121.A N TYR 144.A O no hydrogen 2.748 N/A HIS 123.A N ASP 146.A O no hydrogen 2.753 N/A THR 124.A N ASN 148.A OD1 no hydrogen 2.922 N/A THR 124.A OG1 LEU 121.A O no hydrogen 2.621 N/A SER 125.A N ILE 106.A O no hydrogen 2.972 N/A LEU 129.A N GLU 160.A O no hydrogen 2.800 N/A GLY 130.A N HIS 133.A ND1 no hydrogen 3.262 N/A PHE 134.A N PRO 131.A O no hydrogen 3.131 N/A THR 135.A OG1 THR 132.A O no hydrogen 2.682 N/A LEU 140.A N LEU 137.A O no hydrogen 3.323 N/A ARG 141.A N VAL 117.A O no hydrogen 2.695 N/A PHE 142.A N VAL 117.A O no hydrogen 3.070 N/A LEU 143.A N HIS 174.A O no hydrogen 3.018 N/A TYR 144.A N LEU 119.A O no hydrogen 2.928 N/A MET 145.A N SER 176.A O no hydrogen 2.963 N/A ASP 146.A N SER 122.A OG no hydrogen 2.883 N/A GLY 147.A N LYS 178.A O no hydrogen 2.629 N/A ASN 148.A N ASN 180.A OD1 no hydrogen 2.751 N/A ASN 148.A ND2 LEU 121.A O no hydrogen 3.698 N/A ASN 148.A ND2 THR 124.A OG1 no hydrogen 2.994 N/A ASN 148.A ND2 ILE 126.A O no hydrogen 3.050 N/A CYS 149.A N TYR 179.A O no hydrogen 3.218 N/A CYS 149.A SG CYS 155.A O no hydrogen 3.405 N/A CYS 149.A SG ARG 157.A O no hydrogen 3.462 N/A TYR 150.A N ASN 153.A O no hydrogen 3.019 N/A TYR 150.A OH HIS 123.A NE2 no hydrogen 2.958 N/A ASN 153.A N TYR 150.A O no hydrogen 2.749 N/A ASN 153.A ND2 THR 124.A O no hydrogen 3.063 N/A ASN 153.A ND2 GLY 147.A O no hydrogen 3.138 N/A LEU 159.A N ASN 180.A O no hydrogen 3.212 N/A GLU 160.A N LEU 127.A O no hydrogen 2.813 N/A ALA 162.A N LEU 129.A O no hydrogen 3.163 N/A GLY 164.A N ARG 187.A O no hydrogen 2.947 N/A ALA 165.A N ALA 162.A O no hydrogen 3.134 N/A LEU 167.A N GLY 164.A O no hydrogen 3.136 N/A LEU 169.A N LEU 166.A O no hydrogen 2.966 N/A ASN 171.A ND2 HIS 138.A O no hydrogen 2.894 N/A LEU 172.A N LEU 169.A O no hydrogen 3.485 N/A THR 173.A N ARG 141.A O no hydrogen 2.890 N/A THR 173.A OG1 ARG 141.A O no hydrogen 3.189 N/A HIS 174.A N ARG 141.A O no hydrogen 3.129 N/A LEU 175.A N THR 195.A O no hydrogen 3.011 N/A SER 176.A N LEU 143.A O no hydrogen 3.168 N/A SER 176.A OG ASP 146.A OD1 no hydrogen 2.642 N/A SER 176.A OG ASP 146.A OD2 no hydrogen 3.055 N/A LEU 177.A N LEU 197.A O no hydrogen 2.795 N/A LYS 178.A N ASP 146.A OD1 no hydrogen 2.830 N/A TYR 179.A N SER 199.A O no hydrogen 3.394 N/A ASN 180.A N ASN 201.A OD1 no hydrogen 2.763 N/A ASN 180.A ND2 MET 145.A O no hydrogen 2.882 N/A ASN 181.A ND2 ARG 157.A O no hydrogen 2.730 N/A LEU 182.A N ASN 201.A OD1 no hydrogen 3.085 N/A SER 192.A OG GLY 170.A O no hydrogen 3.400 N/A SER 192.A OG LEU 172.A O no hydrogen 2.625 N/A LEU 193.A N PRO 190.A O no hydrogen 3.270 N/A ASP 194.A N THR 173.A O no hydrogen 2.769 N/A THR 195.A N THR 173.A O no hydrogen 2.939 N/A THR 195.A OG1 ASP 194.A OD1 no hydrogen 2.638 N/A LEU 196.A N VAL 219.A O no hydrogen 3.092 N/A LEU 197.A N LEU 175.A O no hydrogen 2.940 N/A LEU 198.A N ASP 221.A O no hydrogen 2.876 N/A SER 199.A OG ASP 221.A OD2 no hydrogen 3.274 N/A TYR 200.A N GLY 223.A O no hydrogen 2.878 N/A ASN 201.A ND2 LEU 177.A O no hydrogen 2.735 N/A ASN 201.A ND2 LEU 198.A O no hydrogen 3.082 N/A HIS 202.A N LEU 182.A O no hydrogen 2.823 N/A ILE 203.A N ASN 225.A OD1 no hydrogen 2.673 N/A LEU 206.A N LYS 245.A O no hydrogen 2.977 N/A ALA 207.A N ASP 210.A OD2 no hydrogen 3.111 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.870 N/A ASP 210.A N ALA 207.A O no hydrogen 3.008 N/A LEU 211.A N PRO 208.A O no hydrogen 3.066 N/A LEU 214.A N LEU 211.A O no hydrogen 3.457 N/A LEU 217.A N LEU 214.A O no hydrogen 3.380 N/A ARG 218.A N ASP 194.A O no hydrogen 2.614 N/A VAL 219.A N ASP 194.A O no hydrogen 2.891 N/A LEU 220.A N GLY 259.A O no hydrogen 2.845 N/A ASP 221.A N LEU 196.A O no hydrogen 3.169 N/A VAL 222.A N VAL 261.A O no hydrogen 3.074 N/A GLY 223.A N ASP 221.A OD1 no hydrogen 3.234 N/A GLY 224.A N LYS 263.A O no hydrogen 2.986 N/A ASN 225.A ND2 LEU 198.A O no hydrogen 3.112 N/A ASN 225.A ND2 VAL 222.A O no hydrogen 2.877 N/A ASN 225.A ND2 GLY 223.A O no hydrogen 3.242 N/A CYS 226.A SG SER 265.A O no hydrogen 3.761 N/A ARG 227.A NE ASP 264.A OD2 no hydrogen 2.772 N/A ARG 227.A NH1 ASN 234.A OD1 no hydrogen 3.306 N/A ARG 227.A NH2 ASN 234.A OD1 no hydrogen 3.285 N/A ARG 228.A N ASP 264.A OD1 no hydrogen 2.794 N/A ARG 228.A NE ASP 230.A OD1 no hydrogen 3.024 N/A ARG 228.A NH1 ASN 289.A O no hydrogen 2.666 N/A ARG 228.A NH1 TYR 316.A O no hydrogen 2.978 N/A ARG 228.A NH2 ASP 230.A OD2 no hydrogen 2.942 N/A ARG 228.A NH2 TYR 316.A O no hydrogen 3.063 N/A CYS 229.A N GLU 238.A OE1 no hydrogen 2.682 N/A CYS 229.A SG GLU 238.A OE1 no hydrogen 3.245 N/A HIS 231.A N ARG 228.A O no hydrogen 3.308 N/A ALA 232.A N CYS 229.A O no hydrogen 3.219 N/A ASN 234.A ND2 TYR 151.A OH no hydrogen 3.437 N/A CYS 239.A N ARG 227.A O no hydrogen 3.270 N/A CYS 239.A SG PRO 240.A O no hydrogen 3.958 N/A LYS 245.A N VAL 204.A O no hydrogen 3.208 N/A THR 250.A N HIS 247.A O no hydrogen 2.815 N/A THR 250.A OG1 LEU 206.A O no hydrogen 3.379 N/A THR 250.A OG1 HIS 247.A O no hydrogen 2.774 N/A SER 252.A N ASP 249.A O no hydrogen 3.268 N/A SER 252.A OG ASP 249.A O no hydrogen 2.791 N/A HIS 253.A NE2 LEU 211.A O no hydrogen 2.699 N/A LEU 254.A N PHE 251.A O no hydrogen 2.915 N/A LEU 257.A N LEU 254.A O no hydrogen 3.206 N/A GLU 258.A N ARG 218.A O no hydrogen 2.662 N/A GLY 259.A N ARG 218.A O no hydrogen 2.968 N/A LEU 260.A N VAL 283.A O no hydrogen 3.115 N/A VAL 261.A N LEU 220.A O no hydrogen 2.916 N/A LEU 262.A N ASP 285.A O no hydrogen 2.812 N/A LYS 263.A NZ TYR 200.A OH no hydrogen 3.179 N/A ASP 264.A N SER 287.A O no hydrogen 2.861 N/A SER 265.A OG LEU 262.A O no hydrogen 2.961 N/A SER 265.A OG LYS 263.A O no hydrogen 2.846 N/A SER 266.A OG CYS 226.A O no hydrogen 2.748 N/A TRP 274.A N GLU 271.A O no hydrogen 3.013 N/A PHE 275.A N LYS 272.A O no hydrogen 2.685 N/A ARG 276.A N LYS 272.A O no hydrogen 2.983 N/A LEU 278.A N PHE 275.A O no hydrogen 2.804 N/A ARG 280.A NH1 SER 255.A O no hydrogen 3.140 N/A GLN 282.A N GLU 258.A O no hydrogen 2.650 N/A VAL 283.A N GLU 258.A O no hydrogen 3.016 N/A LEU 284.A N ARG 309.A O no hydrogen 2.981 N/A ASP 285.A N LEU 260.A O no hydrogen 3.114 N/A LEU 286.A N ASN 311.A O no hydrogen 2.760 N/A SER 287.A N ASP 285.A OD1 no hydrogen 3.030 N/A SER 287.A OG ASP 285.A OD1 no hydrogen 2.531 N/A SER 287.A OG ASP 285.A OD2 no hydrogen 3.501 N/A GLU 288.A N SER 313.A O no hydrogen 2.777 N/A PHE 290.A N LEU 267.A O no hydrogen 2.606 N/A LEU 291.A N ASN 315.A OD1 no hydrogen 2.764 N/A ILE 295.A N LEU 291.A O no hydrogen 3.103 N/A THR 296.A N ASP 293.A O no hydrogen 3.247 N/A THR 296.A OG1 ASP 293.A O no hydrogen 2.600 N/A LYS 297.A N TYR 294.A O no hydrogen 3.284 N/A THR 298.A N TYR 294.A O no hydrogen 2.787 N/A ILE 300.A N THR 298.A OG1 no hydrogen 3.017 N/A LEU 307.A N LEU 304.A O no hydrogen 3.359 N/A ARG 308.A N GLN 282.A O no hydrogen 2.617 N/A ARG 309.A N GLN 282.A O no hydrogen 2.996 N/A LEU 310.A N LYS 339.A O no hydrogen 2.960 N/A ASN 311.A N LEU 284.A O no hydrogen 2.989 N/A LEU 312.A N ASP 341.A O no hydrogen 2.826 N/A SER 313.A N ASN 311.A OD1 no hydrogen 3.005 N/A SER 313.A OG ASN 311.A OD1 no hydrogen 2.592 N/A PHE 314.A N HIS 343.A O no hydrogen 2.828 N/A ASN 315.A ND2 LEU 286.A O no hydrogen 2.912 N/A ASN 315.A ND2 LEU 312.A O no hydrogen 2.955 N/A ASN 315.A ND2 SER 313.A O no hydrogen 3.235 N/A TYR 316.A OH ASP 230.A OD2 no hydrogen 3.276 N/A LYS 319.A N HIS 317.A ND1 no hydrogen 3.481 N/A PHE 322.A N PHE 346.A O no hydrogen 2.999 N/A LEU 327.A N THR 354.A O no hydrogen 3.384 N/A ALA 328.A N ILE 295.A O no hydrogen 2.950 N/A SER 330.A OG THR 298.A O no hydrogen 2.534 N/A PHE 331.A N ALA 328.A O no hydrogen 3.239 N/A GLY 332.A N SER 329.A O no hydrogen 3.068 N/A SER 333.A OG ASN 302.A OD1 no hydrogen 2.690 N/A SER 333.A OG SER 330.A O no hydrogen 3.257 N/A SER 336.A OG THR 305.A O no hydrogen 2.538 N/A GLU 338.A N ARG 308.A O no hydrogen 2.691 N/A LYS 339.A N ARG 308.A O no hydrogen 3.088 N/A LEU 340.A N SER 366.A O no hydrogen 2.967 N/A ASP 341.A N LEU 310.A O no hydrogen 3.024 N/A MET 342.A N HIS 368.A O no hydrogen 2.787 N/A HIS 343.A N ASP 341.A OD1 no hydrogen 3.318 N/A HIS 343.A ND1 ASP 341.A OD1 no hydrogen 2.402 N/A GLY 344.A N GLN 370.A O no hydrogen 3.321 N/A PHE 347.A N ASN 372.A O no hydrogen 2.887 N/A ARG 348.A N PHE 322.A O no hydrogen 3.008 N/A ARG 348.A NH1 SER 321.A OG no hydrogen 2.891 N/A LEU 350.A N GLN 376.A O no hydrogen 2.794 N/A THR 351.A N THR 354.A OG1 no hydrogen 3.066 N/A THR 351.A OG1 GLN 378.A OE1 no hydrogen 3.395 N/A ASN 352.A N GLN 378.A OE1 no hydrogen 2.875 N/A ILE 353.A N THR 351.A OG1 no hydrogen 3.080 N/A THR 354.A OG1 LEU 325.A O no hydrogen 3.407 N/A GLN 356.A N ILE 353.A O no hydrogen 3.055 N/A SER 357.A OG LEU 327.A O no hydrogen 3.098 N/A SER 357.A OG ALA 328.A O no hydrogen 3.083 N/A LEU 358.A N LEU 355.A O no hydrogen 3.060 N/A THR 359.A N GLN 356.A O no hydrogen 3.271 N/A THR 359.A OG1 LEU 355.A O no hydrogen 3.412 N/A THR 359.A OG1 GLN 356.A O no hydrogen 3.292 N/A LEU 361.A N LEU 358.A O no hydrogen 3.251 N/A GLN 365.A N GLU 338.A O no hydrogen 3.006 N/A SER 366.A N GLU 338.A O no hydrogen 3.100 N/A LEU 367.A N PHE 390.A O no hydrogen 2.902 N/A HIS 368.A N LEU 340.A O no hydrogen 2.909 N/A LEU 369.A N ASP 392.A O no hydrogen 2.747 N/A GLN 370.A N GLN 370.A OE1 no hydrogen 2.667 N/A LEU 371.A N SER 394.A O no hydrogen 3.321 N/A ASN 372.A ND2 MET 342.A O no hydrogen 3.308 N/A ASN 375.A N ARG 348.A O no hydrogen 2.715 N/A GLN 376.A N ARG 348.A O no hydrogen 3.245 N/A GLN 378.A N LEU 350.A O no hydrogen 2.966 N/A ILE 381.A N GLN 378.A O no hydrogen 3.377 N/A PHE 382.A N LEU 379.A O no hydrogen 3.239 N/A GLY 383.A N SER 380.A O no hydrogen 2.984 N/A ALA 384.A N ILE 381.A O no hydrogen 3.090 N/A PHE 385.A N PHE 382.A O no hydrogen 3.388 N/A SER 387.A OG PRO 362.A O no hydrogen 2.179 N/A LEU 389.A N GLN 365.A O no hydrogen 2.766 N/A PHE 390.A N GLN 365.A O no hydrogen 2.873 N/A VAL 391.A N THR 406.A O no hydrogen 2.945 N/A ASP 392.A N LEU 367.A O no hydrogen 3.072 N/A LEU 393.A N ASP 408.A O no hydrogen 2.816 N/A SER 394.A N ASP 392.A OD1 no hydrogen 3.058 N/A SER 394.A OG ASP 392.A OD1 no hydrogen 2.878 N/A ASP 395.A N SER 410.A O no hydrogen 2.992 N/A ARG 397.A N ILE 374.A O no hydrogen 2.853 N/A ARG 397.A NE PHE 373.A O no hydrogen 3.381 N/A ARG 397.A NH2 PHE 373.A O no hydrogen 3.269 N/A ILE 398.A N ASN 412.A OD1 no hydrogen 2.606 N/A SER 399.A N ASN 375.A O no hydrogen 3.195 N/A CYS 401.A N SER 400.A OG no hydrogen 2.503 N/A THR 406.A N LEU 389.A O no hydrogen 2.734 N/A THR 406.A OG1 CYS 401.A O no hydrogen 3.409 N/A THR 406.A OG1 ASN 404.A O no hydrogen 3.056 N/A LEU 407.A N CYS 430.A O no hydrogen 3.019 N/A ASP 408.A N VAL 391.A O no hydrogen 2.921 N/A LEU 409.A N ARG 432.A O no hydrogen 2.766 N/A SER 410.A N ASP 408.A OD1 no hydrogen 2.826 N/A SER 410.A OG ASP 408.A OD1 no hydrogen 2.769 N/A ARG 411.A N SER 434.A O no hydrogen 2.878 N/A ASN 412.A ND2 LEU 393.A O no hydrogen 3.058 N/A ASN 412.A ND2 LEU 409.A O no hydrogen 2.764 N/A ASN 412.A ND2 SER 410.A O no hydrogen 3.387 N/A ASN 413.A N ILE 398.A O no hydrogen 3.067 N/A LEU 414.A N ASN 436.A OD1 no hydrogen 3.130 N/A ILE 417.A N GLN 440.A OE1 no hydrogen 2.790 N/A GLN 418.A NE2 THR 416.A OG1 no hydrogen 3.411 N/A GLU 420.A N GLU 420.A OE1 no hydrogen 2.748 N/A MET 421.A N GLN 418.A O no hydrogen 3.049 N/A PHE 422.A N GLN 419.A O no hydrogen 3.124 N/A THR 423.A OG1 GLU 420.A O no hydrogen 3.569 N/A LEU 425.A N PHE 422.A O no hydrogen 3.072 N/A ARG 427.A NH1 LEU 388.A O no hydrogen 3.014 N/A ARG 427.A NH2 LEU 388.A O no hydrogen 2.844 N/A LEU 428.A N LEU 425.A O no hydrogen 3.009 N/A GLN 429.A N PHE 405.A O no hydrogen 3.014 N/A CYS 430.A N PHE 405.A O no hydrogen 3.150 N/A LEU 431.A N VAL 455.A O no hydrogen 2.902 N/A ARG 432.A N LEU 407.A O no hydrogen 3.023 N/A LEU 433.A N ASP 457.A O no hydrogen 2.809 N/A SER 434.A OG HIS 435.A ND1 no hydrogen 2.883 N/A SER 434.A OG SER 459.A OG no hydrogen 3.322 N/A HIS 435.A N SER 459.A O no hydrogen 3.131 N/A ASN 436.A ND2 LEU 409.A O no hydrogen 3.386 N/A ASN 436.A ND2 LEU 433.A O no hydrogen 3.022 N/A SER 437.A N LEU 414.A O no hydrogen 2.780 N/A ILE 438.A N ASN 461.A OD1 no hydrogen 3.031 N/A SER 439.A N VAL 415.A O no hydrogen 3.151 N/A GLN 440.A NE2 ILE 417.A O no hydrogen 2.949 N/A ASN 443.A N GLN 446.A OE1 no hydrogen 3.281 N/A SER 445.A N GLN 446.A OE1 no hydrogen 3.099 N/A GLN 446.A N GLU 473.A OE2 no hydrogen 2.828 N/A GLN 446.A NE2 ASN 443.A OD1 no hydrogen 3.092 N/A PHE 447.A N GLU 473.A OE2 no hydrogen 2.724 N/A LEU 450.A N PHE 447.A O no hydrogen 3.051 N/A THR 451.A N PRO 449.A O no hydrogen 2.830 N/A SER 452.A OG SER 426.A O no hydrogen 2.696 N/A LEU 453.A N LEU 450.A O no hydrogen 3.414 N/A ARG 454.A N GLN 429.A O no hydrogen 2.639 N/A ARG 454.A NE GLN 429.A OE1 no hydrogen 3.127 N/A ARG 454.A NH2 GLN 429.A OE1 no hydrogen 2.752 N/A VAL 455.A N GLN 429.A O no hydrogen 2.850 N/A LEU 456.A N ALA 479.A O no hydrogen 3.060 N/A ASP 457.A N LEU 431.A O no hydrogen 3.026 N/A LEU 458.A N ASP 481.A O no hydrogen 2.818 N/A SER 459.A N ASP 457.A OD1 no hydrogen 2.862 N/A SER 459.A OG SER 434.A OG no hydrogen 3.322 N/A SER 459.A OG ASP 457.A OD1 no hydrogen 2.525 N/A HIS 460.A N SER 483.A O no hydrogen 2.947 N/A ASN 461.A N TYR 484.A O no hydrogen 3.171 N/A ASN 461.A ND2 LEU 433.A O no hydrogen 2.998 N/A ASN 461.A ND2 LEU 458.A O no hydrogen 3.249 N/A LYS 462.A N ILE 438.A O no hydrogen 2.828 N/A LYS 462.A NZ GLN 487.A OE1 no hydrogen 2.736 N/A LEU 463.A N ASN 485.A OD1 no hydrogen 2.876 N/A ASP 464.A N GLN 440.A O no hydrogen 3.346 N/A ARG 469.A N HIS 467.A ND1 no hydrogen 3.355 N/A SER 470.A OG VAL 442.A O no hydrogen 2.822 N/A SER 470.A OG HIS 467.A O no hydrogen 2.948 N/A GLU 473.A N GLU 473.A OE1 no hydrogen 2.742 N/A LEU 474.A N PHE 471.A O no hydrogen 3.059 N/A LEU 477.A N LEU 474.A O no hydrogen 3.255 N/A GLU 478.A N ARG 454.A O no hydrogen 3.023 N/A ALA 479.A N ARG 454.A O no hydrogen 3.095 N/A LEU 480.A N TYR 509.A O no hydrogen 2.865 N/A ASP 481.A N LEU 456.A O no hydrogen 3.064 N/A LEU 482.A N SER 511.A O no hydrogen 2.771 N/A SER 483.A N ASP 481.A OD1 no hydrogen 3.023 N/A SER 483.A OG ASP 481.A OD1 no hydrogen 2.583 N/A TYR 484.A N ALA 513.A O no hydrogen 3.058 N/A ASN 485.A ND2 LEU 458.A O no hydrogen 3.209 N/A ASN 485.A ND2 LEU 482.A O no hydrogen 3.518 N/A ASN 485.A ND2 SER 483.A O no hydrogen 2.920 N/A SER 490.A N SER 486.A O no hydrogen 2.726 N/A SER 490.A OG SER 486.A O no hydrogen 2.671 N/A SER 490.A OG ASN 515.A O no hydrogen 3.570 N/A MET 491.A N PRO 488.A O no hydrogen 3.187 N/A HIS 496.A N ARG 520.A O no hydrogen 2.821 N/A ASN 497.A N LEU 465.A O no hydrogen 3.343 N/A ASN 497.A ND2 TYR 466.A O no hydrogen 3.666 N/A LEU 498.A N SER 522.A OG no hydrogen 2.766 N/A SER 499.A N ASN 497.A OD1 no hydrogen 2.925 N/A SER 499.A OG ASN 497.A OD1 no hydrogen 2.662 N/A ALA 502.A N SER 499.A O no hydrogen 2.890 N/A GLN 503.A N PHE 500.A O no hydrogen 2.927 N/A LEU 504.A N VAL 501.A O no hydrogen 3.286 N/A SER 506.A OG PRO 475.A O no hydrogen 2.624 N/A SER 506.A OG LEU 477.A O no hydrogen 3.244 N/A LEU 507.A N LEU 504.A O no hydrogen 3.347 N/A ARG 508.A N GLU 478.A O no hydrogen 2.629 N/A ARG 508.A NH1 SER 529.A O no hydrogen 3.551 N/A TYR 509.A N GLU 478.A O no hydrogen 2.928 N/A LEU 510.A N ALA 532.A O no hydrogen 3.026 N/A SER 511.A N LEU 480.A O no hydrogen 2.966 N/A LEU 512.A N ASP 534.A O no hydrogen 2.817 N/A ALA 513.A N SER 511.A OG no hydrogen 3.406 N/A HIS 514.A N SER 536.A O no hydrogen 2.700 N/A ASN 515.A ND2 LEU 482.A O no hydrogen 3.339 N/A GLY 516.A N GLY 537.A O no hydrogen 3.328 N/A HIS 518.A ND1 GLY 516.A O no hydrogen 3.038 N/A HIS 518.A NE2 GLN 492.A OE1 no hydrogen 3.039 N/A VAL 521.A N TYR 550.A OH no hydrogen 3.180 N/A SER 522.A N HIS 496.A O no hydrogen 3.253 N/A SER 522.A OG ASN 497.A OD1 no hydrogen 3.442 N/A GLN 523.A NE2 LEU 549.A O no hydrogen 2.885 N/A LEU 525.A N PHE 553.A O no hydrogen 2.800 N/A SER 527.A N GLY 556.A O no hydrogen 3.084 N/A SER 529.A OG PRO 505.A O no hydrogen 2.947 N/A SER 529.A OG LEU 507.A O no hydrogen 2.986 N/A LEU 530.A N SER 527.A OG no hydrogen 3.002 N/A ARG 531.A N ARG 508.A O no hydrogen 2.824 N/A ALA 532.A N ARG 508.A O no hydrogen 2.994 N/A LEU 533.A N GLN 562.A O no hydrogen 3.048 N/A ASP 534.A N LEU 510.A O no hydrogen 2.977 N/A PHE 535.A N ASP 564.A O no hydrogen 2.797 N/A SER 536.A N ASP 534.A OD1 no hydrogen 3.117 N/A SER 536.A OG ASP 534.A OD1 no hydrogen 2.910 N/A GLY 537.A N SER 566.A O no hydrogen 3.127 N/A ASN 538.A ND2 LEU 512.A O no hydrogen 3.529 N/A SER 539.A N ILE 517.A O no hydrogen 2.831 N/A LEU 540.A N ASN 568.A OD1 no hydrogen 2.950 N/A SER 541.A N ASN 568.A O no hydrogen 3.366 N/A SER 541.A OG HIS 569.A O no hydrogen 3.106 N/A MET 543.A N SER 539.A O no hydrogen 3.239 N/A TRP 544.A N LEU 540.A O no hydrogen 2.856 N/A TRP 544.A NE1 TYR 550.A O no hydrogen 2.737 N/A ALA 545.A N GLN 542.A O no hydrogen 3.204 N/A GLU 546.A N MET 543.A O no hydrogen 3.385 N/A GLY 547.A N ALA 545.A O no hydrogen 2.849 N/A TYR 550.A OH VAL 521.A O no hydrogen 3.170 N/A LEU 551.A N ASP 548.A O no hydrogen 3.137 N/A LEU 557.A N PHE 554.A O no hydrogen 2.847 N/A ARG 558.A N SER 527.A O no hydrogen 3.175 N/A LEU 560.A N LEU 557.A O no hydrogen 3.436 N/A VAL 561.A N ARG 531.A O no hydrogen 2.776 N/A GLN 562.A N ARG 531.A O no hydrogen 2.906 N/A LEU 563.A N GLN 587.A O no hydrogen 3.018 N/A ASP 564.A N LEU 533.A O no hydrogen 2.976 N/A LEU 565.A N ARG 589.A O no hydrogen 2.856 N/A SER 566.A N ASP 564.A OD1 no hydrogen 3.027 N/A SER 566.A OG ASP 564.A OD1 no hydrogen 2.710 N/A GLU 567.A N ARG 591.A O no hydrogen 2.879 N/A ASN 568.A N ASN 593.A OD1 no hydrogen 2.766 N/A ASN 568.A ND2 PHE 535.A O no hydrogen 2.818 N/A ASN 568.A ND2 SER 566.A O no hydrogen 3.021 N/A LEU 570.A N ASN 593.A OD1 no hydrogen 3.017 N/A LEU 574.A N HIS 577.A ND1 no hydrogen 3.327 N/A HIS 577.A N LEU 574.A O no hydrogen 3.210 N/A LEU 578.A N LEU 574.A O no hydrogen 3.461 N/A ASP 579.A N PRO 575.A O no hydrogen 2.853 N/A ASN 580.A N ARG 576.A O no hydrogen 3.233 N/A ASN 580.A N HIS 577.A O no hydrogen 3.149 N/A LEU 581.A N LEU 578.A O no hydrogen 3.301 N/A LYS 583.A NZ ASP 579.A O no hydrogen 3.342 N/A LYS 583.A NZ ASP 579.A OD1 no hydrogen 3.224 N/A LYS 583.A NZ VAL 605.A O no hydrogen 3.014 N/A SER 584.A OG ARG 558.A O no hydrogen 2.950 N/A SER 584.A OG LEU 560.A O no hydrogen 2.805 N/A LEU 585.A N PRO 582.A O no hydrogen 3.343 N/A ARG 586.A N VAL 561.A O no hydrogen 2.775 N/A GLN 587.A N VAL 561.A O no hydrogen 2.919 N/A LEU 588.A N ALA 611.A O no hydrogen 2.903 N/A ARG 589.A N LEU 563.A O no hydrogen 3.056 N/A LEU 590.A N ASP 613.A O no hydrogen 2.717 N/A ARG 591.A NH1 ASP 613.A OD2 no hydrogen 2.866 N/A ARG 591.A NH1 ASP 637.A OD2 no hydrogen 3.013 N/A ASP 592.A N ALA 615.A O no hydrogen 2.746 N/A ASN 593.A ND2 LEU 565.A O no hydrogen 3.003 N/A ASN 593.A ND2 LEU 590.A O no hydrogen 3.129 N/A ASN 594.A N LEU 570.A O no hydrogen 2.992 N/A LEU 595.A N ASN 617.A OD1 no hydrogen 3.060 N/A SER 601.A OG ASN 599.A OD1 no hydrogen 2.718 N/A SER 602.A OG ASN 599.A O no hydrogen 2.712 N/A LEU 603.A N TRP 600.A O no hydrogen 3.083 N/A THR 604.A N SER 601.A O no hydrogen 3.016 N/A VAL 605.A N SER 602.A O no hydrogen 3.202 N/A LEU 606.A N LEU 603.A O no hydrogen 2.902 N/A LEU 609.A N LEU 606.A O no hydrogen 3.157 N/A GLU 610.A N ARG 586.A O no hydrogen 2.762 N/A ALA 611.A N ARG 586.A O no hydrogen 2.857 N/A LEU 612.A N LYS 635.A O no hydrogen 2.989 N/A ASP 613.A N LEU 588.A O no hydrogen 3.254 N/A LEU 614.A N ASP 637.A O no hydrogen 2.603 N/A ALA 615.A N ASP 613.A OD1 no hydrogen 3.205 N/A GLY 616.A N SER 639.A O no hydrogen 2.910 N/A ASN 617.A ND2 LEU 590.A O no hydrogen 2.917 N/A ASN 617.A ND2 LEU 614.A O no hydrogen 3.018 N/A ASN 617.A ND2 ALA 615.A O no hydrogen 3.484 N/A GLN 618.A N LEU 595.A O no hydrogen 2.860 N/A LEU 619.A N ASN 641.A OD1 no hydrogen 3.054 N/A LYS 620.A NZ GLN 618.A O no hydrogen 2.971 N/A LEU 622.A N PHE 645.A O no hydrogen 3.070 N/A LEU 627.A N PHE 650.A O no hydrogen 3.081 N/A GLN 634.A N GLU 610.A O no hydrogen 2.738 N/A LYS 635.A N GLU 610.A O no hydrogen 3.015 N/A LYS 635.A NZ GLU 659.A OE2 no hydrogen 3.536 N/A LEU 636.A N GLU 659.A O no hydrogen 3.079 N/A ASP 637.A N LEU 612.A O no hydrogen 3.039 N/A VAL 638.A N ASN 661.A O no hydrogen 3.111 N/A SER 639.A N ASP 637.A OD1 no hydrogen 3.122 N/A SER 639.A OG ASP 637.A OD1 no hydrogen 2.932 N/A SER 640.A N SER 663.A O no hydrogen 2.892 N/A ASN 641.A ND2 LEU 614.A O no hydrogen 3.080 N/A ASN 641.A ND2 VAL 638.A O no hydrogen 2.967 N/A ASN 641.A ND2 SER 639.A O no hydrogen 3.081 N/A SER 642.A N LEU 619.A O no hydrogen 2.936 N/A ILE 643.A N ASN 665.A OD1 no hydrogen 3.096 N/A GLY 644.A N LYS 620.A O no hydrogen 2.685 N/A ILE 647.A N LEU 622.A O no hydrogen 2.843 N/A GLY 649.A N SER 673.A O no hydrogen 2.692 N/A PHE 650.A N ILE 647.A O no hydrogen 3.237 N/A PHE 651.A N TRP 674.A O no hydrogen 2.894 N/A ARG 653.A NH1 LEU 627.A O no hydrogen 2.683 N/A ALA 654.A N PHE 651.A O no hydrogen 2.651 N/A THR 655.A N ARG 653.A O no hydrogen 2.696 N/A LEU 657.A N ALA 654.A O no hydrogen 3.100 N/A ILE 658.A N GLN 634.A O no hydrogen 2.839 N/A GLU 659.A N GLN 634.A O no hydrogen 3.013 N/A LEU 660.A N ILE 682.A O no hydrogen 2.786 N/A ASN 661.A N LEU 636.A O no hydrogen 3.083 N/A LEU 662.A N ASP 684.A O no hydrogen 2.659 N/A SER 663.A N ASN 661.A OD1 no hydrogen 3.150 N/A SER 663.A OG ASN 661.A OD1 no hydrogen 3.124 N/A ALA 664.A N SER 686.A O no hydrogen 2.825 N/A ASN 665.A N ASN 688.A OD1 no hydrogen 2.776 N/A ASN 665.A ND2 VAL 638.A O no hydrogen 3.119 N/A ASN 665.A ND2 LEU 662.A O no hydrogen 2.869 N/A ALA 666.A N ILE 643.A O no hydrogen 2.827 N/A SER 673.A N ASP 671.A OD1 no hydrogen 2.883 N/A SER 673.A OG ASP 671.A OD1 no hydrogen 2.889 N/A TRP 674.A N ASP 671.A O no hydrogen 3.474 N/A PHE 675.A N PRO 672.A O no hydrogen 2.755 N/A LEU 680.A N ALA 677.A O no hydrogen 2.499 N/A LYS 681.A N ILE 658.A O no hydrogen 2.905 N/A ILE 682.A N ILE 658.A O no hydrogen 2.998 N/A ASP 684.A N LEU 660.A O no hydrogen 3.000 N/A SER 686.A OG ASP 684.A OD1 no hydrogen 2.521 N/A ASN 688.A ND2 LEU 662.A O no hydrogen 3.116 N/A LEU 690.A N ASN 688.A O no hydrogen 2.561 N/A HIS 691.A N LYS 668.A O no hydrogen 2.853 N/A CYS 692.A SG LEU 690.A O no hydrogen 3.351 N/A CYS 692.A SG SER 712.A O no hydrogen 3.693 N/A LEU 699.A N PHE 695.A O no hydrogen 2.555 N/A LEU 700.A N ASP 697.A O no hydrogen 3.124 N/A GLU 701.A N ASP 697.A O no hydrogen 2.941 N/A ARG 702.A N PHE 698.A O no hydrogen 3.143 N/A ARG 702.A NE LEU 680.A O no hydrogen 3.052 N/A ARG 702.A NH2 LEU 680.A O no hydrogen 2.727 N/A THR 709.A OG1 CYS 710.A O no hydrogen 2.835 N/A GLY 711.A N LEU 690.A O no hydrogen 2.878 N/A SER 712.A OG GLY 711.A O no hydrogen 2.970 N/A